Special Session 9
COMPUTATIONAL/THEORETICAL MODELING OF DIFFUSION KINETICS IN MATERIALS (SS9)
Traditionally diffusion has been investigated mainly via experiment. In recent years, computational modeling has shown strong power in the prediction of diffusion in various materials, particularly with the development of density functional theory and the machine learning techniques. Other simulation methods such as CALPHAD and phasefield modeling are developing fast for modeling diffusion. Thus, this session focuses on the latest developments in diffusion modeling and simulation.
Diffusion simulation techniques (but not be limited to):
- Density functional theory
- Molecular dynamics
- Theoretical/phenomelogical models
- CALPHAD
- Phase-field models
- Machine learning techniques
ORGANISER(S):
Dr. Xi Zhang University of Stuttgart, Germany
xi.zhang@imw.uni-stuttgart.de
PUBLICATION:
DEFECT AND DIFFUSION FORUM
by Trans Tech. Publications
Cited in SCOPUS and Google Scholar
https://www.scientific.net/DDF/Details
INVITED SPEAKER(S):
‘REVISED THEORY OF CROSS TRANSPORT PHENOMENA’ Prof. Zi-Kui Liu
Pennsylvania State University,
USA
Prof. Long-Qing Chen
PSU,
USA
Prof. Blazej Grabowski
University Stuttgart,
Germany
Prof. Chu-Chun Fu
CEA-Saclay,
France
Prof. Jörg Neugebauer
MPI-SusMat,
Germany
Prof. Hui-Chia Yu
Michigan State University,
USA
‘A UNIFIED UNDERSTANDING OF THE EFFECTS OF
MOBILE INTERSTITIALS ON VACANCY DIFFUSION’ Prof. Shigenobu Ogata
Osaka University,
Japan
‘PREDICTIVE ATOMISTIC MODELING OF DIFFUSION AND
SOLIDIFICATION IN METALS AND ALLOYS’ Prof. Rodrigo Freitas
MIT,
USA
Dr. Timofey Frolov
LLNL,
USA
Prof. Fei Gao
University of Michigan,
USA