Interactions, local order, and atomic-rearrangement kinetics in amorphous nickel-phosphorous alloys.

摘要: Molecular-dynamics computer simulations have been carried out to study the liquid and amorphous solid states for a system comprising 120 Ni 30 P atoms. This utilized additive central pair potentials model interactions. Emphasis has placed on geometry of resulting potential-energy hypersurface as whole explain temperature dependence short-range order, characterize bistable degrees freedom that dominate low-temperature properties in this, other, solids. A small collection transition associated reaction coordinates such numerically constructed. The corresponding atomic motions tend be localized mainly subset atoms, but are diverse insofar which chemical species involved, barrier height asymmetry, nonlinearity collective coordinate.