PROGRAM

Monday PM July 3, 2017

14:00 Registration Entrance of IMR Lecture Hall

18:30 Welcome Reception 3rd floor, IMR canteen

Tuesday AM July 4, 2017 Venue: IMR Lecture Hall

08:00 Registration Entrance of IMR Lecture Hall

Opening Session Welcome & Opening Chair: Dongsheng Xu

09:00 Rui Yang; Director, Institute of Metal Research, CAS

Xingao Gong; Fudan University, China
Guanghong Lv; Beihang University, China
Dongsheng Xu; Chair of ISM3, Institute of Metal Research, CAS

Session 1 Fatigue and Microstructure Chair: Anthony Rollett

09:30 Dwell Fatigue in Titanium Alloys: An Assessment of Rate Sensitivity,

Temperature, Morphology and Stress State
Fionn Dunne1, Ben Britton1, Daniel Balint1, Mitch Cuddihy1, Terry Jun1, Zhen
Zhang1, Zebang Zheng1; 1Imperial College, UK

10:00 Twin boundaries: Stronger or weaker?

Zhefeng Zhang1, Linlin Li1, Zhenjun Zhang1, Peng Zhang1; 1Institute of Metal
Research, Chinese Academy of Sciences

10:30 Break

Session 2 Integrated Computation Chair: Fionn Dunne

10:45 Computer Simulation for Additive Manufacturing

Anthony Rollett1; 1Carnegie Mellon University, US

11:15 Bridging atomistic and FEM via phase field for ICME
Duchao Lv1, Pengyang Zhao1, Dong Wang2, Steve Niezgoda1, Mike Mills1 and
Yunzhi Wang1,2; 1Department of Materials Science and Engineering, The Ohio State
University, US; 2Center of Microstructure Science, Frontier Institute of Science and
Technology, Xian Jiaotong University, China

11:45 A Case Study of High-strength Ti Alloy via the Integrated Computational

Materials and Engineering (ICME) Approach
Jinshan Li1, William Yi Wang1, Bin Tang1, Jun Wang1, Chengxiong Zou1, Ying
Zhang1, Hongchao Kou1; 1Northwestern Polytechnical University, China

12:15 Group Photo Front of Shi Changxu Building

12:20 Lunch IMR Canteen

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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 PROGRAM

Tuesday PM July 4, 2017 Venue: IMR Lecture Hall

13:00 Poster Deployment Front of IMR Lecture Hall

Session 3 Thermodynamics Chair: Yunzhi Wang

14:00 On the Use of Virtual Chemical Potentials in the Thermodynamic Modelling of Alloys
Alan Oates1; 1University of Salford, UK / Melbourne, Australia

14:30 Advances of Simulation Tools on Computational Thermodynamics and Kinetics

of Multicomponent Alloys
Fan Zhang1, Weisheng Cao1, Chuan Zhang1, Shuanglin Chen1, Jun Zhu1, and
Duchao Lv1; 1CompuTherm LLC, US

15:00 Simulation of microstructure evolution for WC-Co and TiC-Ni during sintering via
coupling phase field method to multicomponent thermodynamic and thermophysical
databases
Yong Du1, Yingbiao Peng2, Kaiming Cheng3, Yi Kong1, Peng Zhou4, Weibin Zhang1, Cong
Zhang1; 1State Key Lab of Powder Metallurgy, Central South University, China; 2Hunan
University of Technology, China; 3Shandong Key Lab for High Strength Lightweight
Metallic Materials, Shandong Academy of Sciences, China; 4Hunan University of Science
and Technology, China

15:30 Break

Session 4 Materials Modeling Chair: Roman Voskoboynikov

15:45 Phonon Engineering for RE-silicate EBC candidates: challenges and

opportunities
Jingyang Wang1; 1High-performance Ceramics Division, Shenyang National
Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of
Sciences

16:15 Phase field modeling of pattern formation from multimodal instabilities

Yong Ni1; 1University of Science and Technology of China

16:45 Multiscale Modeling of CNT-ReinforcedCementitious Composites

Kim Meow Liew1; 1City University of Hong Kong

18:00 Poster Session and Reception Front of IMR Lecture Hall

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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 PROGRAM

Wednesday AM July 5, 2017 Venue: IMR Lecture Hall

08:00 Registration Entrance of IMR Lecture Hall

Session 1 Atomic-scale Simulations Chair: Alan Oates

09:00 Ab Initio Modeling of Dislocation Core Properties

David Rodney1; 1University of Lyon, France

09:30 Atomic-scale simulations of primary damage formation in Ti-Al structural

intermetallics.
Roman Voskoboynikov1; 1NRC Kurchatov Institute, Russia

10:00 Large-scale MD-KMC Simulation on Sunway TaihuLight supercomputer

Yunquan Zhang1; 1Institute of Computing Technology, Chinese Academy of Sciences

10:30 Break

Session 2 Defect Properties Chair: David Rodney

10:45 Atomistic prediction of pressure-promoted thermal rejuvenation and high

pressure phase of metallic glass
Shigenobu Ogata1; 1Osaka University, Japan

11:15 Counter-balance between intrinsic structure and extrinsic chemistry to dictate

structural evolution in Yb-filled skutterudite thermoelectrics
Hui Gu1; 1School of Materials Science & Technology and Materials Genome
Institute, Shanghai University, China

11:45 Interactions between Point Defects and Dislocations in bcc Iron using SEAKMC
Haixuan Xu1; 1University of Tennessee, US

12:15 Lunch IMR Canteen

Wednesday PM July 5, 2017 Venue: IMR Lecture Hall

Session 3 High-throughput Techniques Chair: Shigenobu Ogata

14:00 Integrated Computations and Databases for Ni-Co-based Alloys

Xiao-Gang Lu1; 1Shanghai University, China

14:30 Design of Ti-Alloy by Integrating High Throughput Experiments and

Calculations
Libin Liu1; 1Central South University, China

15:00 Managing High-throughput Computational Material Science: the MatCloud

Platform and Infrastructure
Xiaoyu Yang1; 1Computer Network Information Centre, Chinese Academy of
Sciences

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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 PROGRAM

15:30 Break

Session 4 Materials Genome Chair: Libin Liu

15:45 Identifying Controlling Factor to the Deformation and Transformation in

Titanium Alloys by Materials Genome Approach
Dongsheng Xu1, Hao Wang1, Jinhu Zhang1, Chunyu Teng2, Rui Yang1; 1Titanium
Alloys Division, Institute of Metal Research, Chinese Academy of Sciences; 2China
Aero-Polytechnology Establishment, China

16:15 Computational Design of Multinary Compound Semiconductors as Photovoltaic

Materials
Shiyou Chen1; 1East China Normal University, China

16:45 Investigation of nanostructured alloy configurations using a Monte Carlo

method with grain boundary segregation states
Tongjai Chookajorn1; 1National Metal and Materials Technology Center, Thailand

17:15 Poster Award Ceremony

18:30 Conference Dinner Shuishang ()

Thursday AM July 6, 2017 Venue: IMR Lecture Hall

08:00 Registration Entrance of IMR Lecture Hall

Session 1 Microstructure Simulation Chair: Dongsheng Xu

09:00 Strain glass transition in shape memory alloys

Dong Wang1, Yunzhi Wang2; 1Xi'an Jiaotong University, China; 2The Ohio State
University, US

09:30 Phase Field Crystals Modeling for Microstructure Evolution of Materials

Ying-Jun Gao1;1Guangxi University, China

10:00 Extreme-scale phase field simulations on the Sunway TaihuLight supercomputer

Jian Zhang1; 1Computer Network Information Centre, Chinese Academy of
Sciences

10:30 Break

Session 2 Alloy and Process Design Chair: Dong Wang

10:45 Accelerating aerospace alloy development through ICME technique

Junsheng Wang1; 1Beijing Institute of Technology, China

11:15 A Coupled Thermal-Mechanical-Metallurgical Model for Virtual Processing

Design
Namin Xiao1; 1AECC Beijing Institute of Aeronautical Materials, China

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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 PROGRAM

11:45 Atomistic experimental and simulation investigation on the modification of Al-

Si alloys
Jiehua Li1; 1University of Leoben, Austria

12:15 Lunch IMR Canteen

Thursday PM July 6, 2017 Venue: IMR Lecture Hall

Session 3 Chair: Hao Wang

14:00 MatCloud
Xiaoyu Yang1; 1Computer Network Information Centre, Chinese Academy of
Sciences

14:30 Atomic-scale mechanisms of pinning effect of second-phase particles in copper

alloys and its quantitative modeling
Jian Zhou1, Chao Li1, Miao Guan1; 1Shagang School of Iron and Steel, Soochow
University

15:00 Crystal plasticity modeling of shear banding in rolled multilayered Cu-Nb

composites with different initial layer thicknesses
Nan Jia1, Xiang Zhao1, Dierk Raabe2; 1Northeastern University; 2Max-Planck-
Institut fr Eisenforschung

15:30 Break

Session 4 Chair: Xiaoyu Yang

15:45 Materials Computing in High Performance Computing Grid

Rui Niu1; 1Beijing PARATERA Tech Corp., Ltd.

16:15 Tri-I Biotech

16:45 DAWNING

17:15 Dinner IMR Canteen

Friday AM July 7, 2017 Venue: IMR Lecture Hall

9:00 Additive Manufacturing
Anthony Rollett; Carnegie Mellon University, US

10:00 Break

10:15 Thermodynamics
Alan Oates; University of Salford, UK / Melbourne, Australia

11:15 Closing Remark

12:15 Lunch IMR Canteen

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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Friday PM July 7, 2017 Venue: IMR Lecture Hall
Closure

ISM3, July 3 - 7 2017, IMR CAS, Shenyang, China

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