Strategic Multiscale Framework For Materials and Industry

Strategic Multiscale Framework
A New Multiscale Science - Engineering Environment For Technology Innovation, Engineering and Manufacturing
Alessandro Formica March 2014
TABLE OF CONTENTS
1. Multiscale and The Future of Technology Innovation, Engineering and Manufacturing... pag. 3 2. Strategic Multiscale Framework Architecture.. pag. 7 3. Integrated Multiscale Science - Engineering Framework.. pag. 9 3.1 Architecture. pag. 9 3.2 Multiscale Data, Information and Knowledge Analysis and Management Systempag. 10 3.3 Multiscale Science Engineering Information Space. pag. 18 3.4 The Information Driven Concept and Analysis Scheme... pag. 24 3.5 Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers. pag. 27 3.6 Multiscale Multiresolution Multiphysics Testing, Experimentation and Sensing. pag. 31 3.7 Integrated Multiscale Science Engineering Analysis Strategies.. pag. 34
3.7.1 Methodologically Integrated Multiscale Science - Engineering Strategies pag. 34 3.7.2 Multiscale Science - Engineering Analysis Schemes. pag. 41
3.8 Designing the R&D and Engineering/Manufacturing Processes. pag. 44

3.8.1 R&D and Engineering/Manufacturing Process Architecture pag. 44 3.8.2 R&D and Engineering/Manufacturing Strategy Management System.. pag. 49
3.8.3 Integrated R&D and Engineering Analysis Strategies. pag. 51
4. Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSE-TPPD) Framework.. pag. 54 4.1 IMSE-TPPD Architecture and Overview pag. 54 4.2 Multiscale Multidisciplinary Science Engineering Cyber Extended Enterprise Framework. pag. 55 4.3 Computer Aided R&D, Engineering and Manufacturing /Processing (CARDE-MP) Framework.... pag. 56
4.3.1 Architecture.. pag. 56 4.3.2 Multiscale Manufacturing and Processing.. pag. 57 4.3.3 Multiscale Environmental Monitoring and Impact Analysis..... pag. 61
4.4 Multiscale Science Engineering Virtual Testing pag. 66 4.5 Virtual Multiscale Innovative Technology and Systems Development Framework pag. 69 4.6 Virtual Multiscale Life Cycle Engineering Framework..pag. 72 4.7 Multiscale Science Engineering Knowledge Integrator and Multiplier (KIM) . Computing Information Communication Infrastructural Framework....... pag. 74
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About the Author.. pag. 77
Alessandro Formica, March 2014
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1. Multiscale and The Future of Technology Innovation, Engineering and Manufacturing

Computational Multiscale has become a key asset in the R&D and Engineering World and an important element for Technology, Products and Processes Innovation. Multiscale methods helped to establish a bridge between Science and Engineering and the related domains of knowledge. Continuous advances in Computational Methods (Virtual Environments) and High Performance Computing provided the basis to define a new vision of Multiscale we refer to as "Strategic Multiscale. The term Strategic means that Multiscale Methodologies are applied not only to improve Modeling and Simulation Methods, but, also, to improve in a significant way R&D, Engineering and Manufacturing Organization, Structure and Strategies. Complexity of Products and Manufacturing Technologies and the related R&D and Engineering Processes is continuously increasing: researchers and engineers have to manage, integrate and coordinate an ever widening spectrum of analytical, computational, experimental, testing and sensing models, methods and techniques. A Fundamental Goal of the Strategic Multiscale Framework is to address this Challenge outlining a set of new concepts, methods and environment to Design the R&D and Engineering Process A Distinguishing Element of the Strategic Multiscale Framework is the new concept of Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Domains. This new methodological Science - Engineering Framework allows us to give a New Dimension and Meaning to the term Virtual as far as Engineering and Manufacturing are concerned. and introduce a New Field: Virtual Technology Innovation, which is the connection element between Science and Engineering/Manufacturing Domains. The Strategic Multiscale Framework defines a Comprehensive Theoretical and Methodological Environment to design and implement a New Generation of Virtual Science Based Technology Innovation, Engineering and Manufacturing Strategies where Multiscale Modeling and Simulation become Pivotal Elements of the R&D and Engineering Manufacturing World overcopming classical divisions between the Computational and the Experimental, Testing and Sensing Areas. A Fundamental Characteristics of the Strategic Multiscale Framework is to allow for a smooth, continuous, efficient, structured and timely transfer of scientific knowledge inside the Technology Development, Engineering and Manufacturing Processes and related Computational Frameworks. The concept of Multiscale as Unifying Paradigm is not new. In the mid of ninenties, several researchers in the Chemical Engineering Field (Sapre and Katzer, Leou and Ng, and Villermaux) and the author of this document (Alessandro Formica) highlighted the need of a comprehensive Multiscale approach as a key Strategy to establish a new Unifying Paradigm in order to enable a better correlation between scientidfic and engineering advances and related knowledge domains. Later on, Prof. Charpentier, past European Federation of Chemical Engineering President highlighted again the strategic relevance of this conceptual scheme.
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Multiscale as Unifying Paradigm for Chemical Engineering Prof. Charpentier, past European Federation of Chemical Engineering (EFCE) President, at the 6th World Congress of Chemical Engineering - Melbourne 2001, described his Vision of Multiscale as Strategic Paradigm for Chemical Engineering. We report his words: One key to survival in globalization of trade and competition, including needs and challenges, is the ability of chemical engineering to cope with the society and economic problems encountered in the chemical and related process industries. It appears that the necessary progress will be achieved via a multidisciplinary and time and length multiscale integrated approach to satisfy both the market requirements for specific end use properties and the environmental and society constraints of the industrial processes and the associated services. This concerns four main objectives for engineers and researchers: (a) total multiscale control of the process (or procedure) to increase selectivity and productivity, (b) design of novel equipment based on scientific principles and new methods of production: process intensification, (c) manufacturing end-use properties for product design: the triplet processus-product-process engineering, (d) implementation of multiscale application of computational modeling and simulation to real-life situations: from the molecular scale to the overall complex production scale. The definition of new Frameworks like the Integrated Computational Materials Engineering (ICME) and the Integrated Compuitational Materials Science Engineering (ICMSE) ones and the launch of the US Presidential Materials Genome Initiative (MGI) put the bases for a wide Industrial Application of Multiscale Science Engineering Integration Strategies and Frameworks The European Union FET FLAGSHIP Human Brain Preoject (HBP) is a demonstration of the Strategic Value of Multiscale Science Engineering Integration. To fully understand processes and related relationships characterizing Brain Functions and Functionalities over the whole range of scalea and Brain organization levels and the fundamental relationships with diseases, new (Multiscale) Computational, Experimental and Data Analysis Methodologies, Techniques and Strategies will be developed and applied. New (Multiscale) Methodologies will also be functional to develop a New Generation of (Multilevel) Non Von Neumann Computing Systems.Engineering and Manufacturing are quickly changing. Science has already become a key issue and value for both the fields and this trend will become increasingly important in the coming years . Many Projects have clearly demonstrated that, today, is possibile to use Multiscale (Science Engineering) Computational Methodologies to Design and Manufacture new inherently Hierarchical Multiscale Materials, Devicews, Components and Systems (Nano To Macro Integration).
Fig. 1 Multiscale (Nano To Macro) System Design (MIT)

Alessandro Formica, March 2014 All rights reserved
Multiscale Science Engineering Integration implies that we can not only define a Science Driven Engineering, but, also a Engineering Driven Science. Multiscale Computational Methodologies (Virtual Engineering and Manufacturing) should consider the impact of these global trends over their development, structure and related implementation strategies in order to define their Future.
It is to be highlighted that the awarding of the Nobel Prize in Chemistry to three scientists for the development of Multiscale Models for Complex Chemical Systems has helped to create the optimal intellectual and scientific context to introduce high level Projects and Initiatives in the Multiscale Science Engineering Integration field
The Royal Swedish Academy of Sciences has awarded the Nobel Prize in Chemistry for 2013 to Martin Karplus of Universit de Strasbourg, France and Harvard University, Cambridge, MA, USA; Michael Levitt of Stanford University School of Medicine, Stanford, CA, USA; and Arieh Warshel of the University of Southern California, Los Angeles, CA, USA "for the development of multiscale models for complex chemical systems
Strategic Multiscale Framework Goals: Defining a New Organization and Structure of the R&D and Engineering World: Designing the R&D and Engineering Process Architecture Defining a New Frontier for Virtual Worlds and Application Strategies: Virtual Multiscale Science Based Technology Innovation, Engineering and Manufacturing Easing knowledge transfer between the different stages of the R&D and Engineering/Manufacturing process Integrating and Strcuturine Data, Information and Knowledge from the Scientific and Engineering Worlds Defining new cooperation and partnering schemes among academy, research, and industry. In the new science-engineering context, engineering can become an important driver for science, overturning historic relationships and dependencies and putting the bases for a new way of doing science and engineering. Not only advances in science can be stimulated and driven by technology progress and the need to solve specific technological and engineering problems, but research strategies will be more and more influenced by technology roadmaps and vice versa. Putting the bases to define a new structure and organisation for the research and industrial world based, from an Infrastructural point of view, on a new generation of Multiscale Multidisciplinary Science Engineering Cyberinfrastructures and, from a methodological point of view, on the here described Framework to bridge the gap between disciplines and the different scientific and engineering approaches. Enabling new Technological Engineering Solutions (Multiscale Engineering: From Multiscale Analysis to Multiscale Design). New Frameworks enable the design of inherently Hierarchical Multiscale Systems (materials, structures components, products and processes) which is a fundamental condition to fully exploit in the industrial environment the potentialities of Nano and Micro Technologies.
In such a context it is possible to realize a real fusion between science-driven engineering and engineering-driven science
which represents a key goal of the Strategic view of multiscale.
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General References
David L. McDowell, Jitesh H. Panchal, Hae-Jin Choi. Carolyn Conner Seepersad, Janet K. Allen, Farrokh Mistree, 2010. Integrated Design of Multiscale, Multifunctional Materials and Products - Published by Elsevier . Oden , J.T. , Belytschko , T. , Fish , J. , Hughes , T.J.R. , Johnson , C. , Keyes , D. , Laub , A. , Petzold , L. , Srolovitz , D. , Yip , S. , 2006 . Simulation-based engineering science: Revolutionizing engineering science through simulation . In : A Report of the National Science Foundation Blue Ribbon Panel on SimulationBased Engineering Science . National Science Foundation : Arlington, VA . Olson , G.B. 1997 . Computational design of hierarchically structured materials . Science, 277 ( 5330 ) , 1237 1242 . Alessandro Formica. Fundamental R&D Trends in Academia and Research Centres and their Integration into Industrial Engineering Report drafted on behalf of European Space Agency, July 2000 Alessandro Formica, Multiscale Science Engineering Integration A New Frontier for Aeronautics, Space and Defense, Italian Association of Aeronautics and Astronautics (AIDAA), March 2003
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2. Strategic Multiscale Framework Architecture

Basic Conceptual, Theoretical and Methodological Framework
Integrated Multiscale Science Engineering Framework
Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSE-TPPD) Framework Analysis And Design of a New Generation of Materials, Devices Systems, and related Manufacturing Processes
The theoretical and methodological basis of the Strategic Multiscale Framework is constituted by the following key elements: The extension of the Model concept to the Experimentation, Testing and Sensing Fields giving a new meaning to the Virtual Engineering and Manufacturing concept and approach. In this context, a new Vision of Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domains has been defined. Multiscale Modeling and Simulation integrate the full spectrum of science and engineering methodological approaches and knowledge environments. This new Vision puts Computational Frameworks and High Performance Computing at the center of the R&D and Engineering/Manufacturing World even more than classical Virtual concepts and approaches. The Multiscale Science-Engineering Information Space concept to integrate data, information and knowledge from computational models and methods and experimental, testing and sensing models and techniques to develop, validate and apply Computational Models. Uncertainty Quantification (UQ) and Quantification of Margin of Uncertainties (QMU) have become critical issues as the relevance of Modeling and Simulation is continuously increasing. The Information Driven Analysis concept and scheme which, together with the Science Engineering Information Space concept is a key element to shape Integrated R&D and Engineering/Manufacturing Analysis and Design Strategies, following the Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers concept and application environment. New Multiscale Science Engineering Data, Information and Knowledge Management Systems based upon the Multiscale Maps concept New Multiscale Methods to Model, Simulate and Design the Technology Development and Engineering/Manufacturing Processes and Products Life Cycle: Virtual Multiscale Innovative Technology and Systems Development Framework and Virtual Multiscale Life - Cycle Engineering Framework and Environmental Impact Analysis
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The Strategic Multiscale Framework embodies the following Elements: Integrated Multiscale Science Engineering Framework Described in the Chapter 3 - which represents the theoretical, conceptual and methodological core. Key Elements: Multiscale Data, Information and Knowledge Analysis and Management System Multiscale Science Engineering Information Space Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers Multiscale Multiresolution Experimentation, Testing and Sensing Methodologically Integrated Multiscale Science Engineering Strategies The Information Driven Concept Multiscale Science - Engineering Analysis Schemes R&D and Engineering/Manufacturing Process Architecture R&D and Engineering Analysis and Design Strategy Management System Integrated R&D and Engineering Analysis Strategies Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSETPPD) Application Framework - Described in the Chapter 4 Multiscale Multidisciplinary Science Engineering Enterprise Framework Computer Aided R&D, Engineering and Manufacturing/Processing (CARDE-MP) Framework which implements the Integrated Multiscale Science Engineering Framework
Multiscale Manufacturing and Processing Multiscale Environmental Monitoring and Impact Analysis
Multiscale Science Engineering Virtual Testing Virtual Multiscale Innovative Technology and Systems Development Framework Virtual Multiscale Life Cycle Engineering Framework The Multiscale Knowledge Integrator And Multiplier Computing, Information and Communication (CIC) Infrastructural Framework
A distinguishing characteristics of the Strategic Multiscale Framework is that it can incorporate and take advantage of a wide range of existing Software Environments in many areas: from Data Analysis, Workflow Management, Statistics, Graphics, Single and Multiscale Computational Codes to name a few.
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3. Integrated Multiscale Science - Engineering Framework

3.1 Architecture
Main elements of the Conceptual and Methodological Framework are: Multiscale Science - Engineering Data, Information and Knowledge Analysis and Management System Multiscale Science Engineering Information Space Information Driven Multiscale Science Engineering Analysis Concept and Schemes Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domains The role of Multiscale as Unifying Paradigm and Language for Science and Engineering was discussed by Alessandro Formica, some years ago in the book - Computational Stochastic Mechanics In a MetaComputing Perspective December 1997 - Edited by J. Marczyk pag. 29 Article: A Science Based Multiscale Approach to Engineering Stochastic Simulations. Multiscale Multiresolution Multiphysics Testing, Experimentation and Sensing Methodologically Integrated Multiscale Science Engineering Methodologies New Methods, Tools and Strategies to Design the R&D and Engineering Analysis Process Integrated Multiscale R&D and Engineering Analysis Strategies
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3.2 Multiscale Science Engineering Data, Information and Knowledge Management System
A critical issue for a wide diffusion of the science based engineering analysis and design approach in the industrial field is the availability of Software Environments (CAD/CAE/CAM/CAP) specifically conceived for multiscale science engineering strategies and applications. Today, notwithstanding the growing diffusion of multiscale inside university, research, and even industry, software environments (CAD/CAE/CAM/CAP) specifically conceived to implement multiscale science-engineering integration visions and strategies are still in their starting phase. The lack of software environments specifically conceived to implement a multiscale science-engineering integration strategy represents a fundamental hurdle to a large scale implementation of multiscale inside innovative technology development and engineering/manufacturing/processing fields. The new Data, Information and Knowledge Management System proposed in this Document rests on the concepts of: Multiscale Multiphysics Multiresolution Maps Multiscale Multi Abstraction Level Knowledge Domains The Multiscale Multiresolution Maps here described is an extension of the Map concept discussed by Alessandro Formica in the Multiscale Science Engineering Integration: A new Frontier for Aeronautics, Space and Defense White Book published on March 2003 by Italian Association of Aeronautics and Astronautics. Multiscale Multiresolution Maps are Multiscale Multiresolution Information and Knowledge Structures describing complex networks of relationships and interdependencies between a large spectrum of Information Variables characterizing Systems Structure and Dynamics. Relationships and interdependencies between Information Variables are worked out applying several mathematical techniques such as multivariate analyses and neural networks [available inside a specific Data Analysis Module. This Module correlates sets of Data to Data Sources, Tasks and Integrated Strategy Maps] to raw data coming from a wide range of Data Sources (analytical and computational models, data bases, experimentation, characterization, testing and sensing). covering the full spectrum of scales (from atomistic to macro) and the full spectrum of disciplines. Multiscale Maps structure Data and turn Data into Information. Maps are organized in a hierarchical way: A Map can incorporate a set of lower level Maps. For instance: a Multiscale Physical Map linked to a specific Process (Hypervelocity Impact, Combustion or Explosion, for instance) can be constructed by assembling a range of Multiscale Physical Maps describing more elementary physical (chemical and biochemical) phenomena (fracture, fragmentation, phase change,..) related to a specific material or component of a System. Accordingly any Element represented inside a Map can be decomposed into more elementary Elements. Representations can be static and dynamic. Multiscale Maps incorporate error analyses and uncertainty quantification methods. Multiscale Maps make an extensive use of Multiscale Multiresolution Static and Dynamic Graphic Representations. Multiscale Multi Abstraction Knowledge Domains are a further organization level is represented by Knowledge Domain which are Structures that can aggregate several Maps related to one or more scales of the same typology or of different typologies related to the same or different operational conditions, analysis and design hypotheses and solutions. Maps can be set up and integrated inside a Knowledge Domain applying several aggregation and clustering schemes. Knowledge Domains can be organized in a Hierarchical Way. Knowledge Domains can be related to specific R&D and Engineering/Manufacturing Tasks and Phases. They can track Knowledge structure and organization as we transition from a R&D and Engineering Phase and Task to another one. Multiscale Maps and Multiscale Knowledge Domains allow for an effective insertion and management of the more fundamental knowledge (basic and applied research) inside the sequence of Technology Development and Engineering phases. At each step/phase of the R&D and Engineering Process , Multiscale Maps and Knowledge Domains are built taking full advantage of the knowledge get in the previous step/phase.
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Several typologies of Maps are foreseen which describe relationships among variables, structures and processes:
A) R&D And Engineering (for systems of any kind of complexity)

Multiscale Analysis and Design Variable Maps tracking relationships between Analysis and Design Variables . Multiscale Analysis and Design Variable Maps are built applying available knowledge and current working hypotheses at the drafting time; statistical analysis schemes (multivariate, PCA) or other techniques like neural networks to data coming from several sources: data bases, computation, analytical theories, experimentation, testing, sensing. Data integration and fusion techniques are applied to reconcile and integrate data coming from different sources characterized by a range of accuracy and reliability degrees. Multiscale Analysis and Design Variable Maps describe relationships between variables and parameters used to characterize Systems Behaviour over a full range of space and time scales and disciplines and over a range of operational conditions..
Multiscale Physics Maps identifying the Physical, Chemical and Biochemical Phenomena and Processes considered fundamental to carry out a specific task and describe relationships and interdependencies among them. The following table illustrates a textual version of a simplified Physics Map: Multiscale Materials (Tantalum) Characterization (Livermore) Physics Map Atomistic length-scale modeling input: interatomic potentials (calculated with quantum mechanics) output: dislocation generation, motion and interaction with other defects scale physics: properties of individual defects (dislocations, vacancies, interstitials, dopants), defects mobility, diffusion, clusters, surface reactions Microscale length scale modeling input: dislocation generation, motion and interaction with other defects output: yield and hardening rules for single crystals scale physics : defect interactions, precipitates, dislocation reactions, the early stages of void growth, grain boundaries and the interactions between dislocations and grain boundaries Mesoscale Modeling input: yield and hardening rules for single crystals output: mesoscale models of polycrystal aggregates (100s of grains) scale physics : shear band, dislocation walls, collective dynamics of microstructure, interface diffusion, grain coarsening, recrystallization, crack growth, fracture Mesoscale Homogenization / Continuum Model input: mesoscale models of polycrystal aggregates (100s of grains) output: pressure and strain path dependent yield surface for continuum code hardening. scale physics : polycrystal plasticity, temperature fields, hydrodynamic motion, textures, microstructures homogenization, anisotropic hardening.
Multiscale Architectural/Structural Maps describing relationships between the hierarchy of SubSystems, Components, Devices, Materials and Elementary Structures constituting an Engineering System (or System of Systems) of arbitrary level of complexity. This kind of Maps incorporates a special set of Elements referred to as Interfaces which describe interconnections among Architectural/Structural constituents inside a scale and among different scales. Engineering System Multiscale Monitoring and Control Maps describing (Hierarchical) Networks of Sensors and Control Devices and Systems and their relationships with Elements to be monitored and controlled (described in the Multiresolution Multiscale Architectural/Structural Maps). Transformation Processes induced by control actions are described thanks to Multiresolution Multiscale Physics Maps and Multiresolution Multiscale Architectural/Structural Maps. This kind of Maps describes the quantities monitored and controlled, time and space monitoring and control resolution, sensing and control devices characteristics and operational schemes
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Multiscale Functional Maps describing relationships Architectural/Structural Elements and Functions performed
between
Engineering
System
Multiscale Requirements - Performance Property Structure Maps describing relationships between Requirements, Performance, Structural Elements and related Properties over the whole scales and representation levels. Multiscale Performance Property Structure Manufacturing/Processing Maps describing the impact of Processing techniques over the network of Performance - Structure - Property relationships over the whole scales and representation levels.
Fig. 2 Physics Map Example (from Overview of the Fusion Materials Sciences Program Presented by S.J. Zinkle, Oak Ridge National Lab Fusion Energy Sciences Advisory Committee Meeting February 27, 2001 Gaithersburg) This figure depicts a Information Structure like the proposed Multiscale Physics Maps. In this case the Multiscale Physics Map describes relationships between physical phenomena and chemical/physical structural transformations linked to Radiation Damage Process for Metals A cluster of Multiscale Physics Maps, linked to specific physics phenomena or processes, architectural element and operational conditions, can define what can be called a Physical (Chemical and Biochemical) Phenomena and Processes Knowledge Domain. Knowledge Domains are managed by the Multiscale Science Engineering Data, Information and Knowledge Management System.
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Multiscale Multilevel Architectural and Structural Maps Any System of arbitrary degree of complexity (an air transportation system, an energy production system, an aerospace vehicle, a chemical plant, a structure, a nanotechnology device, a nanostructured material), can be recursively broken down in a set of simpler (macro, meso, micro, nano and atomistic) Architectural and Structural Elements and Interface/Interconnection Elements. Interconnections and Integration develop along two lines: Horizontal (same scale) and Vertical (different scales). We distinguish two kinds of Systems: Technological Systems and Natural Systems where the Technological System (or System of Systems) operates.
Fig. 3 Two dimensional multilevel multiscale view of an aircraft. (from the Validation Pyramid and the failure of the A-380 wing Presentation given by I. Babuska (ICES, The University of Texas at Austin), F. Nobile (MOX, Politecnico di Milano, Italy), R. Tempone (SCS and Dep. of Mathematics, Florida State University, Tallahassee) in the context of the Workshop Mathematical Methods for V&V SANDIA , Albuquerque, August 14-16, 2007 Three new features distinguish this kind of Maps and related Multiscale Multilevel Science Engineering CAD Systems: Multiscale Multilevel Architectural/Structural Element Networks Analysis and Description. New CAD Systems should describe the full set of multiscale multilevel (inside a single scale) Architectural and Structural Elements of a System (or System of Systems) - including the Operational Environment and related interconnections. Interconnection Elements describe two way interactions between Elements. This feature is of particular importance for System Engineering analyses and if we like to assess the impact of the System upon the environment where it operates and the effects of the Environment on the System for the whole Life Cycle and the whole spectrum of operational conditions including extreme ones and accidents. Zooming and Selected Multilevel Multiscale view capabilities. Users should have the possibility to select a full spectrum of views at different levels of resolution, scales and abstraction ways. Multiple views should be visualized in order not to lose connections among different levels of abstraction, resolution and scales. The zooming function should allow users to transition from a levels of abstraction, levels and scales in an interactive way. Multi Abstraction Levels: we can select groups (clusters) of architectural/structural elements of different typologies over a spectrum of scales and resolution levels as needed to carry out specific analyses and design tasks.
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This kind of Maps gives a comprehensive picture of the:
Architectural and Structural and Interface/Interconnection Elements (from macro to atomic levels as
needed) which constitute a system and its related Horizontal and Vertical organization: from the System (or System of Systems) down to elementary structures (atoms/molecules, groups of atoms and molecules) Materials, Energy, Chemical and Biochemical Substances Flow (pollutants emitted toward the Natural System for instance,) among the Elements constituting the System or System of Systems and Design Variables and Architectural and Structural Elements
Analysis and Design Variables their relationships and interdependencies and links between Analysis Properties of the full set of Architectural and Structural Elements Performance and Requirements for the full set of Architectural and Structural Elements. Performance are
calculated and/or measured during the R&D and Engineering Process while, Requirements are defined and refined by designers. Architectural and Structural Maps evolve along the Technology Development and Engineering Analysis and Design Process thanks to Analysis and Design Modules and Strategy Modules. Maps are built using the available knowledge; as analysis and design activities proceed, they are interactively modified. Different Maps can be linked to different Architectural Hypotheses and Decisions for different purposes and tasks during the R&D and Engineering Process. Maps are recorded, organized and managed in specific Architectural and Structural Map Data Bases. Architectural and Structural Elements Maps are related to: Functional Maps Monitoring and Control Maps Physics Process Maps
Multiscale Monitoring and Control Maps This kind of Maps gives a comprehensive picture of the Multiscale Multilevel Networks of Monitoring and Control Devices and Systems their interconnection schemes and their functionalities and operational modes. Multiscale Monitoring and Control Maps are related to: Architectural and Structural Maps Physics Maps (Physical and Bio-Chemical Phenomena and Processes Monitored and effects of Control actions) Multiscale Functional Maps We define two types of Functional Maps. The first one, which can be called Direct Functional Map, describes Functions carried out by the System and the full hierarchy of its Elements. Direct Functional Maps link Architectural/Structural Elements to Functions and they describe what functions are performed by Architectural/Structural Elements. The second one, which can be called Inverse Functional Map Architectural/Structural Elements over the full spectrum of hierarchy levels relates Functions to
Functional Maps are linked to: Architectural and Structural Maps Physics and Processes Maps
Functional Maps defined during the Technology Development and Engineering Process are recorded, organized and managed by specific Functional Maps Data Bases. Maps are indexed in such a way as to relate them to specific R&D and Engineering Phases and Tasks.
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Multiscale Multiphysics Maps We use the term Physics to indicate a more or less complex cluster of elementary physical and biochemical phenomena/processes occurring inside a scale or developing over a spectrum of scales. Phenomena/Processes are, for instance, failure, stress corrosion cracking erosion, phase transformation, A Process can be broken down in a full hierarchy of more elementary Processes and Phenomena. The distinction between processes and phenomena is, to some extent, arbitrary. It is a matter of opportunity. Phenomena and Processes can concern more Architectural/Structural Elements. Physics Maps are linked to: Architectural/ Structural and Functional Maps. Monitoring and Control Maps Requirements - Performance Property Structure Maps Performance Property Structure - Processing Maps Multiscale Manufacturing Systems any level of the hierarchy - Operational Modes Environmental Emission Maps the full set of physical (biological and chemical, as needed) phenomena and processes which rule the dynamics of Architectural/Structural Elements (Interconnection Elements included) of a System under analysis/design for a specific Task and their interactions inside a scale and over different scales. The full hierarchy of (geometrical, physical and biochemical) Architectural/Structural transformations related to a specific set of Phenomena/Processes linked to a specific R&D and Engineering Task . Relationships between the full hierarchy of processes, phenomena and Architectural/Structural transformations for a specific Task Maps are indexed in such a way as to relate them to specific R&D and Engineering Phases and Tasks. Physics Maps are linked to Multiscale Methodologically Integrated Strategy Maps described in the Paragraph 3.8.1. Multiscale Methodologically Integrated Strategy Maps describe what Computational Models, Experimentation, Testing and Sensing Techniques/Procedures are applied to analyze specific physical phenomena/processes and their interconnection networks, sequence of execution and data. Physics Maps are built using the available knowledge, as R&D and Engineering proceed, they are interactively modified. Physics Maps defined during the R&D and Engineering Process are recorded, organized and managed by specific Physics Maps Data Base. Integration of the previously defined Multiscale Maps allow to correlate: functions to physical phenomena and processes (linking Multiscale Functional Maps with Multiscale Physics Maps Properties (Multiscale Architectural/Structural Maps) to Physics (Multiscale Physics Maps)
Physics Maps are software environments which describe :
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Multiscale Performance Properties Structure Processing Maps The definition of the Performance Properties Structure Processing relationships has become a cornerstone of the modern Materials Science and Engineering and R&D and Engineering at all. Prof. Gregory Olson, Northwestern University has been one of the pioneers of this strategy. Prof. Olson described this approach in a Science Magazine article: Vol. 277 (29 August 1997) pp. 1237-1242.
Fig. 4 (from Questek) illustrates the application of a Performance Properties - Structure Processing Map to the design of new alloys. Performance Properties Structure - Processing Maps are indexed in such a way as to relate them to specific R&D and Engineering, Phases and Tasks. Performance Properties - Processing Structure Maps defined during the R&D and Engineering Process for different purposes and tasks are organized and recorded in the Performance Properties - Structure - Processing Map Data Bases The Multi Abstraction Level feature of the Maps can be seen in the figure: each box is a specific abstraction level. Each Box refer to a cluster of processes occurring over u spectrum of scales and resolution levels. This kind of software environments contribute to characterize and manage relationships between processing and manufacturing activities and the resulting architecture/structures These Maps identify : defects (typology, physical and chemical characteristics, density and distribution : statistical and deterministic analysis) linked to specific processes and manufacturing activities and steps bio chemical and structural features and transformations linked to specific processes and manufacturing conditions, procedures and technologies This kind of Maps are related to Multiscale Physics Maps
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B) Manufacturing and Processing

Multiscale Manufacturing and Processing Systems Architectural, Functional and Monitoring & Control Maps describing: the (multiscale/multilevel) architecture (hierarchical networks of units [from Plants to Cell, Robots and Machines/Tools] at different scales and complexity levels of any kind of Manufacturing/Processing Systems and related interconnections and interdependencies (material flow). At the highest abstraction level, a Unit can represent a whole Manufacturing/Processing Systems incorporating several Plants and other Elements. The representation scheme is recursive: A Unit can be decomposed into a network of simpler Units, a simpler Units can be, in turn, be decomposed into other networks of even more elementary Units over the whole hierarchy of scales and representation levels, as needed. the full spectrum of functions carried out by the units constituting Manufacturing/Processing Systems and their relationships and interdependencies. Multiscale Physics Maps and Multiscale Structural Maps are applied to describe physical, chemical and bio-chemical transformations and processes occurring at and over the full spectrum of Units. the (Hierarchical) networks of multiscale monitoring and control (M&C) devices and systems over the full spectrum of scales and levels This kind of Maps describes the quantities monitored and controlled, time and space resolution, sensing and control devices characteristics and operational schemes the (Hierarchical Network) of Inspection Systems, their Functions and Operational Modes Multiscale Multilevel Manufacturing Processes Execution Flow: this kind of Maps describes, for each specific Manufacturing Process of any level of complexity the execution flow (manufacturing/process sequence of steps) throughout the full set of Plants. Process Units, Cells, Machines/Robots,., the work performed at each step, the characteristics of the Unit, the structural/chemical/physical transformations worked out (also using Architectural/Structural Maps and Physics Maps), the inspections performed, the materials flow..
Multiscale Manufacturing Systems any level of the hierarchy - Operational Modes Environmental Emission Maps Theses Maps represent a new Generation of Maps specifically conceived to evaluate the impact on the Environment of Manufacturing/Processing Systems for a wide range of operational conditions and design solutions. Maps describe relationships among Manufacturing System (any level), its Operational Modes and related Emissions (any kind).
Multiscale Maps represents a key element of a new Multiscale Computer Aided Research, Development, Engineering (CARDE-MP) Software Systems. Main objectives:
Developing new schemes allowing for a more in-depth analysis and structuring of data, information and knowledge and related correlations and interdependencies Integrating the full spectrum of Data Sources (Data Bases, Analytical Theories, Computational Models, Experimentation , Testing and Sensing). The Information Space and the Modeling and Simulation as Knowledge Integrators and Multipliers concepts and methods can ease this kind of Integration Developing new CAD/CAE/CAM/CAP Environments specifically conceived to Design and Produce new Hierarchical Multiscale Nano To Macro Multifunctional Systems in the context of an Integrated Science Engineering Approach Multiscale Maps are indexed and related to specific R&D and Engineering Tasks and Phases, Design Hypotheses and Design Decisions and Operational Conditions. The Multiscale Science Engineering Data, Information and Knowledge Management System records, organizes and manages all the previously defined Maps and Knowledge Domains (Item A and Item B). Each Map and Knowledge Domain is characterized by a set of Tags which link it to a specific task, phase and operational conditions and analysis and design hypothesis inside the R&D and Engineering/Manufacturing Analysis and Design Process.
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3.3 Multiscale Science - Engineering Information Space

This concept was presented by Alessandro Formica in the Report Fundamental R&D Trends in Academia and Research Centres and Their Integration into Industrial Engineering (September 2000), drafted for European Space Agency (ESA). The Multiscale Science-Engineering Information Space is associated to any analytical, computational model/method, and experimental, testing and sensing procedure and technique applied to a specific task. The Multiscale Science-Engineering Information Space defines: what spectrum of information about physical/biological/chemical phenomena and processes at what level of accuracy and reliability (Uncertainty Quantification (UQ) and Quantification of Margin of Uncertainty (QMU))
can be get by a computational model or experimental/testing/sensing technique/procedure applied in a specific context for a specific task. A set of model variables characterize analytical and computational models. A set of method variables characterize the specific method applied to perform simulations. A set of system variables characterizes the system to be modeled and simulated or subjected to experimental, testing and sensing analyses. A set of experimental, testing and sensing variables characterizes experimental, testing and sensing techniques and procedures. The Science Engineering Information Space also applies to cluster of computational models and experimental/testing/sensing techniques/procedures linked through multiscale multiphysics coupling schemes. In this case we can define coupling scheme parameters which describe the method used to couple models and/or experimental/testing/sensing techniques/procedures. With the term system we refer to the system (materials, device, component,.) under analysis.. A set of variables describe the geometrical, biological, chemical and physical structure of the system. With the term Operational Environment, we refer to External Fields and Loading Conditions With the term model we refer to the mathematical/computational representation of the system under investigation. A set of variables characterize and describe the models (boundary conditions, external fields/loading conditions, space and time dimensions, discretization techniques, particles number and typology,.). In the proposed framework we extend the concept of Model to the Experimental/Testing/Sensing world as explained in the Paragraph 2.4 With the term method we refer to the specific deterministic and statistical analytical and computational method (Monte Carlo. Classical Molecular Dynamics, Quantum Molecular Dynamics, Density Functional Theory, Dislocations Dynamics, Cellular Automata,). With the term experimental/testing/sensing technique and procedure variables we refer to the variables which describe technical characteristics of the experimental and testing apparatus and the specific operational modes and conditions (globally referred to as procedure)
Information Space Construction To build the Information Space of a specific (single scale or multiscale) computational model with reference to a specific system and analysis task (fracture, delamination, oxidation,), we perform a set of simulations, varying in a systematic way parameters/variables which characterize the physical (chemical and biochemical) phenomena/processes of interest in the context of a specific task including external forces. Then, we validate computational models using a set of experiments, tests and sensing measures to track the boundaries of the Information Space and evaluate accuracy and reliability (Uncertainty Quantification UQ). Information Spaces can be built also for experimental, testing and sensing techniques and procedures. In this case a Cross Validation strategy is applied which foresee the comparison of a spectrum of experimentation, testing and sensing techniques. The next page Box synthetically describes the key role and significance played by new Verification & Validation Strategies (Uncertainty Quantification and Quantification of margin of Uncertainty) for the Computational field.
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The Predictivity and Validation Issues

The National Nuclear Security Program (NNSA), in the context of the Advanced Simulation and Computing (ASC) Initiative, established the Predictive Science Academic Alliance Program (PSAAP) focusing on the emerging field of predictive sciencethe application of verified and validated computational simulations to predict the behavior of complex systems where routine experiments are not feasible. The goal of these emerging disciplines is to enable scientists to make precise statements about the degree of confidence they have in their simulation-based predictions. Five PSAAP Centers have been created: California Institute of Technology: Center for the Predictive Modeling and Simulation of HighEnergy Density Dynamic Response of Materials; Purdue University: Center for Prediction of Reliability, Integrity and Survivability of Microsystems (PRISM); Stanford University: Center for Predictive Simulations of Multi-Physics Flow Phenomena with Application to Integrated Hypersonic Systems; University of Michigan: Center for Radiative Shock Hydrodynamics (CRASH); University of Texas at Austin: Center for Predictive Engineering and Computational Sciences (PECOS) The following text, drawn from the Presentation Can Complex Material Behavior be Predicted? Given by Prof. Michael Ortiz, Caltech PSAAP Center Director, at the DoE NNSA Stockpile Stewardship Graduate Fellowship Program Meeting Washington DC, July 14, 2009, illustrates objectives and approach underlying the general PSAAP Strategy and Methodology concerning Validation and Predictivity challenges: PSAAP Caltech High-Energy-Density Dynamic Response of Materials (Hypervelocity Impact Application Field) Center objective: rigorous certification of complex systems operating under extreme conditions. l Overarching Center objectives: Develop a multidisciplinary Predictive Science methodology focusing on high-energy-density dynamic response of materials Demonstrate Predictive Science by means of a concerted and highly integrated experimental, computational, and analytical effort that focuses on an overarching ASC-class problem: Hypervelocity normal and oblique impact at velocities up to 10km/s Overarching approach: A rigorous and novel Quantification of Margin of Uncertainty (QMU) methodology will drive and closely coordinate the experimental, computational, modeling, software development, verification and validation efforts within a Yearly Assessment format
Two issues deserve to be highlighted: The central role of the Uncertainty Quantification and Quantification of Margin of Uncertainty issues in the context of the Computational Models Validation effort to shape R&D and Engineering activities. This vision can be, to some extent, related to the previously illustrated concepts: Multiscale Science Engineering Information Space, Range of Validity and Information Driven R&D and Engineering Strategy The key role of Computational, Analytical and Experimental Efforts Integration. New (multiscale) experimental techniques and analytical (theoretical) developments are fundamental to develop and apply new and more powerful (predictive) computational models and strategies. The Vision is in line with our Methodologically Integrated R&D and Engineering approach
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The Information Space, should also include Multiscale Analysis and Design Variable and Multiscale Physics Maps worked out during the previously described construction process. It is possible to apply different schemes to build the Information Space for a specific task. For instance: fixing model and methodology variables and varying external conditions and/or system variables (typology and architecture of a material or device) fixing external conditions and system variables and varying model and/or methodology variables (for a molecular dynamics model: simulation time, force fields typology, number of particles,). any other possible combinations The Information Space, for each specific computational model/method (or cluster of models: multiscale multiphysics) applied to a specific task includes information about the computing resources needed to perform simulations and the experimental, testing and sensing techniques used to validate it Information Space Relevance Three considerations underlie the definition of the Multiscale Science Engineering Information Space concept and method: rationally correlating advances for models/methods and multiscale multiphysics coupling schemes with the capability of getting information thought to be important to carry out specific R&D and Engineering/Manufacturing tasks. rationally defining the role of models/methods and related multiscale multiphysics coupling schemes inside a more general R&D and Engineering analysis and design process and the interdependencies among different models, methods, techniques and coupling schemes. formally tracking and planning the development path (roadmap) for models, methods, techniques and related coupling schemes as linked to specific R&D and Engineering analysis and design tasks, and assessing the relative importance of the different models/methods and related coupling schemes to get some Information at a specific level of accuracy and reliability. We can consider an aerodynamic design task, for instance. The ability to run a 30/50-million grid points Navier Stokes simulation in the same lapse of time, or less, as a 1-million grid points simulation, is surely an important result from an engineering analysis and design point of view. But, what is the relative weight between model dimension and physics (turbulence) modeling as function of a particular task (calculation of aerodynamic coefficients, for instance) at a certain level of accuracy and reliability? In this way, can we get more reliable and accurate information instrumental to reducing cost and development time and introduce innovative technological solutions? The answer is not so straightforward. Turbulence plays a key role in flow dynamics phenomena of critical importance for the design of a wide range of systems. Suppose the biggest simulation model used the same turbulence model (or a slight modification) as the one employed in the smallest one, what is the relationship among the number of grid points, turbulence modeling (model variables) and the capacity of getting the needed engineering information at the right level of accuracy (for instance : CP - CL or vortex dynamics look at the V-22 vortex ring state story) ? Is the number of grid points or the turbulence modeling the dominant knowledge factor from a designer point of view? The situation becomes even more critical when the physics and chemistry to be taken into account are highly complex (aerothermodynamics and combustion, for example). It is sufficient to think at a combustion chamber or an hypersonic vehicle. Several variables such as complex thermo chemical phenomena, the interaction between turbulence and chemistry, multiphase and phase change phenomena, condition the information space linked to a model. We introduce, now, the Range of Validity concept for the Multiscale Science-Engineering Information Spaces associated to models/methods and experimental, testing and sensing techniques and procedures.
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Range of Validity is the range of the Multiscale Science-Engineering Information Space inside which we can get a set of information from specific models/methods and experimental, testing and sensing procedures/techniques and possible coupling schemes at a certain level of accuracy and reliability (uncertainty quantification). It is of fundamental relevance to determine how the Range of Validity changes as model, method, experimental & testing and coupling scheme variables change. The range of validity is a key element to determine (for a specific task) : how good computational models and experimental, testing and sensing techniques and coupling schemes should be to get Information we think to be needed to carry out a task at a predefined error and uncertainty level. how to define the right mix of computational models/methods and experimental & testing procedures/techniques and coupling schemes to get what we think to be the right information at the right level of accuracy and uncertainty to perform a specific R&D and Engineering analysis and design task..
Fig. 5 (Center for Computational Materials Design NSF) describes a framework to define in a formal way the Range of Validity (or Applicability Domain) of a model The Multiscale Science-Engineering Information Space formalizes what, today, is being performed in an empirical and semi-empirical way. Such a formal procedure allows us to rigorously evaluate the relative weight of the several model/method/technique variables as function of the Information Space and the best research/development paths for computational models/methods and experimental & testing techniques to address specific challenges. The Multiscale Science-Engineering Information Space concept and method enables researchers and designers to jointly define development roadmaps for computational models and experimental, testing and sensing techniques.
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The need of defining the Information Space associated to computational method and experimental techniques, in the context of the Verification & Validation process, has been analyzed, for instance, by Tim Trucano in Uncertainty in Verification and Validation: Recent Perspective Optimization and Uncertainty Estimation, Sandia National Laboratories Albuquerque, NM 87185-0370 SIAM Conference on Computational Science and Engineering, February 12-15, 2005, Orlando, Florida - SAND20050945C.
Fig. 6 The figure (from the previously quoted document) illustrates the Information Space concept Thanks to the Multiscale Science Engineering Information Space concept and method, it is possible to define Costs/Benefits Function for models/methods and related coupling schemes as referred to different Technology Development and Engineering tasks. Benefits are referred to the Information get and Costs to the resources needed to develop, validate and apply models/methods/techniques/coupling schemes. This kind of Function could be useful to Technology Development and Engineering Project Managers to better manage and allocate human, organizational and financial resources. The Multiscale Science Engineering Information Space and the Range of Validity concepts can be related with new Verification and Validation (V&V) strategies and methods. Uncertainty Quantification (UQ) is a key challenge for Computational Science and Engineering. UQ and Quantification of Margin of Uncertainty (QMU) [performance (measured) vs. requirements (set)] , are becoming (have already become) one of the new driver and objective for the Computational World. The Predictive Science Academic Alliance Program (PSAAP) managed by US National Nuclear Security Agency (NNSA) is a clear example of application of these statements. The Multiscale Science-Engineering Space is of fundamental importance to define and implement Methodologically Integrated Multiscale Science-Engineering Strategies which foresee the coherent use of several different single and multiscale computational models and methods, and several different single and multiscale experimental, testing and sensing techniques working over a full range of scales. The Multiscale Science Engineering Information Space is becoming of increasingly importance for Science and Engineering because for a specific tasks is common using a spectrum of computational models and a spectrum of experimental techniques and methods. Integration calls for rigorous methodologies to determine what kind of Information can be get from computations and what from experimentation, testing and sensing.
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According to the previous analysis, the Multiscale Science-Engineering Information Space concept and method is instrumental to identify: shortcomings and limitations of computational models/methods and related multiscale multiphysics coupling schemes for specific R&D and Engineering tasks development lines (roadmaps) for computational models and methods and multiscale coupling schemes to achieve specific R&D and Engineering objectives shortcomings and limitations and development lines (roadmaps) for experimental, testing and sensing techniques and procedures and related multiscale multiphysics coupling schemes integrated roadmaps for jointly developing multiscale multiphysics analytical, computational and (multiscale) experimental, testing and sensing techniques to deal with specific R&D and Engineering Tasks integrated strategies for jointly applying multiphysics multiscale analytical, computational and (multiscale) experimental, testing and sensing techniques/procedures to deal with specific R&D and Engineering Tasks
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3.4 The Information Driven Concept and Analysis Scheme

The relevance of Information, as a key element to shape R&D and Engineering Strategies, is winning an increasing attention. Several studies have been performed, for instance, by Jitesh H. Panchal, Janet K. Allen, David L. McDowell and colleagues at Georgia Institute of Technology. Alessandro Formica highlighted the role of Information to drive modeling and simulation strategies in the White Paper HPC and the Progress of Technology : Hopes, Hype and Reality published in US by RCI Ltd on February, 1995. In this document he discussed the concept of Engineering Information Analysis. The issue was also dealt with in the context of the Accelerated Insertion of Materials (AIM) Program (1999) managed by US DARPA. The following text is drawn from DARPA Proposer Information Pamphlet BAA 00-22 clearly describes the theme and related challenges: The need for an Information-Driven strategy . .There are many interrelated technical challenges and issues that will need to be addressed in order to successfully develop new approaches for accelerated insertion. These include, but are not limited to, the following: The construction of the designers knowledge base: What information does the designer need and to what fidelity? How does one coordinate models, simulations, and experiments to maximize information content? What strategies does one use for design and use of models, computations, and experiments to yield useful information? How can redundancies in the data be used to assess fidelity ? The development/use of models and simulation: What models are required to be used and/or developed in the context of the designer knowledge base? How can models of different time and length scales be linked to each other and to experiments? How can the errors associated with model assumptions and calculations be quantified? How can models be used synergistically with experimental data ? The use of experiments: Are there new, more efficient experimental approaches that can be used to accelerate the taking of data? How can experiments be used synergistically with models? How can legacy data and other existing data base sources be used ? The mathematical representation of materials: How can one develop a standardized mathematical language to: describe fundamental materials phenomena and properties; formulate reliable, robust models and computational strategies; bridge interfaces; and identify gaps between models, theory and experimental materials science and engineering? How can this representation be used to develop hierarchical principles for averaging the results of models or experiments while still capturing extremes ? In the context of the Integrated Multiscale Science Engineering Framework, Information is a key element which, to a large extent, drives and shapes R&D and Engineering/Manufacturing Strategies. The term Information Driven means that R&D and Engineering/Manufacturing strategies for specific Tasks have to address what can be called The Information Challenge for R&D and Engineering :
What Information at what level of accuracy and reliability (uncertainty quantification) is needed to
accomplish a task
What Relationships and Interdependencies between analysis and design variables should be tracked over
a full range (as needed) of space and time scales to accomplish a task
What kind of information sources (analytical, computational, experimental, testing and sensing
models/techniques) are needed and how they can be combined to get the previously identified information
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Accordingly, the following key issues define the The Information - Driven Analysis Scheme for R&D and Engineering/Manufacturing: Select a set of scales and resolution levels (the choice is not unique and it is related to a specific Phase and Task) identify physical phenomena, geometry and variables at the different space and time scales which influence the dynamics of a system at the reference scale at a certain level of accuracy and fidelity (different scenarios for accuracy and fidelity can be taken into account). identify at a qualitative and quantitative level relationships and interdependencies among phenomena, geometry, equations and variables at the different scales assess how and to what extent (qualitative and quantitative evaluation) the capability of getting information thought to be needed to describe the dynamics of the system at the reference scale at a certain level of accuracy and fidelity is affected by the spectrum of phenomena at the other scales. assess how requirements defined at a scale determine and affect requirements to the other scales The definition of how information and requirements propagate in a qualitative and quantitative way (in a deterministic and/or probabilistic fashion and taking into account uncertainties) from a scale to another scale, from a resolution level to another resolution level, is a key step to :effectively deal with physics as well as with system and process complexity Assess what Information at what level of accuracy and reliability is thought to be needed to accomplish a R&D and Engineering task . Thought to be needed means that the process is iterative, we start with some hypotheses and just Multiscale Science Engineering Strategies and related Data, information and Knowledge Analysis schemes and tools give us the possibility to improve evaluation about the Information needed to execute the task. Example : What Information (what physical and chemical phenomena and processes related to materials, structures and chemically reacting flows and their interactions) at what level of accuracy and uncertainty should we know to analyze the dynamics of a Thermal Protection Systems of an Hypersonic Vehicle for a specific operational environment? Evaluate what physical length scales and related physical and biochemical phenomena rule the dynamics of the system under analysis for a specific Tasks, what is the relative weight, what are relationships and interdependencies between phenomena and processes inside a scale and between different scales (to be described thanks to Multiscale Maps). Evaluate what Information at what level of accuracy and reliability can existing analytical, computational models, experimental, testing and sensing techniques and related coupling scheme give us (to be described using the Multiscale Science Engineering Information Space). Assess what characteristics (Information Spaces) should new models/techniques and related coupling schemes have Assess what combination of old and new computational, analytical, and experimental/testing methodologies at different levels of scale and resolution do we need to get the right information at the right level of accuracy and completeness for the different tasks in the different R&D and design stages. A critical step for the rational design of the R&D and engineering processes is a proper selection, integration, and sequencing of computational and analytical models and experimental/testing methodologies with varying degrees of complexity and resolution. To do that we have to define the Science-Engineering Information Space associated to each methodology. Assess how good analytical and computational models, experimental, testing and sensing techniques and related coupling schemes should be to get the previously identified information thought to be needed to accomplish a task. How good means evaluating how much physical realism should be incorporated into the models and what scales hierarchy has to be taken into account. Not in all the cases, of course, we really need complex multiscale methodologies going down to the Schrdinger equations: simple single scale models can be accurate and reliable enough.
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Note: This kind of Information is critical to evaluate what new analytical and computational models and what new experimental, testing and sensing procedures/techniques should be developed and integrated to deal with a specific analysis task. It is important to identify not only what we know, but, in particular, what we do not know, what we should know, how we should know it (what combination of scientific and engineering methodologies and technologies should be needed). In this context, the lack of Knowledge becomes and important element to guide Strategies. Furthermore, another very critical issue is that we need a rational approach to link advances in the different methods at the different scales with the new information we need to meet challenges in the different tasks in the different stages of the R&D and engineering process. How do we effectively and timely evaluate the impact of scientific methodological and information advances at an atomic, molecular, and grain (for materials) level on new technological and engineering solutions if we do not have conceptual and methodological (multiscale) frameworks to link methods and information at the different scales: from atomic to continuum? The Multiscale Science-Engineering Information Space can represent a first step to deal with these critical issues. If we like to shape new cooperative schemes between industry, from one side, and academia and research, from the other side, we have to define specific methodologies to evaluate the industrial and technological value of new scientific methodological advances. It is to be highlighted that this Analysis Scheme is adaptive and iterative. It should be carried out at the starting time of any R&D and Engineering/Manufacturing Phase and Task using available data, information and knowledge and formulating hypotheses: Results get during the execution of a Phase and related Tasks will provide data, information and knowledge that allow to update and improve the Analysis Scheme and initial Hypotheses Phase after Phase, Task after Task. The Information-driven approach is a fundamental element to assess if, where, when and to what extent we have to go down along the hierarchy of scales. Not in all the cases, of course, we should go down until Schrodinger equations from the continuum. Dont Model Bulldozers with quarks (Goldenfeld and Kadanoff, 1999)
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3.5 Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domains
The Vision of Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers (KIM) and Unifying Paradigm for Scientific and Engineering Knowledge Domains and (Experimentation, Testing and Sensing) Methodologies characterizes the Integrated Multiscale Science-Engineering Framework and it represents the conceptual context inside which the Framework is applied to R&D and Engineering Processes. The KIM notion was presented by Alessandro Formica in the: HPC and the Progress of Technology : Hopes, Hype, and Reality RCI. Ltd Management White Paper February 1995 Multiscale Multiphysics Modeling and Simulation can be regarded as Knowledge Integrators and Multipliers (KIM) and Unifying Paradigm for Scientific and Engineering Knowledge Domains and Methodologies because Multiscale Models are able to integrate and synthesize, in a coherent framework, Data, information, and Knowledge from: a number of disciplines, a wide range of scientific and engineering time and space domains, multiple scientific and engineering models (science-engineering integration) linked by a spectrum of coupling schemes. a wide spectrum of Computational, Experimentation, Testing and Sensing Multiscale Science Engineering Data and Information Spaces built during the development, validation, application and improvement phases of the same Multiscale Models several Maps generated by a wide range of methodologies (analytical theories, computation, experimentation, testing and sensing) during the development, validation, application and improvement phases of the same Multiscale Models In this context, we propose to extend the concept of Model to include not only its mathematical formulation, but, also, Information Spaces and Maps linked to it for specific tasks. We also extend the concept of Model from the Computational to the Experimental, Testing and Sensing World This Vision give a New Dimension to the Virtual Engineering and Manufacturing Concept and Strategy and Science Engineering Integration Methodologies and Environments open the way to define a New Field: Virtual Technology Innovation Multiscale Information Spaces and Multiscale Maps embody and organize Data, Information and Knowledge get by the full spectrum of analytical theories, a set models at different scales and the related experiments, tests and sensing measures used to develop, validate and improve them. It is to be highlighted that all the existing Modeling and Simulation concepts, application strategies and methodologies, such as Virtual Prototyping , Simulation - Based Design, Simulation - Based Acquisition, Simulation Based Engineering Science (SBES) and Virtual Engineering, can be considered as particular cases of this more general concept and strategy. We would like to emphasize that the KIM concept puts Multiscale Modeling and Simulation and, accordingly, HPC, at the centre of the R&D and Engineering/Manufacturing Processes much more than the classical Virtual Engineering and Manufacturing and Simulation Based Engineering Science concepts. Multiscale Modeling and Simulation become a key element to shape complex (multi and single scale) Experimental, Testing and Sensing Strategies. The concept of Model as Knowledge Integrator is certainly not new. This view, in the mid of nineties, was clearly described in the chemical engineering field by James H. Krieger, in the article Process Simulation Seen As Pivotal In Corporate Information Flow - Chemical & Engineering News, March 27, 1995. The text reported the following statement of Irving G. Snyder Jr., director of process technology development, Dow Chemical : "The model integrates the organization. It is the vehicle that conveys knowledge from research all the way up to the business team, and it becomes a tool for the business to explore different opportunities and to convey the resulting needs to manufacturing, engineering, and research." . In the same article other companies such as BNFL and Du Pont expressed similar points of view.
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Note: Continuous advances in computational modeling and computing power makes it possible to build computational models which simulate the experimental or testing apparatus, the system to be probed and related interactions. This kind of modeling is an interesting asset to plan experimentation, testing and sensing and analyze results. Key element of the KIM Vision is the extension of the concept of Model to the Experimental, Testing and Sensing World as detailed in the following: The Concept of Experimental, Testing and Sensing Model In the proposed theoretical and methodological framework it is necessary to extend the concept of Model from the Computational to the Experimental, Testing and Sensing World. In the context of the Experimental, Testing and Sensing World, for Model, as referred to a specific Experimental, Testing, Sensing activity carried out with specific techniques, working in a specific operational mode and probing a specific system for a specific task, we mean an Information and Knowledge Structure that define: Characteristics (structure, composition, initial dynamics state, boundary conditions, external loadings) of the System to be probed Characteristics of the equipment in terms of resolution, scale, physical and biochemical phenomena which can be probed Characteristics of the specific Experimental, Testing and Sensing operational conditions and modes applied for specific R&D and Engineering Tasks The Multiscale Science Engineering Information Space related to it Multiscale Physics Maps .
As in the Computational World, it is easy to define the concept of Multiscale Experimental, Testing and Sensing Model. In this case the Information/Knowledge Structure refers to a cluster of different equipments and it embodies information about: Interaction schemes among the different equipments Data and Information Flow among the different equipments
Multiscale Computational Modeling and Multiscale Experimentation Integration Materials Research Society Bulletin An important recognition of the key strategic relevance of the development of multiscale experimental techniques and their integration with multiscale computational modeling comes from the article ThreeDimensional Materials Science: An Intersection of Three-Dimensional Reconstructions and Simulations (Katsuyo Thornton and Henning Friis Poulsen, Guest Editors), published in the Materials Research Society (MRS) Bulletin June 2008. ..For example, by combining a nondestructive experimental technique such as 3D x-ray imaging on a coarse scale, FIB-based 3D reconstruction on a finer scale, and 3D atom probe microscopy at an even finer scale, one has an opportunity to capture materials phenomena over six orders of magnitude in length scale. This will bring materials researchers closer to the ultimate dream of a direct validation of multiscale models, both component by component and ultimately as an integrated simulation tool. In conjunction with the advances on the modeling side, such comprehensive experimental information is seen as very promising for establishing a new generation of models in materials science based on first principles..
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Even if attention to the integration issue is positively increasing, particularly for models development and verification and validation phases, there are still conceptual and methodological relationships not thoroughly examined between challenges and advances in modeling and simulation, and progress and challenges in experimental, testing and sensing techniques. Experience is showing us that ever more complex and large scale computations call for increasingly sophisticated and expensive experimental/testing/sensing techniques both in the model development, validation and improvement phases. Advances in modeling and simulation are intimately linked to progress in experimental, testing and sensing methods and techniques and vice versa. A direct correlation and strong mutual dependencies, in the model development, validation and improvement phases, exist between the two fields sometimes regarded as antithetic. It is important to take into account that, if computational methods and computing technologies are continuously progressing, also experimental, testing and sensing techniques are making continuous significant progress. It is sufficient to think at the impact on materials research that the Scanning Tunneling Microscopy (STM) and Atomic Force Microcopy (AFM) techniques have had. It is advisable to consider a joined development of new Computational Methods and Strategies with new Experimentation, Testing and Sensing Development Techniques and Strategies and vice versa. Furthermore more and more complex and powerful 3D and 4D experimental, testing and sensing techniques increasingly call for complex computational models to interpret, analyse and organize data and define integrated measurement and characterization strategies. A priority target is to develop a unified conceptual context to synergistically take advantage of advances in both the fields and not only for the computational models development and validation phases, as it occurs today, but, also, in the application phase. All of that in the context of Integrated Frameworks and Strategies An effective R&D and Engineering Strategy should find the way to synergistically take advantage of advances in both the fields. In several cases, today, advanced HPC/Modeling/Simulation and experimental/testing/sensing programs are conceived and managed as separated realities. This situation can lead to costs increase and hamper and limit the effectiveness of both the programs. The new Vision reconcile development streams and roadmaps in the two fields. In the R&D and Engineering Process, today and, more and more, in the future, we have to integrate a full spectrum of (interdependent and interlinked) scientific and engineering models and codes with a wide spectrum of experimental, testing and sensing (scientific and engineering) data with a full spectrum of scientific and engineering analytical formulations. Data get from experimentation, testing and sensing covers several physical and biochemical disciplines and domains and several different space and time scales. It is clear that, increasingly, we have to deal with very complex interaction patterns intra the experimentation, testing and sensing world, intra the computational modeling world and inter the experimentation, testing, sensing and computational modeling worlds. Multiscale Science Engineering Information Spaces, Multiscale Maps and the Kim vision can be a first step to realize this integration. The KIM concept is a fundamental theoretical and methodological basis. Methodologically Integrated Multiscale Science Engineering Strategies are built upon it. Classical Modeling & Simulation Application Strategies in the innovative technology development field are significantly hampered and limited the following fundamental contradiction: when we develop innovative technologies and innovative engineering solutions, we often enter a territory where theories are not well developed and reliable, and the availability of experimental and testing data is fragmented or lacking at all. Accordingly, we face a fundamental and intrinsic problem: Modeling & Simulation is the reference strategy to limit risks, costs, and development times by heavily reducing the resort to complex and expensive experimental and testing activities. However, contrary to what happens in the mature or evolutionary technology environment, we cannot adopt this strategy because we still need very significant experimental and testing activities to develop and validate the needed computational models. That is what is called a classical Catch 22 situation: (i.e.) a situation which involves intrinsic contradictions.
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This contradiction is certainly not ignored. In the presentation Modeling and Simulation in the F-22 Program held on 3 June 98, Bgen Michael Mushala, F-22 System Program Director, highlighted this issue. We quote his exact words : A Catch 22 : >> Increased Reliance on Simulation Requires High Confidence in the Modeling >> High Confidence in the Modeling Requires High Quality Flight Test Data How to get out of this contradiction? We think that single scale and independent computational and experimentation, testing and sensing science and engineering strategies are not up to the challenge, A partial way forward can be the application of the new Vision of Modeling and Simulation and, in particular, of some of its key constitutive elements: Multiscale Maps the Multiscale Science Engineering Information Space concept. which enables the definition in a formal way of what kind of information at what level of accuracy and reliability can be get by single and multiscale computational, experimental, testing and sensing models and techniques. A new concept of computational model which include not only mathematical and physical (chemical and biochemical, as needed) formulations, but, also, Data, Information and Knowledge (Multiscale Maps) linked to it when applied to a specific task The extension of the model concept to the experimental, testing and sensing world Definition of the Applicability Conditions and Predictability Criteria for (single and multiscale) Computational models which guide the application of Modeling and Simulation and their integration with experimentation, testing and sensing (Methodologically Integrated Multiscale Application Strategies) It should be taken into account that, notwithstanding important advances in the Verification & Validation (V&V), Uncertainty Quantification (UQ) and Quantification of the Margin of Uncertainty (QMU) fields, methodologies to rigorously validate computational models outside the range of availability of experimental, testing and sensing data, are still, to a large extent, an unsolved issue.
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3.6 Multiscale Multiresolution Multiphysics Experimentation, Testing and Sensing

The term Multiscale means the ability to probe phenomena and processes occurring over a spectrum of space and time scales The term Multiresolution refers to the analysis of phenomena and processes inside a single scale, but with a range of different resolution degrees The term Multiphysics means the analysis of a spectrum of phenomena and processes referred to several physical and biochemical domains, inside a specific scale or over a range of scales. For Multiscale Experimental/Testing/Sensing Techniques we mean: Single Experimental/Testing/Sensing Equipments able to probe Systems over a range of space and time scales. Integration of multiple experimental/testing/sensing equipments. In this case data get from a set of experimental/testing equipments is integrated to give a comprehensive picture of phenomena/processes. Multiscale Maps can represent an interesting tool to accomplish this task. Integration can be implemented over Cyberinfrastructures. . The following issues motivated the birth and they are driving the development of the Multiscale Multiresolution, Multiphysics Experimental, Testing and Sensing fields: Just the continuous development of Computational Multiscale has put the basis and established the need to extend, in a systematic way, the Multiscale Concept and Method to the experimental, testing and sensing fields. The development and validation of ever more complex multiscale computational models and methods increasingly call for the integration of data, information and knowledge from a wide range of experimental, testing and sensing equipments working over an extended spectrum of space and time scales and physical domains. We can state that a direct relationship between the Multiscale Computational and the Experimental, Testing and Sensing World exists. Advances in Multiscale Computational Models and Methods is directly linked to advances in experimental, testing and sensing multiscale. The development of Multiscale Multiresolution Experimentation, Testing and Sensing techniques open a whole new Application World to Multiscale Modeling and Simulation. Hierarchical Multiscale Materials and Systems made up of a wide spectrum of sub-systems, components, devices and basic structural elements and related Multiscale Manufacturing techniques (additive manufacturing, for instance) call for Multiscale Integrated Experimental, Testing and Sensing techniques and strategies to get an in-depth and Comprehensive understanding of their dynamics. The behaviour of Materials, Devices and Systems inside widening operational envelopes and related requirements for Extreme Performance levels (Extreme Engineering) is critically dependent upon a full spectrum of multiscale physical and biochemical phenomena. Furthermore, the classical approach to Life Cycle issues (damage, fracture, properties degradation, corrosion, failure..) is increasingly showing specific limits. This situation makes a science based (multiscale) experimental, testing and sensing approach a specific target for Technology Development and Engineering. New and more powerful experimental, testing and sensing equipments are continuously developed. Technology advances allow, today, to design experimental, testing and sensing equipments with inherent capabilities to probe systems over an extended range of scales: Free Electron Laser and X Ray Synchrotron, are two significant examples of this trend. Advances in wireless and wired sensor network and the Integration of Distributed Processing and Sensing put the bases to the design of a new Generation of Multiscale Sensor Networks. Technological Advances in both the fields put the bases to design and implement Multiscale Multidisciplinary Cyberinfrastructures which connect a wide spectrum of experimental, testing and sensing systems working over a full spectrum of space and time scales.
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Fig. 7 (from the Presentation: Dynamic Behavior of Materials, G. Ravichandran, Graduate Aerospace Laboratories (GALCIT) California Institute of Technology (Caltech), TST Meeting, May 20, 2011) This figure illustrates the complex set of experimental resources needed to validate a Multiscale Computational Model and Framework The research has been carried out in the context of the Hypervelocity Impact (HVI) Program at Caltech funded and managed by National Nuclear Security Agency (NNSA). Prof. Michael Ortiz is the Program Director. There is a specific parallelism between developments in the Computational World and developments in the Experimental/ Testing/Sensing one. In the Computational World we see a growing number of methods and techniques able to model and simulate phenomena at an increasingly level of detail over an extended range of space and time scales. The same trend is characterizing experimentation, testing and sensing. As in the Computational context the challenge, now, is to devise integrated strategies to fully exploit these new potentialities so, in the Experimental, Testing and Sensing World, we have the same challenge: devising integrated strategies. The next logical step is a full integration of the two Worlds as envisaged in this Document to shape Methodologically Integrated R&D and Engineering Strategies. We would like to highlight that the whole theoretical and methodological apparatus described in the previous Paragraphs can be an important asset to design Integrated Multiscale Multiresolution Multiphysics Experimental and Testing Strategies.
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European Synchrotron Research Facility (ESRF) and Multiscale Experimental Research

The X-Ray Imaging (XRI) beam lines address a large variety of topics with a high scientific and societal impact. Among these topics we can mention the biomedical research (imaging, radiotherapy, drug action, metallic particles in biological materials), the multiscale investigation of the most important fossils, cultural heritage studies, in-situ observation of the growth/failure of materials, porous or granular materials and storage materials for nuclear waste. The multiscale approach is considered essential for the scientific success of SR-based imaging: the projected XRI BLs will provide spatial resolutions over four orders of magnitude (10-8 10-4 m), and a wide range of photon energies (2 to 150 keV, as well as infrared). Synchrotron Radiation from European Synchrotron Radiation Facility (ESRF) has been already applied several times in a multiscale mode. Scientists from Max Planck Institute (Germany) and the ESRF discovered the way deformation at the nanoscale takes place in bones by studying it with synchrotron Xrays.. A bone is made up of two different elements: half of it is a stretchable fibrous protein called collagen and the other half is a brittle mineral phase called apatite.. In order to understand how this construction is achieved and functions, scientists from the Max Planck Institute of Colloids and Interfaces in Potsdam (Germany) ESRF used X-rays from ESRF to see for the first time the simultaneous re-arrangement of organic and inorganic components at a micro and nanoscale level under tensile stress. Scientists carried out experiments on ID2 beam line at the ESRF. They tracked the molecular and supramolecular rearrangements in bone while they applied stress using the techniques of X-ray scattering and diffraction in real time. The high brilliance of the X-ray source enabled the tracking of bone deformation in real time. Researchers looked at two length scales: on one side they observed the 100 nanometers sized fibres, and on the other, the crystallites embedded inside the fibre, which are not bigger than 2 to 4 nanometers. This Multiscale approach is relevant for the whole Biomaterials field. Integration of Experimental Facilities working with different techniques and covering a spectrum of phenomena and space and time scales. ESRF was also involved, jointly with the Laboratoire de Physique et Mechanique des Materiaux CNRS, the Institut Laue-Langevin and the Institute of Physics of the ASCR, v.v.i. Laboratory of Metals Praha Czech Republic, in the Multiscale analysis by neutron and synchrotron X-ray diffraction of the mechanicallyinduced martensitic transformation of a CuAlBe shape memory alloy. The objectives were to determine stresses and orientations evolutions from macro to micro scale during a stress-induced martensitic transformation Multiscale Synchrotron Techniques For Environmental Sciences: nucleation and growth New material synthesis largely depends on novel synthetic routes which are often constrained by increased environmental concerns. A way to overcome this issue is to perform chemical reactions in miniature volumes (e.g. microfluidic devices). Scattering techniques offer interesting possibilities in green chemistry, particularly to monitor reactions at the nanoscale, thereby allowing the conditions to be optimized. In environmental sciences, control of aerosol growth resulting from the combustion of fossil fuels is a major issue. Recently, synchrotron scattering experiments have been used to elucidate the mechanism of soot formation and their multiscale structure in flames and at the exhaust of a diesel engine. These systems can be classified as open non-equilibrium systems with complex self organisation and intermittent behaviour. Multiscale Synchrotron Techniques for Pyrolysis Another example is the in situ spray pyrolysis used for the synthesis of nanomaterials. In all these cases, a combination of SAXS and USAXS provide insight to intermittent structural development from a few nanometers (nucleation) to micron scale (aggregates and agglomerates). Similar studies can be extended to dusty plasmas to directly probe charged nanoparticles and their long-range correlations. However, the systems mentioned above are in a highly non-equilibrium state and to probe the transient processes at large length scales a long pinhole type USAXS instrument is required. Access to a very wide range of structural levels from molecular to microscopic scales has potential applications in smart materials vigorously pursued for addressing the grand challenges in energy research .
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3.7 Integrated Multiscale Science Engineering Analysis Strategies

3.7.1 Methodologically Integrated Multiscale Science Engineering Strategies
The Multiscale Science Engineering Information Space and the Information Driven concept (described in the 3.3 and 3.4 paragraphs) allow us to define new Applicability Conditions and Predictability Criteria for Computational Models to shape Application Strategies for Modeling and Simulation and their integration with related Experimentation, Testing and Sensing Application Strategies The final goal is the development of Methodologically Integrated Multiscale Science Engineering Strategies which represent a very important element of the New Framework here described. The definition of Applicability Conditions and related Predictability Criteria for computational models implies the ability of establishing specific rules and schemes that allow researchers, designers, and planners to evaluate, with a high degree of reliability, where, when, and to what extent, it is possible to safely (quantifying in probabilistic terms risks and uncertainties) substitute modeling & simulation for experimentation and testing and where, when, how and to what extent we need to integrate modeling & simulation with experimentation, testing and sensing for specific tasks. Applicability Conditions. Two basic conditions which rule the development and the implementation of predictive models and their integration with experimental and testing techniques can be defined: researchers and engineers are able to formulate hypotheses about what Information is needed to accomplish a R&D and Engineering task: what physical length scales and multiphysics and multiscale phenomena/processes and relationships/interdependencies are important for specific R&D and Engineering tasks and purposes. at what level of accuracy and reliability phenomena/processes should be modeled and simulated researchers and engineers are able to define the range of validity of the models and, inside this range, the degree of accuracy and reliability of the same models. Applicability Conditions can also be applied to the Experimental, Testing and Sensing Fields. A detailed comparison of the Information which can be get by the whole spectrum of analysis methodologies and tools with the Information we think it is needed to accomplish a specific Task, is an important element to shape Methodologically Integrated Strategies Predictability Criteria When we discuss about predictive capabilities of models in the R&D and Engineering context, we should carefully take into account two critical issues: predictive consequence and confidence. Predictive Consequence: what is the impact of errors/uncertainties for specific tasks? Errors/uncertainties can be relatively large but their impact can be low. On the contrary, errors and uncertainties can be limited but their impact can be very large. Predictive Confidence: how to assess models errors and uncertainties in order to evaluate the level of confidence? [Multiscale Science Engineering Information Space and Verification & Validation methods]. Recent Uncertainty Quantification methods address this issue Same considerations hold true, of course, also for the experimental & testing field. Validation means, both for computational and experimentation & testing models/methods , being able to define predictive consequence and confidence. It is worthwhile noting that as computational models become more complex so their sensitivity to even very small errors goes up. A comprehensive and reliable assessment of the predictive capabilities of computational models and codes is a key, but still largely unsolved, issue. We still do not have rigorous and reliable methods to assess the range of validity of the models. How to extrapolate validation outside the range of availability of experiments and tests is, to a large extent, an unanswered question. Key prerequisite for a predictive use of modeling & simulation in the innovative fields is the ability to define the Science-Engineering Information Space associated with the computational models. Validation means the capability of defining both features of the Information Space and its boundaries. In the engineering fields, models and the related constitutive equations, which represent the physics of solid
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and fluid systems, deal mainly or only with the continuum scale. Phenomena at the lower scales (meso and micro) are taken into account (when it happens) only through averaging and homogenization procedures. Present engineering models are a mixing of rigorous theoretical assumptions, empirical considerations, and experimental observations. This classical approach gives only a partial and approximate representation of the reality, accurate enough in many cases but not completely up to the challenge when extreme operational and off-nominal conditions are to be taken into account. Or when performance and optimization are pushed to the limits. Today engineering codes have several empirical factors that users have to define. These settings are not based on a rigorous physical understanding but on the experience of the designers and the knowledge gained from experimental activities. All that limits the effectiveness of computational models to significantly reduce expensive experimental and testing activities in the development of innovative technological systems. Application Conditions and Predictability Criteria are important Guiding Principles to define Multiscale Modeling and Simulation Application Strategies and to shape Methodologically Integrated Multiscale Science Engineering Strategies. The final objective is to define Multiscale Methodologically Integrated Strategy Maps which describe: What analytical theories, single and multi scale computational models and what single and multi scale experiments, tests and sensing systems and /techniques have to be selected to deal with a specific task What is the order of execution and the overall Integration Scheme as shaped by the Applicability Conditions and Predictability Criteria (Multilevel Network of Computational, Experimental, Testing and Sensing Models/Methods and Techniques) What is the flow of input and output data (and related Formats) and information/knowledge (Maps) among the full spectrum of models and experiments/tests/sensing techniques. What resources [Codes, Computing Centers and Computing Machines, Experimental, Testing and Sensing Systems and Devices (and related operational modes), Teams] are involved. Resources can be organized into Classes Petri nets are well-suited for the modeling of workflow processes Multiscale Methodologically Integrated Strategies can be described graphically by a classical representation scheme well known in the for project planning area : the task-precedence or precedence chart. These types of chart indicate, in our case, the order in which the different models/techniques are executed. Arrows indicate relationships, interdependencies and data and information transfer schemes. Models work at different scales and resolution levels. Usually, this kind of chart are two-dimensional. We think that, in the multiscale multiresolution context, it could be better to evaluate more sophisticated representations. Petri Nets classical schemes:
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Maps and Knowledge Domains are key resources in shaping more effective strategies aimed at the analysis, fusion and interpretation of data because they elucidate the network of relationships among the geometrical elements and physical phenomena which, globally, describe a System and its dynamics. Maps and Knowledge Domains are fundamental to turn the tsunami of data coming from a widening spectrum of scientific and engineering models, methods, experimental & testing techniques and field sensors into coherent information and knowledge schemes and structures. For each specific task, Multiscale Methodologically Integrated Strategy Maps include and describe: The full set of Analytical Theories/Formulations, Computational, Experimental, Testing and Sensing Models/Methods/Techniques applied to deal with task objectives The order of execution and Integration Scheme: Multilevel Network of Multiscale Analytical, Computational, Experimental, Testing and Sensing Models and Techniques. Techniques like the Petri Nets can be applied to define the order of execution . Classical Routing schemes: sequential, parallel, conditional, iterative. Multiscale Science Engineering Information Spaces Input and Output Data Formats and the related Flow between Models (The Term Models include Experimental, Testing and Sensing Techniques Multiscale Maps and Knowledge Domains We consider three Integration Areas (the first two Areas are related to specific methodological classes; the third one is absolutely general and it incorporate all the methodologies and technologies) 1) Inside the Experimentation, Testing and Sensing World: Integration of a full set of single and multiscale experiments, tests and sensing measurements (performed with a number of equipments) applied to accomplish a specific R&D and Engineering tasks 2) Inside the Computational World: Integration of a full set of single and multiscale multiphysics computational models applied to accomplish a specific R&D and Engineering task 3) Between the Experimental, Testing, Sensing and the Computational Word: Integration of a full set of single and multiscale experimental , testing and sensing techniques with a full spectrum of computational models experiments and tests to accomplish R&D and Engineering tasks. Multiscale Methodologically Integrated Strategy Maps and Knowledge Domains defined during the R&D and Engineering Process are recorded, organized and managed by a specific Multiscale Methodologically Integrated Strategy Maps and Knowledge Domains Base Management System. Several hypotheses can be taken into account and interactively changed during application. For a specific Analysis Task, the strategy is described in the following: After Formulating Hypotheses (using available knowledge) about what information we think to be needed to accomplish a Task, Researchers and Engineers Set up a list of single a multiscale computational models which can, potentially, give a part (more or less significant) of the previously identified information Set up a possible list of single and multiscale experimentation and testing techniques/models which can, potentially, give a part (more or less significant) of the previously identified information Build the Multiscale Science Engineering Information Space for computational models and experimental and testing techniques/models.. We also define the Range of Validity of models. Verify Applicability Conditions and Predictability Criteria for models
Then, it is possible to formulate first hypotheses about: what part of the Information thought to be needed to accomplish a Task can be get by single and multiscale computational models what can be get by experiments and tests what part of the information calls for new computational models and experimental/testing activities what can be the right mix of both the worlds (computational and experimentation and testing) and the order of execution
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Multiscale Methodologically Integrated Strategy Maps can be linked to and integrated with Physics Maps, Requirements, Property, Structure, Performance and Processing, Property, Structure, Performance Maps
Fig. 8 Simplified Example of Integration Strategy Map (from US Department of Energy (DoE) Fusion Materials program: Aspects of Multiscale Modeling Primary Damage and Rate Theory Models Presentation R. E. Stoller Metals and Ceramics Division Oak Ridge National Laboratory)_This Figure describes a possible combination of the proposed Multiscale Map of Physics and Multiscale Integration Strategy Map of Computational Models and Experiments & Tests It is useful to define three Multiscale Methodologically Integrated Strategy Maps Application Typologies: Development Multiscale Methodologically Integrated Strategy Maps which describe the combination of Analytical, Computational, Experimental, Testing and Sensing Models, Techniques and Methods and Data Bases used to develop single scale and multiscale multiphysics Computational Models. Verification and Validation Multiscale Methodologically Integrated Strategy Maps which describe the combination of Analytical, Computational, Experimental, Testing and Sensing Models, Techniques and Methods and Data Bases used in the Verification and Validation process of a single scale and multiscale multiphysics Computational Model and also single scale and multiscale Experimental, Testing and Sensing Techniques. Multiscale Methodologically Integrated Strategy Maps for R&D and Engineering/Manufacturing Tasks which describe the combination of Analytical, Computational, Experimental, Testing and Sensing Models, Techniques and Methods and Data Bases used to carry out R&D and Engineering/Manufacturing Tasks.
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In the Technology Development and Innovation phase we can still define a Virtual Technology Innovation and Development Strategy: Computational Models (even the ones not yet validated) are applied to get some hints and insight about the dynamics of a Systems (any kind). Results are organized inside Maps and Knowledge Domains. Multiscale Models as Knowledge Integrators and Multipliers integrate all the Data, Information and Knowledge get from a first run of Computational Models and available data from historical Data Bases and previous experimental/testing/sensing/activities. Information Driven Analyses can suggest the execution of a set of experimentation (or testing, sensing activities according to specific cases) to get Data thought to be needed to improve our knowledge about dynamics of the System. A New Multiscale Science - Engineering Methodologically Integrated Strategy Map is built and a new run of Simulations and Experimentations (Tests and Sensing activities) is started. The Process is iterative. It is clear that Multiscale Modeling and Simulations as Knowledge Integrators and Multipliers play a key ruling role for the Strategy. In this context, the term Virtual is fully justified because Multiscale Modeling plays the role of Strategy Integrator and Coordinator. The following Box illustrates a strategy which looks like the Methodologically Integrated Multiscale Science Engineering Strategy here described: John Hopkins Center of Excellence on Integrated Materials Modeling (CEIMM) Application of the Integrated Computational Materials Science Engineering (ICMSE) Concept and Strategy CEIMM is a multi-institutional research and educational consortium, including the following members: Academia: The John Hopkins University (lead) University of Illinois at Urbana Champaign University of California, Santa Barbara Air Force Laboratories: Metals and Composites & Hybrid Materials branches at AFRL/RX at Wright Patterson Air Force Base, Dayton Industry: Pratt & Whitney GE Aviation Lockheed Martin Boeing Simpleware Scientific Forming Technologies Corporation
It is noteworthy the involvement of some of the best names of the US Aerospace Industry in the program.
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Uncertainties Classification Uncertainties are related to any aspect of the R&D and Engineering process. The lack of a comprehensive and rigorous strategy to deal with uncertainties, in a systematic way, inside the R&D and engineering process, seriously limits our capability for reliably predicting systems behavior, selecting alternative technological and engineering solutions, validating computational and experimental & testing methods, defining the right mix among theory, modeling & simulation, and experimentation & testing. Uncertainty is a function of physics (scales and disciplines), systems and process complexity Sources of Uncertainties (the list is not exhaustive) : Physics : empirical and semi-empirical physical models have been and still are of high value for Technology Development and Engineering, but they represent a very critical source of uncertainty. If you do not know physics you are not able to assess uncertainties and related risks Geometry. The continuous reduction of the dimension of devices, components, and subsystems makes even small geometric errors ever more critical Manufacturing. The ever growing relevance of even very small defects, which arise during production processes, on properties and performance of manufactured parts. Modeling Reliability. Computational models deliver workable data and information not the Gospel Truth. Hypotheses on which models are formulated are subject to uncertainty, input data accuracy is uncertain, physical models inserted into the models are uncertain, numeric and discretization techniques add uncertainty to uncertainty. Operational Environment (Loading Conditions). Interactions between an high-tech system and its operational environment involve highly complex physical phenomena and a multitude of different nominal and off-nominal cases and situations. Experimentation and Testing. Not even experiments and tests deliver the Gospel Truth System Complexity. Interactions among devices, component, and subsystems making up a high-tech systems involve a highly entangled pattern multiscale, multimedia, multidisciplinary phenomena which is practically impossible to understand and predict in a deterministic way. Sensitivity to initial and boundary conditions Information Uncertainty. Last but not least, we take into account what we can call the Information Uncertainty Challenge. An often neglected uncertainty is linked to the determination of what information is needed in critical tasks of the R&D and engineering process, what is the needed level of accuracy, what is the range of validity and reliability level of (computational and experimental & testing) models, what is the right mix between modeling & simulation and experimentation & testing.
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Two particularly critical issues are : known unknowns (unknown solutions to known problems) and the so called unknown unknowns (unknown sources of uncertainty). Both have a critical relevance for Extreme and Safety engineering, when performance and optimization are pushed to the limits, and in all the cases where a complex pattern of multiscale and multiphysics phenomena condition the dynamics of a system
Figure 9 from : Modeling and Simulation In Support of T&E and Acquisition Dr. Frank Mello, OSD/DOT&E Presented at: The International Congress & Exhibition on Defense Test and Evaluation and Acquisition: The Global Marketplace Vancouver, British Columbia, Canada
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3.7.2 Multiscale Science Engineering Analysis Schemes

To devise Multiscale Application Schemes and more general and complex strategies to address R&D and Engineering/Manufacturing/Processing issues and tasks, we should take into account that general Multiscale Methodologies are not available. We think that a realistic reference approach is to use different coupling techniques and to integrate them inside more general multiscale multiphysics analysis and design schemes and strategies (Multi Scale Multi Paradigm: Caltech - MIT) Multiscale Analysis Schemes take advantage of the full spectrum of Multiscale Methods: Hierarchical (Message/Information Passing which can also be referred to as Off-Line Coupling Scheme), Concurrent (which can also be referred to as On-Line Coupling Scheme), Adaptive. The full spectrum of Multiscale Coupling Methods can be applied in an integrated way to achieve specific objectives. The Computational Materials Design Facility (CMDF), developed at Caltech and MIT, introduced the term Multi Paradigm for this scheme.
These boxes represent multiscale multiparadigm schemes (A, B, C, D, E, F are codes based upon different modeling and coupling methodologies and schemes working in the more general case over a spectrum of scales. The definition of Multiscale Methodologically Integrated Strategy Maps together with Multiscale Architectural Maps and related Multiscale Physics Maps is a key step for the definition of Multiscale Analysis Schemes and Strategies The Multiscale Science Engineering Information Space and the Information Driven Analysis concept (see 3.3 and 3.4 Paragraphs) are key guiding principles to shape Analysis Schemes and Strategies. Similar Multiscale Multiparadigm Schemes should be built for Multiscale Experimental, Testing and Sensing Techniques applied to develop and validate Codes and related Coupling Schemes. The following schemes can be integrated applying the previously described Integration Strategy Map: Scientific Analyses finalized to Understand Physical and Bio - Chemical Phenomena and Processes and their Relationships The full set of quantum and atomistic computational, experimental, testing and sensing methods and techniques is applied to gain a unified understanding of scientific and engineering phenomena/processes and elucidate relationships and interdependencies between phenomena, processes and system architectural/structural elements inside a scale and across different scales. Multiscale Maps give a coherent view of the network of relationships and interdependencies among System Dynamics variables turning data from different sources into Knowledge. We can apply both (OnLine) and (Off-Line) coupling schemes to integrate quantum and atomistic methods and experimental, testing and sensing techniques. Integrated Multiscale Science Engineering Analyses An extended set of computational, experimental, testing and sensing methods and techniques is applied inside a unified strategy . The set can also(not in all the cases) include Computational Scientific (Quantum and/or Atomistic) Models and Techniques. Models are integrated applying both (OnLine) and (Off-Line) coupling schemes. with Micro, Meso and Macro (Engineering) Computational Models in order to have an Integrated Multiscale Nano To Macro Analysis Framework. Knowledge get by Scientific Analyses is used to improve Micro, Meso and Macro Models.. An example of this scheme is the direct (On-Line) coupling of Atomistic (Molecular Dynamics) Models with classical Engineering (Continuum Finite Element) Models. An important Objectives of this Strategy is the development of a Hierarchy of Multiscale Variable Fidelity and Resolution Models.
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Hierarchies are built and applied for specific objectives/tasks inside the whole spectrum of phases and tasks of the innovative technology development, engineering/manufacturing design and optimization , and manufacturing processes. The ultimate goal, in the engineering field, is to have mathematical models that have enough complexity for specific tasks and able to reliably capture the key physical processes, while not including excess complexity that precludes reaching a solution on the computer within a reasonable amount of time, which obscures the dominant phenomena, and makes models validation a real nightmare. Multiscale Adaptive Schemes (On Line Coupling Schemes) Inside a single calculation the level of resolution and the models typology are changed and applied to different space-time regions following criteria selected by the analysts. Coarse Graining Molecular Dynamics Methods are a classical example. General Scheme: Start with a simple model, based on a single scale and then adaptively introduce additional scales to allow for coupled multiscale modeling, whenever and wherever these are needed Domains are not assigned in a predefined way to specific computational methods. Methods are activated during the computation according to specific criteria. A Finite Element code, for instance, can activate a MD code, inside a region, when certain conditions occur (fracture, for instance). MD code can, in turn, can activate a quantum mechanical code Multiresolution Adaptive Schemes are currently applied inside some FE codes. In the US Department of Energy National Nuclear Security Agency - Predictive Science Academic Alliance Program-II, for instance the adaptive approach is regarded as a key methodology. Science Based Reduced Order Modeling, Sub Grid Models and Constitutive Equations Analytical and Computational Reduced Order Models The knowledge get by a combined use of different single and multiscale models and experimental, testing and sensing techniques and related coupling methods allows to build analytical and computational models (reduced-order) which incorporate a full and rigorous multiscale theoretical (and also multi and single scale experimental & testing) understanding, but with a manageable degree of complexity. A key prerequisite to predictive modeling, is an integrated science-engineering approach which will allow, in the near future, for constitutive equations to be determined from more rigorous and reliable theoretical formulations which take into account the interactions between phenomena over a full range of scales This kind of models can be routinely used for engineering and manufacturing design and optimization tasks because they do not require huge computing power. The fundamental objective is to improve reliability, range of validity, and effectiveness (understanding and predictive capabilities) of current engineering and manufacturing models . Reduced order models synthesize the multiscale knowledge and, accordingly, reduced-order models can be regarded as a synthesis and integration of science and engineering. It should be taken into account that more complex high-tech systems and more tight and wide sets of operational and performance requirements call for more detailed physics-based models But .. simple models are essential for engineering design and optimization incorporating more details in a model may merely spread uncertainty across multiple factors. details do not necessarily create information : we need a rigorous methodology to assess the level of detail needed for a specific task the proposed Information Driven Multiscale Science-Engineering Information Analysis) it is not cognitively feasible to do serious engineering design if we have to understand and take into account a growing number of variables and causal relationships in the context of a huge Uncertainties Space more details mean more parameters to vary and significant increase in the dimensionality of the case space : that means a Validation and Uncertainty Management Nightmare
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We would like to highlight that non only numerical methods should be applied. In several cases, multiscale agent based modeling can be a more that rational choice. Integration of multiscale numerical models with agent based should be closely evaluated. Multiscale Numerical Models can also be applied to develop Multiscale Agent Based Models It is important to emphasize that the application of Multiscale Analysis Strategies demands some not secondary modifications in the projects organization, structuring and management. In particular, a fundamental element is the definition of Integrated Multiscale Multidisciplinary Teams. Integration develops over three lines: Disciplines: physics, chemistry, electronics, biology, Scales: specialists who operate in various in Scientific and Engineering areas Methodology: specialists who operate in the three methodological contexts: Theory, Computational, Experimentation & Testing
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3.8 Designing the R&D and Engineering/Manufacturing Process

3.8.1 R&D and Engineering/Manufacturing Process Architecture
A first step to Design the R&D and Engineering/Manufacturing Process is to identify the elements which characterize its structure and carry out R&D and Engineering/manufacturing Activities and track relationships and interdependencies: R&D and Engineering/Manufacturing Process Architecture Any R&D and Engineering/Manufacturing Project/Process can be decomposed into Multilevel Networks of Phases (Time Intervals inside which specific activities are accomplished). Each Phase is linked to a Multilevel Network of R&D and Engineering/Manufacturing Strategy Modules which incorporate Analysis and Design Modules. Each Module can be decomposed into a Multilevel Network of lower Level Modules. At the lowest Level, Modules are decomposed into a Multilevel Network of Tasks. Modules describe activities carried out in the Phases. At the higher Level we have what can be called Phase 0 or (Root Phase) which refers to a specific R&D and Engineering/Manufacturing Project and the related Strategy Module 0 or (Root Strategy Module) R&D and Engineering/Manufacturing Strategy Modules Architecture The Architecture (Strategy) to carry out a generic R&D and Engineering/Manufacturing Project is described by a multilevel network of R&D and Engineering/Manufacturing Strategy Modules Any R&D and Engineering/Manufacturing Strategy Module can be, recursively, decomposed into Multilevel Networks of simpler R&D and Engineering/Manufacturing Analysis and Design Modules. At the lowest level, R&D and Engineering/Manufacturing Analysis and Design Modules can be decomposed into Multilevel Networks of Tasks. At the lowest Task Level, Integration Strategy Maps are defined. A specific R&D and Engineering Strategy Management System manages and organizes all of that System Architecture/Structure (detailed over the full set of levels/scales, as needed)
Multilevel Multiscale Network of Architectural/Structural Elements: Systems (or System of Systems) Sub Systems Components Devices Basic Structures (Materials, Fluids, Plasmas) full set of System
R&D and Engineering/Manufacturing variables (projected over the Architectural/Structural Elements at all the levels and scales)

Requirements Performance Properties Functions Requirement - Performance Structure Property Relationships Performance - Property -Structure Processing Relationships Architectural/Structural Element Function Relationships Analysis and Design Variables
Relationships and interdependencies are described by the full set of Multiscale Maps. R&D and Engineering/Manufacturing Project Performing Entities All the activities needed to achieve objectives inside each R&D and Engineering/Manufacturing Phase are accomplished by a Multilevel Network of Physical Entities and Human Entities: Human and Management Entities: Organizations/Institutions Teams Physical Entities Theoretical, Computational, Experimental, Testing, Sensing Manufacturing Facilities, Cyberinfrastructural Frameworks
Centers
and
Facilities,
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Main Phases which constitute a R&D and Engineering/Manufacturing Process (it is only a possible interpretation): a) Mission and Scenario Analysis - Concept of Operations Definition and Exploration Performance Requirements Definition [Multiresolution, more than Multiscale, is already applied in Mission and Scenario analyses in the Defense field. For instance. In the US National Research Council Report Modeling and Simulation in Manufacturing and Defense Acquisition: (2002), Multiresolution is explicitly identified as a key target]. b) System Overall Architecture Definition c) Definition of System Requirements and System-Environment Interactions Analysis d) (Multiscale) System Architecture Definition e) Requirements Traceability Definition (Multiscale Requirements Propagation throughout the Hierarchy of Systems Architectural/Structural constituents) f) Preliminary Design g) Definition of Characteristics and Requirements (Structure, Properties, Performance, Manufacturability) of Materials, Devices, Components, Sub-Systems [Preliminary Hypotheses, Trade- off Analyses are performed] h) Detailed Design i) Definition of Characteristics and Requirements (Structure, Properties, Performance, Manufacturability) of Materials, Devices, Components, Sub-Systems and related relationships j) Verification of the need to new Technological/Architectural/Structural Developments (New Materials and related Processing Techniques, New Devices, New Components New Manufacturing Techniques and Strategies, New Testing Experimental/Techniques and Strategies). If new Developments are deemed to be needed, then an Innovative Technology Development Program should be defined. It is important to fully Integrate Engineering and Manufacturing Development Plans) k) SW and HW development l) Materials, Devices, Components Development, Manufacturing and Testing in realistic conditions [Verification of Functions, Structure (defects Included) Properties and Performance) Development of Multiscale Models of Materials, Devices, Components, Development of Models of Manufacturing/Processing Techniques and Development of Models of the Manufacturing/Processing Outcome Validation of the Models]- Development of Multiscale Methodologically Strategy Maps illustrating linkage among the Models for the full spectrum of tasks m) Sub System Development, Manufacturing/Assembly and Testing in realistic conditions [Verification of Functions, Structure, Properties and Performance) Development of Multiscale Models of Sub-Systems, Development of Models of Manufacturing/Assembly Techniques and Development of Models of the Manufacturing/Assembly Outcome Validation of the Models] Development of Multiscale Methodologically Strategy Maps illustrating linkage among the Models for the full spectrum of task n) Full Scale System Development and Manufacturing Modeling of Manufacturing/A ssembly Process and related Outcome Models Verification & Validation o) Full Scale Testing and Modeling of Full Scale Systems Functionalities and Performance Models Verification &Validation p) System prototype Demonstration and Verification (Performance and Functionalities) in an operational environment - Modeling of Performance and Functionalities, Verification & Validation of the Models q) Full System completed and qualified through integration of testing with modeling and operational demonstration r) Final Design Configuration The whole conceptual and methodological apparatus described in the (3.1 3.8 and 3.9.2 3.9.3) Paragraphs can be applied to deal with the full spectrum of the previously indicated Issues. It is important to highlight that Products (materials, devices, components, sub-systems, systems) and related Manufacturing and Assembly Processes (any kind) have to be analyzed, designed and tested concurrently. Testing should also be performed in extreme conditions.
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System-Environment Interactions and System Requirements Definition We highlight that also multiscale can play an important role in the System Requirements Definition field. At the root of the behaviour of a technology system of any kind inside a real operational environment, there is a wide and complex spectrum of physical phenomena. Simplified models are certainly useful, but they are, normally, characterized by a limited physical realism. In particular, when systems performance are pushed to the limits and the system operational envelope and scenario become wider and wider and more and more demanding. In this context Hierarchies of Variable-Fidelity Multiscale Multiresolution Models (for models we mean Numerical and Agent-Based Models) can be a valuable tool and approach. This kind of Information Structures is able to reconcile the need to routinely use simplified models with the objective not to neglect important physical phenomena which can heavily influence the behavior of a complex system .inside a real operational environment. Multiscale on-line and off-line approaches can be applied. Hierarchies of multiscale science-engineering models are being developed. These models are simple to use (limited computing power called for, and limited amount of data produced to be analyzed) but, in the multiscale science-engineering framework, they embody a high degree of physical realism.. This kind of models can be routinely used in mission and scenario analyses to identify the best operational features and performance of the system to be designed. Three critical issues : Analysis of the Environmental Impact of the System over the full range of nominal and off-nominal operational conditions (accidents included) Definition of the operational loads of the system following mission and scenario analyses. Operational loads are key to set engineering and technological requirements. Definition of how the System react to operational loads Environmental impact analyses play an increasingly crucial role in the development of all the technological systems.. Same considerations hold true for the evaluation of the environmental impact of manufacturing processes. Physico-chemical phenomena underlying environmental processes are intrinsically multiscale and multiphysics. A new challenge for Environmental Impact analyses is an integrated assessment of the whole chain : pollutant or toxic substances generation diffusion in the environment interaction with biological systems (humans included). This is a classic example of a Multiscale Multiphysics problem. System-Environment interactions determine loads for any technological systems. Engineering and technological requirements .are defined by analyzing how the system react to loads for the full operational envelope and for the whole life-cycle. These issues are critical for alternatives evaluation as far as system general architecture and technologies selection are concerned
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Multiscale Systems Engineering

Integration among a wide range of technologies and a full spectrum of sub-systems, components, devices, and materials is, today, a fundamental challenge in the analysis, development and design of high-tech systems. In the future, the widening use of a full hierarchy of nano, micro, meso technologies, devices and components will make this issue even more critical. System Engineering will, more and more become a Hierarchical Multiscale Systems Engineering. Nanotechnology, Nano To Macro Integration and Multiscale (Computational, Experimental, Testing and Sensing) will be the catalysts for this process Because, today, it begins to be possible to analyze the dynamics of systems at multiple scales, the next step is to use Integrated Multiscale Science - Engineering Strategies to design hierarchical systems at multiple scales. That means being able to design systems in such a way as to make multiple structures/elements at different scales cooperating to produce an increasingly wider spectrum of properties and functions and higher performance levels.
Fig. 10 Multiscale System Design (MIT) In the Multiscale System Engineering field, Analyses Challenges are linked to the following issues: Analysis of the Interactions between the operational environment and the technological systems for the whole operational envelope including extreme and off-nominal conditions Analysis of Requirements and their Interdependencies over the full spectrum of scales (Multiscale Requirements Traceability) Analysis of the Requirements Performance Architecture/Structure Property relationships and interdependencies over the full spectrum of scales Analyzing Multiscale Interactions among several elements at the same scale. Also in this case we deal with Multiscale Physics (Chemistry and Biochemistry) Issues because Interactions can involve phenomena spanning a spectrum of scales and Dynamics of Elements at the same scales can be characterized by phenomena developing over multiple scales. Analyzing Multiscale Interactions among System Architectural Elements working at different scales: from Macro To Nano. Development of Hierarchies of Multiscale Multilevel Variable Fidelity of Computational Models and Experimental/Testing/Sensing Models and Techniques and efficient and reliable coupling schemes between codes/models based upon a range of physico-mathematical representations and principles. Analysis, Organization and Integration of Data Information and Knowledge get from the full spectrum of Information Sources (Data Bases, Analytical Theory, Computational Models, Experimentation and Testing) during the different phases of the R&D and Engineering Process and related to the whole range of the System Architectural Elements from material coupon to devices, components, sub-systems and the whole system. Multiscale Maps and Knowledge Domains and the related Management System can be applied to address this Issue.
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Multiscale Science Engineering Analysis Schemes are applied to deal with the previously highlighted Tasks. A multiscale system design approach opens the way to new strategies for complex systems control. A combination of new multiscale sensors, meso, micro and nano systems, and distributed computing systems, can lead to innovative control schemes. New multiscale sensors will be able to deliver not only "averaged" data and information, as in the past, about space and time variations of key physical and technological variables (pressure, temperature, chemical composition,....) but the detailed map of local values and rates at different levels of resolution and time and space scales. This kind of information can be used to develop and validate off-line physical models no longer based on an empirical and semi-empirical (averaged) knowledge but on a first principles understanding of the physical reality. Highly detailed real-time models to control technological systems will grow out of this new level of understanding and will run on an array of distributed computing systems.
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3.8.2 R&D and Engineering/Manufacturing Analysis and Design Strategy Management System
The following elements characterize the R&D and Engineering Analysis and Design Strategy Management System: Strategy Modules Analysis Modules Design Modules Hypothesis and Decision Modules which keep track of the spectrum of Architectural/Structural, Analysis and Design Hypotheses and Final Decisions adopted during the R&D and Engineering Process. Tasks Methodologically Integrated Multiscale Strategy Maps described in the Paragraph 3.6.2 and applied inside the lowest Hierarchical Analysis Tasks Level The R&D and Engineering Analysis and Design Strategy Management System allows to track, organize and manage of the previously identified elements and their relationships and interdependencies. Strategy Modules Strategy Modules are constituted by Multilevel Networks of R&D and Engineering Analysis and Design Modules and Tasks. R&D and Engineering/Manufacturing Analysis and Design Modules (each R&D and Engineering Analysis and Design Module) can be decomposed into a multilevel network of more elementary Analysis and Design Modules. At the lowest network level, R&D and Engineering Analyses and Design Modules can be decomposed into a multilevel network of Tasks Tasks (each Task can be decomposed into a multilevel Network of more elementary Tasks) Hypothesis and Decision Modules which track the whole set of Analysis and Design Hypothesis and Final Decisions R&D and Engineering/Manufacturing Design Modules
Any R&D and Engineering Design Module can be broken down in a multilevel network of lower level R&D and Engineering Design Modules R&D and Engineering Design Modules describe: The full set and hierarchy of R&D and Engineering Design Modules and Tasks linked to them for each Phase The full set of Architectural/Structural and Functional Maps linked to them R&D and Engineering Objectives, Analysis and Design Variables, and Analysis Design Variable relationships The network of Analysis Modules linked to any R&D and Engineering Design Module R&D and Engineering Design Modules are recorded and managed in a specific R&D and Engineering Design Modules Data Base R&D and Engineering/Manufacturing Analysis Modules
R&D and Engineering Analysis Modules in each Phase are organized in a Multilevel Network of more elementary Analysis Modules. Any Analysis Modules of high level can embody Analysis Modules of a lower level. Analysis Modules can embody a multilevel network of Analysis Tasks. At the lowest level, Analysis Tasks define what Analysis Strategies (multilevel network of analytical formulations, computational models and experimental/testing/sensing Models/Techniques) are applied to achieve Analysis Objectives. Multiscale Methodologically Integrated Strategy Maps, described in the Paragraph 3.8, describe these strategies. Analysis Modules and Tasks are linked to Design Modules and Tasks. It is possible to develop Analysis Modules tailored for specific issues and tasks such as durability or producibility of composites or metallic or hybrid materials or structures, or the dynamical analysis of a subsystem, a component or a device.
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Analysis Modules track and organize Data, Information and Knowledge inside and between the different tasks in the different phases of the Technology Development and Engineering process and, for each task, correlate data and information with information sources (experiments, tests, computations, analytical formulations). R&D and Engineering Analysis Modules and Tasks are recorded and managed in a specific R&D and Engineering/Manufacturing Analysis Modules and Tasks Data Base Computational Code and Model Libraries Computational codes which implement a spectrum of methods [Molecular Dynamics, Coarse Grained MD, Monte Carlo, Density Functional Theory, Phase Fields, Dislocation Dynamics, Continuum Finite Elements,.] Computational Models and related links to Tasks where they are applied Single and Multiscale Multiphysics coupling methods and schemes. For each Computational Model (linked to a specific Task), Library describes: The specific Computational method applied Characteristic of the modeled System Model Dimension Boundary and Initial Conditions Maps Links to the tasks where it has been employed The specific coupling scheme(s) among a cluster of models in case of Multiscale Techniques Input and Output Data Formats are indicated both for specific Models and Codes
Libraries are software environments which allow to catalogue and manage a whole set of :
Experimental, Testing and Sensing Technique/Equipment and Model Libraries Experimental, Testing and Sensing Techniques (STM, AFM, TEM, SEM,) and related specific application methods which implement them
Libraries are software environments which allow to catalogue and describe:
For each Experimental, Testing and Sensing Technique/Equipment, Libraries detail: Characteristics, applicability conditions and what kind of information can be get from them for specific application domains and conditions Single and Multiscale coupling methods and schemes. For each Experimental/Testing/Sensing Model linked to a specific Task, Library describes: The specific Experimental/Testing/Sensing technique applied Characteristic/State of the probed System Experimental/Testing/Sensing operational mode Maps Links to the tasks where it has been employed The specific coupling scheme(s) among a cluster of models in case of Multiscale Techniques
Manufacturing/Processing Libraries Libraries are software environments which allow to catalogue and describe: All the Manufacturing/Processing Systems and Units at all the levels and scales
For each Manufacturing/Processing Systems and Units Libraries detail:
Characteristics Operational Modes Functions carried out Linking with other Systems/Units
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3.8.3 Integrated R&D and Engineering/Manufacturing Analysis Strategies

Integrated Multiscale Science Engineering Schemes are absolutely general Analysis methods they can be applied to any task, in any context for any purpose in any phase of the R&D and Engineering/Manufacturing Analysis and Design Process. Analysis Strategies can be applied to analyze dynamics of: Any Engineering and Manufacturing/Processing System and the interaction among all of its components (any level and scale) interactions between the System and other Systems (System of Systems) interactions between a System and the Environment where it operates for nominal and off-nominal (accident included) situations. We would like to state that, in this document, multiscale stands for multiscale multiphysics and that multiscale is a general term and it embodies, as a special case, classical single scale models and analyses which can, in turn, take advantage of Reduced Order Models built upon multiscale analysis schemes. The term Integrated is used because R&D and Engineering Strategies are based upon a full integration of computational and experimental, testing and sensing models, techniques and strategies. It should be highlighted that for Multiscale Computational Models we mean not only Classical Computational Models, but, also, Multi and Single Scale Agent Based Models. A key goal of Multiscale Information - Driven Strategies is to develop a hierarchy of Multiscale Multiresolution Multiphysics (Computational, Experimental, Testing and Sensing) Models. Each model should be characterized by the level of complexity thought to be needed to get the Information to accomplish specific tasks: no more no less. Citing Einstein: A model must be as simple as possible, but not simpler Adaptive Strategies (selection of resolution scales and levels and complexity models. It can be a valuable starting Strategy. It could be advisable to start with simplified Models and, afterwards, selectively insert more complex science based Models. Integrated Multiscale Science Engineering/manufacturing Analysis Strategies synthesize and take advantage of all the concepts and methods described in the previous paragraphs: Data, Information and Knowledge Structures and Analysis Schemes (Multiscale Knowledge Domains and Multiscale Maps) The Multiscale Science Engineering Information Space and Information Driven concepts The Modeling and Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domains concept and the related Methodologically Integrated Multiscale Science Engineering Strategies . A fundamental issue for all the Multiscale Strategies is to adopt an Adaptive and Multi Step Selection of Details and Resolution Integrated R&D and Engineering Analysis Strategies develop over the following phases and steps:
1) Definition of Multiscale Analysis Process Architecture Definition of the System Architecture and the related Manufacturing/Processing System
Identification of the reference scales of the Engineering and Manufacturing System analyzed (the selection is linked to specific analysis objectives and tasks) to be
Definition of Functions to be performed by the System for the full hierarchy of its Elements Definition of the [Requirements - Performance Properties Architecture/Structure Relationships] Definition of the overall Architecture of the Analysis Process: Multilevel Network of R&D and Engineering Phases, Analysis and Design Modules and Tasks and related relationships and interdependencies. More hypotheses can be worked out. Hypotheses are tuned and/or modified following Analysis results.
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This first step is accomplished setting up some hypotheses built upon the knowledge available at the starting time. 2) Analysis Strategies Definition Multiscale Maps, at the starting time, are built using existing information and knowledge and processing available data (historical data bases). Then, Analyses deliver new data that allow to iteratively and interactively modify first Map hypotheses. For each Task of the previously identified Tasks Network: Identification of physical and bio - chemical structures over the selected scales which are thought to be relevant for the Objectives of the Analysis [Architectural/Structural Maps] first working hypothesis
Identification of bio - chemical and physical phenomena/processes and their interdependencies underlying and characterizing the dynamics of a system and thought to be relevant to meet with the Objectives of the Analysis for the full range of the selected scales [Physics Maps] - first working hypothesis Definition of the Requirements - Performance Properties Architecture/Structure relationships inside a scale and over the range of the selected scales [Requirements - Performance Properties Architecture/Structure Maps] - first working hypothesis Identification of Manufacturing/Processing Architecture/Structures relationships (if it is needed in the analysis process) inside a scale and over the range of the selected scales [Manufacturing/Processing Architecture/Structure Maps] - first working hypothesis Definition of what kind of Information is thought to be needed to achieve Analysis Objectives for the Analysis Tasks. [Thought to be needed means that the process is iterative and interactive, we start with some hypotheses and just Multiscale Science Engineering Analyses give us the possibility of improving our evaluation] assessment of what Information at what level of accuracy and reliability can, existing analytical theories, computational models, experimental testing and sensing techniques and related coupling schemes, deliver (evaluation performed using the Multiscale Science Engineering Information Space and historical available Information). Definition of how good (Multiscale Science Engineering Information Analysis) analytical and computational models, experimental, testing and sensing models and techniques and related coupling schemes should be to get the previously identified information . That means evaluating if, where, when and to what extent we have to take into account a hierarchy of scales and develop and apply new multiscale models and new reduced order models instead of existing single and multiscale models. Not in all the cases, of course, we should go down until Schrdinger equations from the continuum. Dont Model Bulldozers with quarks (Goldenfeld and Kadanoff, 1999) Identification of what new analytical and computational models and what new experimental, testing and sensing techniques should be developed [Note : A New Approach to Analysis. The Multiscale Science Engineering Information Space and the Information Driven Analysis concepts and methods help us to identify not only what we know, but in particular, what we do not know, what we should know, how we should know it (what combination of new scientific and engineering methodologies and technologies should be needed)] Development (if it is needed) of new analytical theories, experimental, testing and sensing techniques and computational (reduced order models included) models, definition of the related coupling schemes inside a scale and between different scales. Identification of experimental, testing and sensing techniques needed to validate computational models. Definition of Verification and Validation strategies for all the models and the coupling schemes
Definition of Methodologically Integrated Strategies: what is the right combination and the right sequence of application of single (including reduced order models and analytical formulations) and multiscale computational models and single and multi scale experimental, testing and sensing models/techniques to get Information thought to be needed to accomplish specific analysis tasks [Multiscale Methodologically Integrated Strategy Maps]
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Note: from a general point of view, it can be advisable to adopt a Multiscale Multiphysics Multilevel Multistep Adaptive Modeling and Experimental, Testing and Sensing Strategy. Multistep Adaptive means that we start with some simple models, experiments and tests to get a first acquaintance of the dynamics of the system. The analysis of data, information and knowledge (Multiscale Maps) get from a first run makes it possible to adaptively increase complexity levels) of models, experiments and tests only as needed for specific tasks. 3) Analysis Execution For each Task: A first run of Computations, Experimentations, Tests and Sensor measures is performed in and out data and information flow linked to the selected computational models and experimental, testing and sensing models/techniques is tracked Data from Computations, Experimentations , Testing and Sensing is analyzed, correlated and organized using Multiscale Maps All Maps, Knowledge Domains and Strategy Modules are updated, as needed, following analysis results New Multiscale Methodologically Integrated Strategies (if it is deemed to be necessary) are formulated Evaluations of the impact of the results over Analysis and Design Hypotheses and the Architecture of Technology Development and Engineering Analysis and Design Modules are carried out The Process is iterative. We can have more iteration levels: Inside each Analysis Task of a specific Analysis Module Among Tasks inside a specific Analysis Module: results of a Task analysis can change analysis conditions for the other Tasks Inside the Multilevel Hierarchy of Modules (Architecture of the Multilevel Network of Modules can be changed) Specific Modules and Tasks can be devoted to develop Reduced Order Models, Sub Grid Models and Constitutive Equations.
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4. Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSE-TPPD) Framework
4.1 IMSE TPPD Architecture and Overview
Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSE-TPPD) Framework Architecture:
Integrated Multiscale Science Engineering Framework: basic conceptual, theoretical and methodological Framework described in the previous Chapter Multiscale Multidisciplinary Science Engineering Cyber Extended Enterprise Framework which is a new concept and as new Information Structure to describe the context where the IMSETPPD Framework operates (Paragraph 4.2) Computer Aided R&D, Engineering and Manufacturing/Processing (CARDE-MP) Framework which implements the Integrated Multiscale Science Engineering Framework (Paragraph 4.3). This new kind of Environment is conceived to address the new challenges posed by the increasingly strict links between the Engineering/Manufacturing World and the Research and Technology Development one. Multiscale Science Engineering Virtual Testing (Paragraph 4.4) Virtual Multiscale Innovative Technology and Systems Development Framework (Paragraph 4.5)
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Virtual Multiscale Life Cycle Engineering Framework (Paragraph 4.6) Multiscale Knowledge Integrator and Multiplier Cyberinfrastructural [Computing, Information and Communication (CIC)] Framework (Paragraph 4.7) The IMSE-TPPD Framework Enables a long term, systematic, organic, and effective involvement of the scientific community inside real operational innovation technology programs with specific tasks, responsibilities, and profits Compels industry to redefine the whole technology development and engineering process taking full and systematic advantage of science knowledge and progress The IMSE-TPPD Framework fundamental goal is to improve identification, generation, analysis, fusion, integration and interpretation of data, information and Knowledge associated to the different tasks in the different phases of a general Technology Development and Engineering/Manufacturing Process. and for the whole Product Life Cycle. Multiscale Science Engineering Data, Information and Knowledge Management Systems are powerful Integration Schemes because they correlate and fuse inside a coherent and comprehensive framework data, information and knowledge coming from different scientific and engineering teams, from different methodologies, from the different tasks in the different stages of the whole Technology Development and Engineering Process. Multiscale Maps and Knowledge Domains allow for an effective, organic, comprehensive and structured insertion and management of the more fundamental knowledge (basic and applied research) inside Technology Development and Engineering /Manufacturing and Operational Contexts. The IMSE-TPPD Framework (this one described in this document is only a first proposal) allows to take into account, inside a unified context, all the phenomena, from atomic and molecular scales to the engineering and operational ones which rule materials design, processing and application including life-cycle and sustainability issues. Integration of atomic/molecular scales with the micro, meso and macro worlds is a fundamental challenge for a wide industrial application of the most innovative nanotechnologies in the materials, engineering and processing areas. Multiscale Collaborative Frameworks realize a real two-way science-engineering integration from an industrial point of view and put the bases to create a new Multiscale Quantum - based Engineering World.
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4.2 Multiscale Multidisciplinary Science Engineering Cyber Extended Enterprise Framework

The classical Integrated Product and Process Development (IPPD) Framework is linked to the Enterprise concept. The new IMSE-TPPD Framework, proposed in this document, can be related to a new Scenario and Framework which can be called Multiscale Multidisciplinary Science Engineering Cyber Extended Enterprise. Multiscale Multidisciplinary Science-Engineering means that Integrated Multiscale ScienceEngineering Frameworks shape R&D and Engineering/Manufacturing, Planning, Operation and Management activities and that Systems and Infrastructures are designed and manufactured applying Integrated Multiscale Hierarchical Nano To Macro Engineering/Manufacturing Architectures Cyber means that the Multiscale Knowledge Integrator and Multiplier Computing, Information and Communication (CIC) Framework (Paragraph 4.4) : on line connection among Computational, Experimental, Testing, Sensing and Theoretical Centers and Facilities, represents the Knowledge and Nervous Infrastructure of new Industrial System. Enterprise means that the IMSE-TSD Framework shape a new University Research Civil and Infrastructural - Industry Society - Environment Cooperative Context. This new kind of Cooperation Contexts enables researchers, designers, public and private managers and politicians to synthesize a wide spectrum of different resources, methods and operational schemes and define comprehensive strategies to meet common objectives and goals. Multiscale Frameworks can be instrumental to improve correlation between operational requirements, engineering requirements and technological and scientific advances promoting and accelerating in such a way technological and engineering innovation
The Multiscale Multidisciplinary Cyber Enterprise Framework is described by the Multiscale Multidisciplinary Cyber Enterprise Map. This kind of Maps allows to describe Structure, Functions and Interdependencies among the Entities (Manufacturing Centers, Computational Centers, Research Centers, Universities, Experimental and Testing Facilities. Computing, Information and Communication Infrastructural Networks, Teams ,. ) which perform the full spectrum of R&D, Engineering and Manufacturing activities foreseen by the IMSE-TPPD Framework. We can generate several Maps linked to specific analysis objectives and linked to specific Strategy Modules. This Framework allows to get a complete and adaptive view of IMSE-TPPD structures and elements developing activities in the R&D and Engineering/manufacturing Process and related functions carried out for specific Tasks inside Strategy Modules. The Multiscale Multidisciplinary Science Engineering Cyber Extended Enterprise concept can offer scientists, researchers, public and private managers and politicians a unified context to better understand the complex pattern of relationships and interdependencies among the wide range of different aspects and issues which characterize the research and technological innovation world and, accordingly, synthesize widely scattered efforts and forge more effective unified strategies to deal with problems of increasing complexities.
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4.3 Computer Aided R&D and Engineering (CARDE-MP) Framework

4.3.1 Architecture
The Computer Aided R&D and Engineering (CARDE-MP) Framework(CAD and CAE Frameworks next generation) implements the full spectrum of concepts and methodologies described in the Chapter 3 Integrated Multiscale Science Engineering Framework. Key Elements: Multiscale Multilevel Computer Aided Design Functional Maps) (CAD) System (based upon Architectural and
Multiscale Science Engineering Data, Information and Knowledge Analysis and Management System R&D and Engineering Process Strategy Definition and Management System and Engineering Process) (Designing the R&D
Multiscale Science Engineering Computer Aided Manufacturing and Processing Environments Methodologically Integrated Multiscale Science Engineering Analysis Environments Application Specific Modules (Life Cycle, Testing, Safety & Security, Environmental Impact,) Multiscale Visualization Modules
Software Environments run over Multiscale Knowledge Integrator and Multiplier Cyberinfrastructural [Computing, Information and Communication (CIC)] Environments
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4.3.2 Multiscale Manufacturing and Processing

In the future, Multiscale Science and Engineering Integration will be an ever more critical issue for Manufacturing/Processing taking into account three fundamental issues : Technological Systems will integrate nano micro - meso macro technologies and structures. Processing and Manufacturing will have, to address nano micro meso macro issues in an integrated fashion. The development of the Additive Manufacturing field is an important step towards Multiscale Manufacturing. Environmental Issues are more and more conditioning Materials Processing and Manufacturing strategies and approaches. A clear trend is the transition from a Waste Management approach to a Clean or Green by Design strategy which rests on a fundamental (science based) understanding of processes and their interactions with the environment. Performance, optimization and operational requirements continuously pushed up call for an in depth (science based) control of physical and chemical structure of manufactured materials, parts and products and understanding of the impact of even very small defects on materials, parts and products. The Integrated Multiscale Multidisciplinary Science-engineering Framework has, in particular, a specific relevance for the following issues : analysis and design of innovative materials and manufacturing processes taking full advantage of fundamental scientific understanding analysis and design of innovative manufacturing units and systems based on scientific principles processing and manufacturing intrinsic hierarchical (Multiscale) structures, devices, and complex systems (Multiscale Processing and Manufacturing : from nano to macro) analysis, modeling and characterization of manufacturing products analysis, modeling and characterization of interactions between processing and manufacturing units and the environment for all the nominal and off-nominal operational conditions, including accidents. (this issue is becoming more and more critical and conditioning) The advent of Nano Engineering, Nano Manufacturing and 3D Digital (Additive) Manufacturing technologies put the bases for the development of Hierarchical Multiscale Manufacturing and Processing Strategies and Techniques. The whole Integrated Multiscale Science Engineering Framework theoretical and methodological apparatus can be directly applied in these fields.
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The Center for Hierarchical Manufacturing at the University of Massachusetts Amherst - NSF Nanoscale Science and Engineering Center (NSEC). The mission of The Center for Hierarchical Manufacturing (CHM) at the University of Massachusetts is to be a leading research and education center for the development of efficient, cost effective process platforms and versatile tools for the two and three dimensional integration of components and systems across multiple length scales. The approach integrates nanofabrication processes for sub-30 nm elements based on directed self-assembly, additive-driven assembly, nanoimprint lithography, high fidelity 3-D polymer template replication, and conformal deposition at the nanoscale with Si wafer technologies or high-rate roll-to-roll (R2R) based production tools to yield materials and devices with unprecedented performance for computing, energy conversion and human health. The CHM effort is made comprehensive by research on device design, modeling and prototype testing in functional architectures that takes advantage of the specific hierarchical nanomanufacturing capabilities developed by the Center. The critical challenge for the nanotechnology R&D community is the transition from laboratory innovation and discovery to efficient, cost-effective manufacturing of nanostructured components, devices, and systems. While a strong foundation of outstanding fundamental science is a prerequisite, hierarchical manufacturing requires approaches to products and processes that are built from enabling technical advantages that are scalable to high-volume manufacturing and that have multiple paths to commercialization. The CHM was established to address these formidable challenges in a comprehensive way, while providing a framework for knowledge sharing, collaboration, information distribution, and early identification of emerging technical and societal trends. The bridge to high-volume process technology is accomplished through collaborations with leading industry partners and with academic centers of excellence in process technology and is demonstrated through system-level test beds. CHM partnerships with commercial fabrication tool and process suppliers provide a mechanism by which these techniques may be widely distributed for use by the broader nanomanufacturing community. Technology transfer is aided by proactive opportunity and application identification, facilitated engagement with potential partners and establishment of a unique facility for the R2R production of functional nanostructured hybrid materials and devices. This facility includes new process tools developed in cooperation with our industry partners. The Center's educational programs reach K-12, community college, undergraduate, graduate students and the general public while the Center champions diverse participation at all levels of education and NSEC operations. Finally, the CHMs mission includes collaboration and cyberinfrastructure activities through a National Nanomanufacturing Network and a digital library-based Nanomanufacturing clearinghouse.
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Multiscale Processing It is interesting to highlight that the Processing area has been and it is one of the most sensitive and reactive field to the multiscale trend and challenge.
Fig. 11 The Chemical Supply Chain (from Prof Charpentier presentation given in year 2007 at the ESCAPE 17 Conference) This figure synthetically describes the Multiscale approach in the Chemical Engineering Field. Multiscale Strategy is now an important element of a new Frontier for Process Engineering referred to as Process Intensification. Prof., Charpentier (former President of European Federation of Chemical Engineering) has emphasized four important directions that should be considered, in the future, as part of chemical and process engineering: Increase selectivity and productivity by a total multiscale control of the processes, Process intensification: by the design of novel process and equipment based on scientific principles and new production operating methods, Product design and engineering: synthesize structured products combining several functions and end-use properties required by the customer. Implementation of multiscale and multidisciplinary computational and simulation to real-life situations with an emphasis on the understanding of the physics, chemistry and biology of the interactions involving control and safety considerations; from the molecule to the overall complex production scale into the entire production site. All these issues can be dealt with applying the previously described Integrated Multiscale Science Engineering Framework The limits of the classical approach to Chemical Engineering Design were well described, some years ago, by the words of Dr. Irving G. Snyder Jr., director of process technology development at Dow Chemical. He highlighted : "In the chemical engineering field we often know that A plus B makes C but, in many cases, we do not know the transient intermediates that A and B go through in producing C; the reaction mechanisms of all the by-product reactions; which of all the steps in the reaction mechanism are kinetically controlled, which mass-transfer controlled, and which heat transfer controlled; if the reaction is homogeneous, what takes place at every point in the reactor at every point in time; and if the reaction is heterogeneous, the diffusion characteristics of raw materials to the catalyst surface or into the catalyst, as well as the reaction, reaction mechanism, and by-product reactions within the catalyst, the diffusion characteristics of products away from the catalyst, and the nature of heat transfer around the catalyst particle".
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Key Issues for Multiscale Science Engineering Integration: Intelligent operations and multiscale control of processes. The implementation of multiscale modeling jointly with the use of multiscale computer-based control schemes and array of advanced multiscale sensors would allow to control events not only at the classical macro scale but at the microscale level (detailed local temperature and composition control) and also at the nanoscale/molecular levels. New multiscale models for predictive control and science-based technologies will make possible a very accurate control of reaction conditions with respect to mixing, quenching, and temperature profile. This science-based scheme significantly differs from the classical one that imposes boundary conditions and lets a system operate under spontaneous reaction and transfer processes. The multiscale control of processes solution would lead to an increased productivity and selectivity and opens the way to a "smart chemical engineering" to meet, at the same time, tight economic and environmental requirements. In systems in which process variables at different scales are highly coupled, controlling any single variable will generally require the development of an integrated multiscale vision and the controller to use multiple sensor inputs, and multiple actuator outputs. Innovative (multiscale) sensing and control strategies can be derived from descriptions based on fundamental principles and simulations linking different phenomena at a wide range of scales. There are clearly opportunities for new mathematical algorithmic research as well as new sensor design and development. Design of New Equipments Based on Scientific Knowledge and New Modes of Production The development of an integrated conceptual framework, which links basic scientific understanding to engineering and technological issues, makes it possible to conceive innovative equipments based on first principles. The design of new operating modes in chemical engineering and manufacturing can be linked to a science-based approach. Innovative engineering applications of reversed flow, cyclic processes, unsteady operations, extreme conditions, high-pressure technologies, and supercritical media, are largely dependent on: The ability to couple scientific and engineering knowledge and models. The development of integrated science engineering model based predictive control schemes The development and application of new micro and nano sensors and Integrated Sensor Processing devices The development of new devices (MEMS and NEMS, micro-reactors, micro separators, and micro analyzers) is, making possible accurate control of reaction conditions with respect to mixing, quenching, and temperature profile. Intelligent Processing of Materials (IPM) Intelligent Processing of Materials (IPM) is widely considered as the reference methodology for advanced materials and manufacturing processes. IPM is closely linked to a multiscale understanding of materials physics and biochemistry and its space-time transformations. The strategy which underlies IPM is to model micro and meso (and more and more also nano, taking into account the development of the Nanomanufacturing field) structural evolution during processing, sense micro/nano structural changes in real time, and use a model-based control strategy to achieve the desired micro, meso and nano structure in the finished product. A key objective is to develop advanced physicalbased models for relating the fundamental laws that govern the processes controlling the evolution of microstructures and nanostructures and the resulting physico-chemical properties. Despite continuous advances in control technologies in the materials and manufacturing processes, manufactured parts and components contains several defects at a wide range of scales. These defects have a major impact on the engineering properties of materials and structures due to increasingly tight design constraints and requirements.
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4.3.3 Multiscale Environmental Monitoring and Impact Analysis

The Environmental Issue has emerged as one of the critical challenges facing the industrial world. Efforts to reduce the pollution generated by industrial activities rely in several cases on the "end-of-the-pipe" control strategy. In this context, green chemistry means essentially pollution clean-up and waste management technologies. A more radical and innovative approach, which can be defined "clean by design", entails the re-design of chemical and manufacturing processes and units to eliminate at the root the formation of pollutants and toxic by-products. A Major problem is to design and operate Complex Systems (or Systems of Systems) Monitoring Networks to understand, predict, monitor and control Environment and Technological Systems Operational Environment Interactions Significant advances in Sensors, Computing, Information and Communication technologies enable the creation of complex networks of different types of monitoring systems operating over a full spectrum of space and time scales and a wide range of physical, chemical and biological domains. These networks are connected (also in real time) at a powerful set of experimental and computing facilities. Integrated Multiscale Science Engineering Framework and Multiscale Knowledge Integrator and Multiplier Cyberinfrastructural Frameworks (incorporating in this case multiscale sensor networks) can be applied to the Environmental fields in the following areas: Study of the multiscale spectrum of physical and biochemical phenomena/processes and the complex pattern of relationships and interdependencies between them which rule the dynamics of Environmental and Climatological Systems. This kind of analysis are instrumental to design multiscale monitoring infrastructures and related data analysis schemes Study of the multiscale (space and time) spectrum of physical and bio-chemical processes and the complex pattern of relationships and interdependencies between them and the ones which underlie dynamics of civil, infrastructural and industrial units and plants for the whole Life Cycle and for nominal and off nominal conditions, accidents included. Analyses of multiscale two - way interactions between industrial systems and the environment (humans included) for nominal and off-nominal conditions (Safety, Security, Design of Inherently Resilient and Green Systems). Designing new multiscale environmental monitoring systems able to integrate data (Multiscale Maps) from a wide range of sensors working over a whole spectrum of space and time scales with data coming from a whole set of computational models. Key Issues:
identify key variables to be monitored over a spectrum of scales and resolution levels, and at what
level of accuracy and reliability [Multiscale Maps]. We start with first hypotheses to be improved following monitoring activities and computational modeling devise a strategy to select the right type of sensors [Multiscale Science Engineering Information Space and Information Driven strategies] to monitor the previously identified key variables over the right range of space and time scales at a well-defined degree of accuracy and reliability.
identify relationships and interdependencies between physical and bio-chemical phenomena and
processes at the different space and time scales and resolution levels integrating monitoring data and computational modeling [construction of Multiscale Knowledge Maps]
define the field monitoring systems architecture at all the scales and for all the media.
define a strategy to integrate fields data with laboratory experimental analyses, in order to get a more reliable and accurate knowledge about not well known phenomena and processes recorded by sensors devise a general integration strategy which allows to link together all the previously quoted items inside a coherent and comprehensive context
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Integrated Space Time Environmental/Pollution Analysis. The Multiscale Framework enables a new Integrated Space-Time approach to environmental and pollution issues. Integrated Space-Time approach means that in this new methodological and conceptual context, we can link together inside a unified context data, information, knowledge and models which characterize the three fundamental phases which characterize the pollution process : Generation Phase (generation of pollutants inside a technological system)
Transportation/Diffusion Phase through different media (air, water, land) Interaction or Biomedical Phase( interaction with biological systems (human body included)
To accomplish the previously described analysis and monitoring activities we can devise a special set of Multiscale Maps: A) Multiscale Industrial/Civil/Infrastructural - Environmental/Human System Structural Maps which describe the Architecture/Structure and Relationships and Interdependencies (spectrum of Interactions for nominal and off-nominal operational modes) of Industrial/Civil/Infrastructural and the Environmental/Human Systems to be analyzed and monitored at several levels of resolution, scale and detail according to specific tasks and objectives and related transformations following effects of physical, chemical and biochemical phenomena and processes. B) Multiscale Monitoring Systems Maps which describe the network (Space, Air, Ground and Underground, Water) of monitoring systems, their interconnections and data flows for specific sets of physical, chemical and biochemical phenomena and processes to be monitored and the related Information Potential of the Monitoring Systems: that means what kind of phenomena at what space and time resolutions and scales and at what level of accuracy and reliability can be monitored over a spectrum of operational conditions. C) Multiscale Manufacturing/Processing Systems any level of the hierarchy - (Nominal and OffNominal) Operational Modes - Environmental Impact Maps Theses Maps represent a new Generation of Maps specifically conceived to evaluate the impact (all the typologies: pollutants, heat, waste,) on the Environment of Manufacturing/Processing Systems for a wide range of operational conditions (including the extreme and accidental ones) and design solutions. Maps describe relationships among Manufacturing System (any level), its Operational Modes and related Environmental Impact (any kind). Specific Multiscale Physical Maps describe the spectrum of physical, chemical and biochemical phenomena and processes characterizing the interaction between Industrial and Environmental Systems for a wide range of geographic scales and over multiple time scales. The previously described Maps are interrelated and hierarchically organized. Maps can be integrated to form Knowledge Domains A general Strategy based upon the Integrated Multiscale Multidisciplinary Science-Engineering Framework rest on the following issues : 1) identifying the spectrum of physical phenomena underlying the dynamics of the (natural, technological, natural-technological) system to be monitored and/or controlled over a range of space and time scales and resolution levels 2) identifying relationships and interdependencies between physical phenomena at the different space and time scales and resolution levels 3) identifying key variables to be monitored and/or controlled over the previously defined range of scales and resolution levels, and at what level of accuracy and reliability Note : Multiscale and Information-driven Analysis Schemes are well suited to carry out these tasks
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4) designing a field monitoring and control system architecture at all the selected space and time scales and resolution levels. This task call for a set of specific sub-tasks : identification of specific sensor and actuator technologies to monitor and analyze specific phenomena and processes (information-driven analysis) identification of the places where sensors and actuators are to be installed definition of an overall monitoring and controlling architecture and related operational modes definition of the characteristics of the models to be used to analyze and fuse field data and implement control schemes identification of data/information to be used for R&D and Engineering activities external to the field environment, but related to it the previous sub-tasks allow to define requirements to be met by the Computing, Information and Communication (CIC) Technology Infrastructure (HW and SW) Note : Information get from the items 1) 2) and 3) is fundamental to perform the previous task (4) and all the related sub-tasks. Specific tools and environments should be developed. to this purpose Note : Information get from the items 1) 2) and 3) is also fundamental to 5) devising a strategy to integrate fields data and information with laboratory experimental & testing systems and theory and computational models 6) defining a suitable mix of field sensors and experimental (laboratory) techniques and methods at all the scales and integrate them in order to improve the knowledge about the dynamics of the (natural, technological, natural-technological) system under observation and analysis 7) defining a general integration strategy which allows to link together all the previously quoted items inside a coherent and comprehensive context Tools, concepts and methods (Hierarchies, Map, Science-Engineering Information Space, Multiscale Science-Engineering Data Analysis Schemes, Information-Driven strategies,..) are better suited than existing methodologies to both take advantage of progress in CIC technologies and effectively address complexity of the systems to be monitored and analyzed. The key distinguishing element, in this area, is that new Science-based Multidisciplinary and Multisectoral Cooperative Environments fully integrate two Cyberinfrastructures. which normally do not follow common strategies and objectives: 1) Field Monitoring and Control Cyberinfrastructures Significant advances in Sensors, Computing, Information and Communication technologies enable the creation of complex networks of different types of monitoring systems operating over a full spectrum of space and time scales and a wide range of physical, chemical and biological domains. These networks are connected ( also in real time) at a powerful set of distributed data repositories and computing facilities. 2) R&D and Engineering (Centers and Laboratories) Cyberinfrastructures
The full theoretical apparatus described in the Integrated Multiscale Multidisciplinary Science-Engineering Framework can be directly applied to design both the Cyberinfrastructures, the related operational schemes and strategies and the overall Integration Scheme and Strategy to connect them..
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The overall Data and Information Flow is the following : data are get from field sensors and analyzed and fused by field models data from field models are fed into system control models data from field sensors are inserted into analytical and computational models and experimental equipments used by R&D centers and laboratories to improve knowledge (theory) and, accordingly, R&D models and experimental techniques. In turn, improved knowledge and models are used to work out : new models to analyze and fuse field sensors data new models for control schemes new architectures and operational modes for the network of sensors and actuators Improved theories and models can be used to develop new generation of monitoring and control technologies, devices, components and systems
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Integrated Hierarchical Multiscale Nano To Macro Monitoring Systems: From Space to Atoms and Molecules An important goal of the Strategic Multiscale is the design of Integrated Multiscale Monitoring (and Control) Systems which take full advantage of new Nano and Micro Sensor and Integrated Sensor & Processing (ISP) technologies. The following Box is related to a National Institute of Standards and Technologies (NIST) Report which highlight this need and challenge as a very critical issue: Greenhouse Gases Multiscale Multiresolution Monitoring is becoming an increasingly important issue for the modern Society in order to reliably assess the impact (footprint) of all the Human and Industrial activities over Ecosystems. The term Integrated means three Integration Streams: Multiscale Multiresolution Space Integration Multiscale Multiresolution Time Integration Sensor Systems - Experimental Facilities Integration and Sensor Systems Experimental Facilities Computational Centers Integration. The growing complexity of the Networks of Physical and Biochemical Phenomena and Processes to be Monitored and Analyzed calls for Integrated Data Analysis and Interpretation Strategies which can be carried out by Multiscale Multidisciplinary Computational Models acting as Knowledge Integrators and Multipliers. Multiscale Multidisciplinary Models integrate and fuse data from a wide range of sources (Sensors and Laboratory Facilities) to turn a Tsunami of Data into useful Knowledge. It should be taken into account that more Data does not necessarily means more Information and Knowledge. Multiscale Maps and Knowledge Domains can give a contribution to organize, structure and analyze big amount of data.
Greenhouse gases: The measurement challenge

The continuing increase in the level of carbon dioxide and other "greenhouse gases" in the Earth's atmosphere has been identified as a cause for serious concern because it may radically accelerate changes in the Earth's climate. Developing an effective strategy for managing the planet's greenhouse gases is complicated by the many and varied sources of such gases, some natural, some man-made, as well as the mechanisms that capture and "sequester" the gases. A new report sponsored by the National Institute of Standards and Technology (NIST) focuses on one of the key challenges: defining and developing the technology needed to better quantify greenhouse gas emissions. The new report, "Advancing Technologies and Strategies for Greenhouse Gas Emissions Quantification," is the result of a special workshop in the NIST Foundations for Innovation series, convened in June 2010, to bring together greenhouse gas experts from government, industry , academia and the scientific community to address the technology and measurement science challenges in monitoring greenhouse gases. A wide variety of techniques are used for measuring greenhouse gas emissions and, to a lesser extent, the effectiveness of "sinks"things like the ocean and forests that absorb greenhouse gases and sequester the carbon. The problem is that developing an effective global strategy for managing greenhouse gases requires a breadth of measurement technologies and standards covering not only complex chemical and physical phenomena, but also huge differences in scale. These range from point sources at electric power plants to distributed sources, such as large agricultural and ranching concerns, to large -scale sinks such as forests and seas. Satellite - based systems, useful for atmospheric monitoring, must be reconciled with ground-based measurements. Reliable, accepted international standards are necessary so governments can compare data with confidence, requiring a lot of individual links to forge an open and verifiable chain of measurement results accepted by all.
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4.4 Multiscale Science Engineering (or Science Based) Virtual Testing

Multiscale Modeling and Simulation is already applied in the Virtual Testing field. The following Box illustrates an interesting example of this trend:
Virtual Testing of Aircraft Structures

Text and figures are drawn from the Article: Virtual Testing of Aircraft Structures - CEAS Aeronaut J (2011) 1:83103 - Morten G. Ostergaard Andrew R. Ibbotson Olivier Le Roux Alan M. Prior Deutsches Zentrum fur Luft- und Raumfahrt e.V. 201-) 4 Multi-scale analysis In the context of virtual testing of aircraft structures, the term multi-scale analysis describes the process of sequentially coupling different analysis models at different scales and levels of fidelity. This multiscale approach requires a Level 1 prediction of the behaviour of the complete structure through a nonlinear finite element model. This is then used to define the driving boundary conditions for the next models at the more refined modelling scales, as illustrated in Fig. 3. Modelling detail is increased as successive analyses zoom in on structural regions, identified as being potentially strength-critical. At each level of model refinement, different modelling idealization principles, element types and even material and joint models might be employed. However, the underlying principle is to maintain a consistent interface and link between the different modelling scales used. All modelling and analysis methods used must be fully validated against structural testing. It is important to understand that, unlike traditional modelling techniques, where direct links between model scales are provided using built-in detail meshes or super-elements, the multi-scale analysis process discussed in this article are based on sub modelling technology available in the Abaqus software.
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However full potentialities of Multiscale Science Engineering Integration inside the Virtual Testing are still not fully exploited. In the new conceptual and methodological context described in this document, classical Virtual Testing concept should be complemented by a new concept which can be referred to as Multiscale Science Engineering Virtual Testing. Classical concepts can be regarded as a particular case of this more general concept and strategy. Classical Virtual Testing approach is applied when Applicability Conditions can be met and Predictability Criteria can be reliably evaluated also thanks to the Knowledge gained with Multiscale Science - Engineering Maps and Multiscale Science Engineering Information Space concept and method.
The concept of Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers and the extension of the concept of Model to the Experimental, Real Testing and Sensing Worlds give a new extended meaning to the term Virtual because we can use Modeling and Simulation as Pivotal and Integration Elements to shape and guide Experimentation, Real Testing and Sensing also outside the range of Modeling and Simulation Verification and Validation. This concept also allows to establish integrated two way relationships between Experimentation (Science Area), from one side, and Testing and Sensing (Engineering and Operational Areas). In other terms, Multiscale Modeling and Simulation become ever more central and important for Technology innovation, Advanced Engineering and Manufacturing/ Processing than they are in the classical view. Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers relevance to become of critical
develop accurate and comprehensive models of experimentation and testing apparatus and their interaction with the System under analysis better evaluate potentialities as well as limits of existing experimental and testing equipments and related operational modes (fundamental condition to rationally reduce testing activities) design new Multiscale Experimentation and Testing Systems outline new Multiscale Experimental and Testing operational modes
In this new context, Information Driven Analysis Schemes are key guiding principles to shape Integrated Multiscale Multiresolution Testing Strategies and integrate them inside a more general R&D and Engineering/Manufacturing Analysis and Design Strategy.
The Science Engineering Information Space concept and method, the Information Driven Multiscale Science Engineering Analysis Schemes (described in the Paragraphs 3.3 and 3.4), Multiscale Maps and Knowledge Domains are the fundamental theoretical elements we can build upon the design of Multiscale Experimentation and Testing Technologies and Strategies and their integration with parallel Multiscale Computational Methods and Strategies. The previously described theoretical and methodological apparatus allows us to formulate rational hypotheses about what experiments, tests and sensing measures are really needed to get the information we think to be necessary to characterize the behaviour of a System at a predefined level of accuracy and reliability, and, accordingly, assess the risk associated to replace experimentation, testing and sensing with computation for a specific task. This a fundamental condition to replace in a rational way testing with computation. In this new context, we can design and plan highly complex Multiscale Multilevel Testing Strategies guided by Multiscale Computational Models and related Multiscale Maps and Multiscale Information Spaces. Data, Information and Knowledge flow in a seamless and fully integrated way between Real Testing and Computational Worlds (Virtual Testing) and vice versa.
It is important to highlight that with the new theoretical and methodological apparatus, we can easily integrate inside Testing Strategies even Information Capabilities of several Experimental Facilities to analyze and explain strange or anomalous testing data . Multiscale Maps from Experimentation can also contribute to understand possible Testing Anomalies and Problems. This kind of integrated analyses can, in turn, suggest new Experimental and Testing activities other than new Computational Models.
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As far as a System or a System of Systems Testing is concerned, a problem is to transfer, in a structured way, information and knowledge get from testing carried out at a scale to the higher or lower scales and resolution levels along the whole chain: From testing carried out to characterize behaviour of materials (basic constituents of any System) [coupon testing] to testing of devices, components, sub-systems and the global system. From testing performed at the level of a System down to the device and material levels.
We should correlate Multiscale Maps and Knowledge Domains for all the scales and resolution levels. Correlation works in both the directions: bottom up and top down in a iterative and interactive way: Bottom Up: Multiscale Maps built from materials testing can be a useful basis to develop upon testing strategies for devices. Multiscale Maps built from devices testing are applied to improve testing strategies for components and so on along the scale. Top Down: results from testing at a scale can be better analyzed taking advantage of Multiscale Maps get from testing at lower scales
The Rational Design of Multiscale Testing Strategies rests upon the following issues [Multiscale Testing] Important advances in experimentation and testing techniques and in the Cyberinfrastructural environments which can link together a wide range of testing (laboratory testing, development testing, operational testing, certification testing) facilities and equipments, open the way to the integration of several testing apparatus operating in a range of domains, in different modes at a whole spectrum of resolution and scale levels to get data over a wide range of space and time scales . That is what we call Multiscale Testing : a key component of the Strategic View of Multiscale [Rational Design of Testing Strategies] : It is linked to a full integration of Computational Multiscale with the previously defined Multiscale Testing ( and Multiscale Experimentation when results coming from Testing call for a more in-depth understanding) in the context of the Modeling and Simulation as Knowledge Integrators and Multipliers Vision. This integration is made possible by the combined use of the Information Driven Science Engineering Analysis Schemes and the Science Engineering Information Space concept : Information Driven Multiscale Science Engineering Analysis Schemes allow us to better understand the network of relationships (over a wide range of scale and physical and chemical domains) among design, structural, compositional, physics variables, parameters and related dynamical behavior and what kind of information at what level of detail and fidelity and uncertainty is needed to accomplish a specific analysis task. Integrated Multiscale Science Engineering Data Analysis Schemes allow professionals to better analyze, fuse and understand the growing amount of (multiscale multiphysics) data collected from experimental and testing activities. The Science Engineering Information Space concept and method enable us to define what part of this information can be obtained from computations and what part from experimentation and/or testing. A Rational Design of (Multiscale) Testing Strategy foresees the integration of Top-Down and BottomUp approaches. A key goal of the Rational Design of (Multiscale) Testing is to reduce as more as possible the number of tests. In a medium long term perspective, some people talk about Zeroing testing. However, the reduction process is inserted inside a new conceptual and methodological context. Thanks to the theoretical and methodological apparatus described in the previous paragraphs we can identify what tests are really needed to get the information we think to be necessary to characterize the behaviour of a Systems at a predefined level of accuracy, fidelity and uncertainty and, accordingly, assess the risk associated to the replacement of testing with computation. This a fundamental condition to replace in a rational way testing with computation. Of course we refer to multiscale science based computations
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4.5 Virtual Multiscale Innovative Technology and Systems Development Framework

Innovative Technology Development Processes can be seen as a Multiscale Processes [from materials to systems from preliminary design to manufacturing and testing; from basic principles to new technologies and engineering solutions development and testing] and they can be modeled and simulated by Multiscale Science - Engineering Computational Frameworks.
Fig. 12 (from NASA) clearly illustrates the concept of Virtual Multiscale Machine in the Aerospace field.
Fig. 13 (from Georgia Institute of Technology) well describes the Multiscale Technology and Engineering Development and Integration Scenario for Complex Systems: From Atoms to Assembly, Product , Industrial System and Ecosystems The previous graphical representations have a general value. They can be applied to any technological and engineering sector
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The Integrated Multiscale Science Engineering Framework allows us to develop Computational Frameworks to model Structure/Architecture, Dynamics and Performance of Systems adopting Innovative Technologies and Architectural Solutions From a general standpoint, as far as the Innovative Technology Development Process is concerned, two development lines or Strategies are, normally, followed :
a) Bottom Up : (from basics to systems) driven by advances in basic and applied research which translate
in innovative components and subsystems like new sensors, electronics and optoelectronics MEMS and MOEMS, nanotechnologies, propellants,. which, in turn, translate into new more complex systems and architectural solutions (design space)
b) Top Down : (from Systems or (Systems of Systems) to basic (nano) technologies and (nano)
structured materials, driven by more ambitious operational and engineering requirements to be met. In both the cases we can model and simulate properties and performance of a New Engineering and Manufacturing Systems using the Integrated Multiscale Science Engineering Framework. It is obvious that applying to a large extent not validated models characterized by large Uncertainties we get only general hints about dynamics and performance of the Systems, multiscale relationships among Architectural Elements and multiscale dynamics. Notwithstanding these obvious limitations, thanks to Multiscale Simulations, we can obtain hints and ideas about what Technological and Engineering advances and innovative architectural solutions can be achieved thanks to Scientific progress (bottom up approach) and what scientific and/or basic technological advances are needed to meet engineering requirements (top down approach) The approaches can be interactively and iteratively combined. Several Hypotheses can be taken into account. What-If and Sensitivity Analyses can also be performed. As new technologies, materials, devices, components and related manufacturing processes are being developed, it possible to improve accuracy and reliability of models. Virtual Analyses can proceed following two strategies: top-down (from a complex structure and operational environment to its constituents) : requirements are set for a system at a certain scale (access scale) and the analysis is performed for the hypothetic system (several hypothesis are taken into account and modeled) considering the scales which are under the one for which requirements (and accordingly levels of performance) are being set bottom-up (from fundamentals to a complex system and its operational environment): hypotheses are formulated about the architecture of the system for scales over the initial scale taken into account. Models are developed. The analysis proceeds by evaluating how and to what extent performance and properties calculated and or measured at a certain scale (nano scale, for instance) influence dynamics and architecture/structure at the scale immediately higher (micro scale, for instance) and so on. This kind of approach is instrumental to build technology roadmaps and innovative technology development plans The approaches should be interactively and iteratively combined. Several different scenarios can be taken into account and evaluated (What if Strategy). Sensitivity Analyses can also be carried out. In this Virtual Context, Multiscale Science-Engineering Information-driven Strategy is critical to identify what kind of Information at what level of accuracy and fidelity should be needed to characterize the complex technological dynamics of the set of subsystems, components and devices and their interactions. It is important to highlight that even if we are not able to develop highly detailed multiscale models, the new proposed Framework can represent a valuable tool. Simplified models can allow researchers and engineers to jointly perform simple, but still meaningful analyses to identify critical items in the Innovative Technology and Engineering Development process and shape more effective cooperation between scientists and engineers.
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A critical issue is that present innovative technology development strategies are, in several cases, not fully able to assess the (multiscale science-engineering) information needed to develop, validate, and integrate key technologies in more complex systems. Present innovative technology development strategies are not fully information-driven or, to better say, Multiscale Science-Engineering Information-driven. The Science-Engineering Information Space and the Modeling & Simulation as Knowledge Integrators and Multipliers concepts and methods allow us to define, besides the classical Technology Roadmaps, new Integrated Multiscale Science-Engineering Information-Driven Theoretical and Methodological (computational, experimental, testing and sensing) Roadmaps which enable researchers, designers and managers to jointly identify critical scientific and engineering resources needed to develop innovative technological systems and shape more effective university-research-industry cooperative scenarios inside a unified and coherent conceptual context. Roadmaps of computational methodologies are being already drafted, but they are not fully InformationDriven and, normally, not comprehensively integrated with experimental, testing and sensing roadmaps. Computational and experimental & testing roadmaps are drafted separately without well defined links and interdependencies. Said in other words, roadmaps do not comprehensively identify and specify what information at what level of accuracy and fidelity is needed to reach new engineering and technological achievements and what information at what level of accuracy and fidelity we can get from the new outlined models and methods. Or, at least that is accomplished only or mainly at a qualitative level. The Strategic Value of the Integrated Multiscale Science-Engineering Framework is that this kind of approach enables a more in-depth and timely identification of the Scientific and Engineering Critical Issues and Domains and their relationships and interdependencies in such a way as to allow for the definition of timely integrated science-based (or science-engineering) strategies. The fundamental goals of new planning processes based upon the Integrated Multiscale ScienceEngineering Framework are to : improve effectiveness and reliability of alternative System Architectures selection process by identifying in a more comprehensive and reliable way problems linked to interactions between the System and the Operational Environment and among a wide spectrum of subsystems, components and devices which constitute the overall System Architecture which is, increasingly an inherent Multiscale Multilevel Architecture.. improve evaluation of the impact of advances in fundamental scientific knowledge over the development of innovative technology solutions and systems architectures (Bottom Up approach) improve assessment of how System Requirements propagate down the TRL chain following a Top Down approach In this prospect, the definition of performance levels and operational requirements for the system, enables, following Multiscale Multilevel analysis schemes, the identification of what are the needed features and performance of sub-systems, components, and devices and their relationships. improve assessment of the Science-Engineering Information/Knowledge needed to accomplish each step and to transition in a successful way from a step to the next one improve assessments of what information can be get by using existing analytical theories, computational models and experimental & testing techniques, and what not improve identification of the needed development paths in analytical theories, computational models, and experimental & testing techniques and what mix of resources (theories, modeling & simulation, experimental & testing techniques) are needed to develop the envisaged sub-system or component. Improve Organization of Information/Knowledge inside each TRL Phase in such a way as to make it directly and comprehensively usable and applicable in the next one along the scale.
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4.6 Virtual Multiscale Life Cycle Engineering Framework

This Paragraph is not intended to describe a new comprehensive Life Cycle Assessment Theory/Model, but propose a new scheme which foresees the application of Integrated Multiscale Science Engineering Framework concepts, methods and strategies: We consider three Multiscale Integration Lines: Multiscale modeling applied to describe the Multiscale Interconnection Network among Life Cycle Entities, Transportation Means/Systems and the Environment Multiscale Modeling applied to model structure and dynamics (analysis of emissions (any type)) of the Life Cycle Entities which characterize the Life Cycle of the Systems under analysis Multiscale Modeling applied to evaluate the impact of emissions and wastes on Humans and Environment Life Cycle Assessment Methodology can include the following Issues: 1) Identification of the Analysis Parameters, Analysis Objectives and related Metrics: Analysis Parameters can be, for instance, Architectural Solutions and Technologies applied in the full set of Life Cycle Entities, Organization and Architecture of the Life Cycle Process, Environmental Impact (and related Indicators), Energy Consumption, Resources Consumption, Safety and Security,. 2) Definition of the Boundary Conditions. Said in other terms, what step of the System Life Cycle are included in the Modeling. A full LCA should include a cradle-to-grave approach by considering each step/stage/phase of the life cycle: [Product Life Cycle] design/development of the product, raw material acquisition, distribution use/maintenance/re-use, disposal, recycle [Process Life Cycle] materials processing, manufacturing, disassembly, remediation, restoration. [Transportation Life Cycle] all the Transportation Activities, Routes, Means and Systems (Ground, Water, Aerial 3) Definition of Multiscale Architecture/Structure the System whose Life Cycle Assessment (LCA) has to be performed. Multiscale Architectural/ Structural Maps can be used
Fig. 14 System Hierarchical Decomposition
Multiple Space Scales: the figure (drawn from the Multiscale Life- Cycle Assessment Working Paper Number 6- T. E. Graedel, T. Lanzano, and W. Pott - Yale School of Forestry & Environmental Studies; R. J. Araujo Sikorsky Aircraft Corporation) illustrates, in a simplified manner, how any System or System of Systems can be decomposed in to a hierarchy of Elements of varying degree of complexity ( Systems, Sub - Systems, Components, Parts, Materials)
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4) Definition of the System Life Cycle Process Architecture: identification of the Life Cycle Process Stages/Phases for the System under analysis and all its components (Multiscale Analysis) and related order of execution and Multiscale Interconnection Network (Each Stage/Phase/Step of the Life Cycle Process for all the System Components can be considered as a Node of the Multiscale Interconnection Network). This kind of Map describe: Inputs of each stage (Energy utilized during the stage and Materials (any kind of Hardware from raw materials to sub-systems) Typology of Activities(Operations carried out and related Hardware Transformations) Outputs (wastes and emissions (any typology) and land/water modifications)
Fig. 15 Life Cycle Stages
Time Scales: The Figure illustrates in a simplified way how any Life Cycle /a Building in this case) can be decomposed into several stages (from resources extraction, materials processing, parts/components manufacturing, (parts, components, subsystems and systems) assembly, operations, disposal, recycling following one another over time. 5) Definition of the Transportation Life Cycle. This kind of Map describe: Characteristics of Transportation Solutions: Technology, Engineering Solutions, Energy Consumption, Emissions The Multiscale Interconnection Network Characteristics of what is being transported 6) Multiscale Impact assessment: This Issue consists of analyzing the Impacts (taking into account Short, Medium and Long Term Effects over a spectrum of Space Scales) of waste, emissions and land/water transformations over Humans and Environmental Systems. Several variables and phenomena/processes can be accounted for: climate change, stratospheric ozone depletion, tropospheric ozone creation (smog), eutrophication, acidification, toxicological stress on human health and ecosystems, resource depletion, water use, land use, noise and others. This Issue is a primary Target for the Integrated Multiscale Science Engineering Framework Modeling at several levels of scale, resolution and details the Life Cycle System would allow to carry out What If and Sensitivity Analyses. We can envision the development of a Virtual Multiscale Life Cycle Engineering Machine
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4.7 Multiscale Science - Engineering Knowledge Integrator and Multiplier Computing, Information and Communication (CIC) Infrastructural Framework
New Cyberinfrastructures (GRIDS) (or Computing, Information and Communication Infrastructures) represent the Infrastructural and Technological Layer for the Integrated Multiscale Science Engineering Technology, Product and Process Development (IMSE-TPPD) Frameworks. Multiscale Science Engineering Knowledge Integrator and Multiplier means that: the Integrated Multiscale Science Engineering Framework can be used to design the Architecture of Cyberinfrastructures: what kind of resources are interconnected with specific functionalities and performance) for specific Research, Environmental, Engineering, Manufacturing, Monitoring and Control purposes. The Multiscale Modeling and Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domains concept (Paragraph 3.5) and related Methodologically Integrated Multiscale Science Engineering Strategies (Paragraph 3.8.1) shape Cyberinfrastructure Operational Modes and Application Strategies. Specific Resources and Services can be activated, tailored and integrated in an adaptive way for specific Tasks. This new kind of Cyber Infrastructure links together the full spectrum of Computational, Experimental, Theoretical, Testing Centers and Networks of Earth and Space based sensor systems according to Unified Multiscale Science - Engineering Strategies.
Fig. 16 (from US Department of Energy) A possible representation of Science Engineering Cyberinfrastructure.
Multiscale Multidisciplinary
Inside these Cyber Environments it is possible to connect an increasingly number of experimental and testing equipments and facilities working over a full spectrum of space and time scales and ever more powerful computational, visualization and data management centers and systems. Integrated Multiscale Visions and Strategies are needed to effectively manage and take advantage of all of these resources. The Integrated Multiscale Science Engineering Framework allows us to realize a synergistic integration of advances in Computational Multiscale Science Engineering Methodologies (Multiscale) Experimentation and Testing Technologies and Equipments (Multiscale) Sensor (and Actuators) Technologies Computing, Information and Communication Systems
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The Integrated Multiscale Science-Engineering Framework theoretical and methodological apparatus allow us to : Design Cyberinfrastructural Operational Architectures and Operational Modes. That means defining what Computational, Experimental and Testing Teams, Resources and Facilities, Data Management Systems University Research Industry Users Field Sensors Networks should be connected inside the Cyberinfrastructure for specific objective and tasks Design of Multiscale Multiphysics Data Analysis and Fusion Schemes and Strategies for specific objectives and tasks Define Methodologically Integrated Strategies (full interactive (dynamic) integration of computations, experimentations and tests over a full spectrum of space and timescales) to coordinate the use of different resources of different nature inside an Integrated Strategy for specific objectives and tasks. The Multiscale Science - Engineering Knowledge Integrator and Multiplier Computing, Information and Communication (CIC) Infrastructural Framework foresees: A New Generation of Computational Centres referred to as Integrated Computational Multiscale Science - Engineering Knowledge Integrator and Multiplier Centres These Centres would be based upon the new central concept of Multiscale Multidisciplinary Modeling and Simulation as Knowledge Integrators and Multipliers and Unifying Paradigm for the full spectrum of Scientific and Engineering Domains and (analytical, experimental, testing, sensing) Methodologies. A two way partnership among the new envisaged Computational Centers and Experimental, Testing and Sensing Centers, Systems and Facilities is a distinguishing feature of this new vision. Furthermore, Computational Centers, following the Knowledge Integrators and Multipliers view will become a key node and catalyst of multiple interaction patterns between the Experimental, Testing and Sensing Worlds. Significant technological advances allow to design and implement remote control techniques for experimental, testing and sensing systems. Accordingly, new Computational Centers can easily interact with extended Virtual Distributed Environments which integrate a wide spectrum of equipments and facilities allowing a network of multiple cooperations.New previously illustrated concepts, methods and frameworks lead to a new set of Functionalities for the Centres: a) Integrated Environment for jointly (cooperating with Experimental, Testing and Sensing, Teams) Designing Integrated Computational and Experimental, Testing and Sensing Frameworks and Strategies b) Integrated Environment for the construction of Multiscale Multidisciplinary Science Engineering Knowledge Domains which turn Data coming from a full spectrum of scientific and engineering sources (data bases, computations, analytical formulations, experimentation, testing and sensing) into Multiscale Multidisciplinary Knowledge Domains c) Integrated Environment for the Development and Validation of advanced Multiscale Computational Models and Frameworks
New Computational Centres become Portals to a Composite Multidisciplinary Multiscale Science Engineering World
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Integration of Supercomputing and Experimental Resources Blue Collar Computing - Polymer Portal Collaboration Program:
Blue Collar Computing (BCC) is a collaborative program sponsored by the Ohio Supercomputer Center (OSC) to help industry gain easy and affordable access to advanced computing technologies. With support from the Ohio Board of Regents, OSC launched Blue Collar Computing in 2004. The Ohio Supercomputer Center built an Integrated Virtual Environment called Polymer Portal Collaboration which enables researchers and designers to effectively use and integrate a wide spectrum of computational, experimental/testing and data repository resources. It could be a valuable example of a New Generation of Supercomputing Centers. The following figures illustrate Polymer Portal functionalities:
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About the Author

- Alessandro Formica, born in Milano (Italy) 3/20/51 - University Education : Nuclear Engineering at Polytechnic of Milan. - E Mail formicaalessandro@yahoo.com and (backup) alexx.formica@libero.it Professional Skills - Alessandro Formica has more than thirty years of experience in the following fields: Analysis, Design and Management of Computer-Aided Engineering, Computing, Information and Communication, Modeling and Simulation, R&D and Engineering Projects and Initiatives (Aerospace and Defense, Chemical and Environmental Engineering, Materials, High Performance Computing,.) in the European and International scenario. Design and Management of European and International Cooperations Design and Management of European and International Events (Conferences and Workshops) Scenario, Marketing and Development Trend Analyses Design of Large Scale Projects and related Innovative Visions Professional Experiences (synthetic list): ARS S.p.A. (ENI Group R&D and Engineering Company), Director of Advanced Projects; Engineering Systems International, Head of Italian Branch; Singapore Government Industrial Group, Consultant; RCI Ltd. [US based International Consortium, operating in the Modeling & Simulation and High Performance Computing areas] European Scientific Director, Director of Business Development and Strategic Initiatives; RCI Consulting Branch, European Director; Executive Office of US President, Consultant [HPC Scenario, Development Trends, Advanced Applications Analyses]; HPC companies (Cray, Convex, Gould), Consultant [Modeling and Simulation Application to R&D and Engineering Fields]; European Space Agency, Consultant; Alenia Space, Consultant; Swiss Center for Scientific Computing (CSCS), Consultant; Computer Sciences Corporation, Consultant; Alenia Aeronautica and Finmeccanica Group, Consultant; Torino Wireless, Large Projects Direction, Consultant; Polytechnic of Milano, Consultant [European Programs]; Polytechnic of Turin, Consultant (HPC and Modeling & Simulation Advanced Applications and Development Trends]; Polytechnic of Turin School of Doctorate Lecturer for Multiscale Science Engineering Integration; EUMAT (European Union Materials Technology) Platform Working Group 2 Modeling and Simulation member and consultant; Polimeri Europa (ENI Group Chemical Company), Consultant; Nanoshare consultant (Nanoshare is a new company promoted by University and Research Italian Ministry and involving Rome University Tor Vergata and people from Rome University La Sapienza); ISMB (Polytechnic of Turin and Compagnia di San Paolo Information and Communication Technologies Research and Development Center) Consultant;
The Strategic Multiscale Document and the related Strategic Multiscale Framework synthesize several years of studies and consulting activities by the author in the field of Multiscale Science Engineering integration and its application to Research, Technology Development and Engineering. Studies on Multiscale started at the beginning of the nineties when Alessandro Formica held the position of RCI Ltd (US based HPC International Consortium) European Scientific Director and Aerospace & Defense Area Director.
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A first European Workshop on the Multiscale Science Engineering Integration was organized by Formica at ONERA (French Aerospace Research Center) premises in Paris (1996). Studies about Multiscale and Applications were performed for EU and several European US Government Organizations. In the Report Fundamental R&D Trends in Academia and Research Centres and Their Integration into Industrial Engineering (September 2000), drafted for European Space Agency (ESA), a first version of an Integrated Multiscale Science - Engineering Framework was outlined and its impact on R&D and Engineering analyzed. The White Book Multiscale Science Engineering Integration A New Frontier for Aeronautics, Space and Defense (May 2003) promoted by Italian Association of Aeronautics and Astronautics (AIDAA) introduced the concept of Strategic Multiscale and a more refined version of the related Integrated Framework. A Framework version specifically conceived for Industrial Applications: Integrated Multiscale Science Based Technology, Product and Process Development was applied in the context of the consulting cooperation with Alenia Aeronautica and Finmeccanica Group (November 2006). Consulting activities with Alenia Aeronautica and Finmeccanica gave the birth to one of the largest R&D Project in the Defense Area funded by Italian Ministry of Defense and named Nanotechnology Multiscale Project. The Strategic Multiscale A New Frontier for R&D and Engineering document which describes the Formica Vision of the Multiscale Science Engineering Integration has contributed, in the last years, to define the Computational Modeling Vision of the European Technology Platform for Advanced Engineering Materials and Technologies (EUMAT). Multiscale Analyses and Studies were also carried out on behalf of Polytechnic of Milan and Turin and in cooperation with University of Rome La Sapienza and University of Rome Tor Vergata. Seminars and Lectures on Multiscale, in the recent years, were held at Polytechnic of Milan, Polytechnic of Turin, Centro Sviluppo Materiali, Finmeccanica Group, Italian Ministry of Defense, Polimeri Europa (ENI Group), University of Rome La Sapienza and University of Rome Tor Vergata.
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Strategic Multiscale Framework For Materials and Industry

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Strategic Multiscale Framework

3.8 Designing the R&D and Engineering/Manufacturing Processes. pag. 44

3.8.3 Integrated R&D and Engineering Analysis Strategies. pag. 51

About the Author.. pag. 77

Alessandro Formica, March 2014

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1. Multiscale and The Future of Technology Innovation, Engineering and Manufacturing

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Fig. 1 Multiscale (Nano To Macro) System Design (MIT)

which represents a key goal of the Strategic view of multiscale.

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2. Strategic Multiscale Framework Architecture

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3. Integrated Multiscale Science - Engineering Framework

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A) R&D And Engineering (for systems of any kind of complexity)

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This kind of Maps gives a comprehensive picture of the:

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Physics Maps are software environments which describe :

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B) Manufacturing and Processing

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3.3 Multiscale Science - Engineering Information Space

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The Predictivity and Validation Issues

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3.4 The Information Driven Concept and Analysis Scheme

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Alessandro Formica, March 2014

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Alessandro Formica, March 2014