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

• 

  Prof. Liang Qi University of Michigan,
  USA
  qiliang@umich.edu

• 

  Prof. Anton Van Der Ven University of California Santa Barbara,
  USA
  avdv@engineering.ucsb.edu

INVITED SPEAKER(S):

• 

  Prof. Zi-Kui Liu Pennsylvania State University,
  USA

• 

  Prof. Jörg Neugebauer MPI-SusMat,
  Germany

• 

  Dr. Chu-Chun Fu CEA-Saclay,
  France

• 

  Prof. Shigenobu Ogata Osaka University,
  Japan

• 

  Prof. Fei Gao University of Michigan,
  USA

• 

  Prof. Anirudh Natarajan EPFL,
  Switzerland

• 

  Prof. Yuwen Cui Nanjing Tech University,
  China