## Abstract

Molecular dynamics (MD) simulation for amorphous and liquid Zr_{x}Ni_{100-x} (x = 0, 17, 33, 50, 67, 83, 100) alloys are performed as model experiment. Composition dependence of physical properties of the alloys are analyzed. Static structure is analyzed by pair distribution function and structure factor. Microscopic local energy fluctuation is analyzed by site potential energy. The calculations of the power spectrum of velocity autocorrelation function and self diffusion coefficient are performed as analysis for the single particle motion. The phonon dispersion relation, the mutually coupled motion, is estimated from the spectrum of particle current The structure, dynamics and energy are relevant to each other and they change at x = 33.

Original language | English |
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Pages (from-to) | 57-63 |

Number of pages | 7 |

Journal | Science Reports of the Rerearch Institutes Tohoku University Series A-Physics |

Volume | 42 |

Issue number | 1 |

Publication status | Published - 1996 Mar |

## Keywords

- Amorphous
- Diffusion
- Liquid
- Molecular dynamics (MD)
- Pair distribution function
- Phonon dispersion
- Power spectrum
- Site energy

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