Computational Materials Science Course-2

Graduate Course, SUSTECH, Shenzhen, China, 2021

This Course provided graduate students with hands-on training in computational materials science with COMSOL code. Topics included:

Course content

  • Introduction of Finite Element Analysis
  • General Procedure of Finite Element Analysis and Usage of COMSOL
  • General Procedure of Finite Element Analysis and Usage of COMSOL
  • Building 1D and 2D structures using COMSOL
  • Building 3D structures using COMSOL
  • Mesh generation using COMSOL
  • Solving equations using COMSOL
  • Finite Element Analyses of Heat Transfer
  • Finite Element Analyses of Fluid Dynamics
  • Finite Element Analyses of Mass Transfer
  • Finite Element Analyses of Electrostatics
  • Finite Element Analyses of Electromagnatic Field
  • Finite Element Analyses of Geometrical Optics
  • Finite Element Analyses of Semiconductors-part1
  • Finite Element Analyses of Semiconductors-part2
  • Finite Element Analyses of Li-ion Battery-part1
  • Finite Element Analyses of Li-ion Battery-part2
  • Finite Element Analyses of Hydrogen fuel cells-part1
  • Finite Element Analyses of Hydrogen fuel cells-part2
  • Finite Element Analyses of Solid Mechanics
  • Home work answers and mini answer

Course Structure

  1. Weekly lectures (2 hours)
  2. hands on practice (linux supercomputer server)
  3. Daily home works
  1. J. Hafner, C. Wolverton, and G. Ceder; Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research, https://doi.org/10.1557/mrs2006.174
  2. A. E. Mattsson et al., Designing meaningful density functional theory calculations in materials science—a primer, http://doi.org/10.1088/0965-0393/13/1/R01
  1. Computational Science and Engineering, Gilbert Strang, Wellesley-Cambridge Press, 2007 (ISBN: 978-0-9614088-1-7). 2.COMSOL Multiphysics Finite Element Method for Multiphysics Modeling and Analysis By William B. J. Zimmerman, 2007 (ISBN: 978-7-114-06857-7).