|
|
Interatomic potentials for transition metals and their compounds
April 12, 2010 to April 14, 2010
Location : CECAM-ETHZ, Zurich, Switzerland
Map of the ETH Honggerberg campus
|
|
|
|
|
| |
- Atomistic Modelling of Defects in Metals from Hard Spheres to DFT
Vasek Vitek - First-principles calculation and atomistic simulation of extended defects in transition metals
Christian Elsaesser, Matous Mrovec, Adham Hashibon, Peter Gumbsch - Needs for empirical potentials for nuclear materials to complement DFT calculations
Francois Willaime, C.-C. Fu, M.C. Marinica, L. Ventelon - Magnetic tight binding models for iron and its interstitial impurities in k-space
Tony Paxton - Modeling Ni-C alloys to study the growth of carbon nanotubes and graphene sheets
Francois Ducastelle, H. Amara, Ch. Bichara - Model Hamiltonian for Developing Magnetic Interatomic Potentials: Application to Fe and Fe-Cr Alloys
Duc Nguyen-Manh - Empirical Potentials: What are they good for?
Stephen Foiles - Interatomic potentials for metallic systems: recent progress and applications
Yuri Mishin - Beyond bond-order potentials: Recent developments in treating ionicity
Karsten Albe - Magnetism in second moment approximations
Graeme Ackland - Development of an (M)EAM type potential for Fe-C
Marcel Sluiter, A.I. Duff - Atomistic simulation of steels: potential development and radiation effects in FeCrC
Kai Nordlund, K. O. E. Henriksson, C. Björkas, N. Juslin, and K. Vörtler - From ab-initio calcuations to tight-binding: the QUAMBO (quasiatomic minimal basis orbitals) approach
Kai-Ming Ho - Tight-Binding Parameters From DFT Calculations
Bernd Meyer - Analytic bond-order potentials for transition metals
Ralf Drautz
|
|
