Structure and Atomic Dynamics of Silver Halide Mixtures(The 50th Anniversary of the Alder Transition -Recent Progress on Computational Statistical Physics-)
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Molecular dynamics simulations (MD) are performed in the noble-metal halide mixtures AgI-AgBr and AgI-AgCl systems in their solid, superionic and molten phases. Frequency dependent diffusion coefficients, D_i(ω), are obtained from velocity correlation functions by MD to investigate the frequency distributions of phonons of these systems. The obtained D_i(ω)'s show the pronounced peaks in infrared frequency region.
- 2009-04-24
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関連論文
- Ionic conductivities of non-equivalent molten salts by molecular dynamics simulations
- Structure and Atomic Dynamics of Silver Halide Mixtures(The 50th Anniversary of the Alder Transition -Recent Progress on Computational Statistical Physics-)