ME 450 – Multiscale and Multiphase Computational Fluid Dynamics (Fall 2020)

Lehigh University, Department of Mechanical Engineering and Mechanics

Class Meetings : M/W (3 – 4:15 PM; Zoom link: https://lehigh.zoom.us/j/97943422196)

Instructor : Profs. Y. Liu and E. B. Webb III
Email Address: : yal310@lehigh.edu, ebw210@lehigh.edu
TA : N/A
Office Hours : TBD
Textbooks : 1) John Anderson, Computational Fluid Dynamics, McGraw, 1995
2) Allen and Tildesley, Computer Simulation of Liquids, Oxford, 1989

No Day Date Topic to be Covered

1 M Aug. 24 Intro
2 W Aug. 26 Linux
3 M Aug. 31 CFD
4 W Sep. 2 CFD
5 M Sep. 7 CFD
6 W Sep. 9 CFD
7 M Sep. 14 CFD
8 W Sep. 16 CFD
9 M Sep. 21 CFD
10 W Sep. 23 CFD
11 M Sep. 28 CFD
12 W Sep. 30 CFD
13 M Oct. 5 MD
14 W Oct. 7 MD
15 M Oct. 12 MD
16 W Oct. 14 MD
17 M Oct. 19 MD
18 W Oct. 21 MD
19 M Oct. 26 MD
20 W Oct. 28 MD
21 M Nov.2 MD
22 W Nov.4 MD
23 M Nov.9 App
24 W Nov.11 App
25 M Nov.16 App
26 W Nov.18 App
M Nov.23 *** Pacing Break ***
W Nov.24 *** Pacing Break ***
27 M Nov.30 App
28 W Dec. 2 App

Grading: Homework – 60%, Final Project – 40%.

Description of Course Content: This course encompasses topics about numerical simulation techniques germane
to engineering research and design. The course is an extension of ME413 numerical analysis to advanced topics
and applications, with emphasis on multiphysics simulation. The course starts with an introduction to the concepts
and lexicon of modeling and simulation. A significant amount of time is dedicated to developing the student’s
understanding of computational fluid dynamics and particle (molecular) dynamics techniques. High performance
computing for simulation of large scale system is introduced. Finally, application examples such as molecular
wetting, multiphase flow in channels, multiphysics modeling, are discussed.

The main topics to be covered:

• Advanced topics in numerical analysis: solving nonlinear problems, iterative solvers, time stepping
• Introduction/tutorial of computational fluid dynamics (CFD) and molecular dynamics simulation (MD)
• Multiphysics modeling: coupling of different physics
• Intro to high performance computing for engineering
• Applications

Tentative schedule

Introduction to Modeling and Simulation in Engineering 0.5 weeks

Introduction to high performance computing with LINUX tutorial 0.5 weeks
Computational fluid dynamics 5 weeks
- governing equations: overview of fluid dynamics
- finite difference method in CFD: SIMPLE
- finite element method in CFD
- CFD process and commercial/opensource software: ANSYS, COMSOL, IB2D
Molecular dynamics 5 weeks
- particle simulation methods and statistical mechanics
- ensembles and boundary conditions; thermostats, barostats
- force fields; time integration methods
- computing thermodynamic properties from particle simulations
- static versus dynamic properties and correlation functions
Application in Multiphysics/Multiphase modeling 3 weeks
- capillary flow and contact line modeling, molecular wetting
- hydrodynamics of complex fluids
- stress/strain across length scales
- fluid-structure interaction, biofluids
- electrokinetics

Course project
You can choose a topic that interests you in the field of numerical modeling/computing. The course project topic
must be approved by the instructor before you start doing your projects. Students are required to perform a
research project that will be completed with literature reviews, problem setup, numerical analysis of the problem
that is chosen. Students are encouraged to choose their own topic, but tentative topics will also be provided.
Accommodations for Students with Disabilities: If you have a disability for which you are or may be requesting
accommodations, please contact both your instructor and the Office of Academic Support Services, University
Center 212 (610-758-4152) as early as possible in the semester. You must have documentation from the Academic
Support Services office before accommodations can be granted.

To meet the challenge of teaching and learning during the COVID-19 pandemic, Lehigh instructors and students
will be adopting new forms of instruction and interaction; following new guidelines around classroom behaviors;
enhancing communications; and doing our best to be patient, flexible, and accommodating with each other. In
remote synchronous meetings, students are expected to attend just as they would any other Lehigh class. Zoom
classes work best when all students come to class ready to participate and follow the instructor’s guidelines
regarding use of web-cameras. You may be asked to turn your camera on during active learning sessions in Zoom.
If you have a strong preference not to do so, please contact your instructor to let them know. Students should
respect the in-classroom privacy of their instructors and fellow students by not taking screenshots or recording
class sessions. Some instructors will record Zoom sessions; however, any recorded live sessions will be shared
only with students in the class and will be deleted at the end of the semester.
In our physical classrooms, Lehigh has established a policy requiring everyone to wear face coverings when in
public spaces inside buildings on our campus and to maintain social distance. This policy applies to our physical
classroom. Thank you in advance for following this rule. Students who do not wear a face covering during in-class
meetings will be reminded to put their face covering on. If they do not do so, they will be asked once again to do
so or leave the classroom.