Browsing High Performance Computation for Engineered Systems (HPCES) by Subject "Au"

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Modeling generalized stacking fault in Au using tight-binding potential combined with a simulated annealing method

Cai, Jun; Wang, Jian-Sheng (2002-01)

Tight-binding potential combined with a simulated annealing method is used to study the generalized stacking fault structure and energy of gold. The potential is chosen to fit band structures and total energies from a set ...