Microscopic Structural and Dynamical Properties of Amorphous Metallic Alloy $Ni_{33}Zr_{67}$ at the Temperature $T=300K$

摘要

We study the structural properties and the collective microscopic dynamics ofatoms in the amorphous metallic alloy $Ni_{33}Zr_{67}$ at the temperature$T=300K$ by molecular dynamics simulations. The calculated equilibriumstructural and dynamical characteristics are compared with the experimentaldata on neutron diffraction and on inelastic X-ray scattering. We present theinterpretation of observed structural relaxation of the microscopic densityfluctuations of particles for amorphous metallic alloy in the framework of therecurrent relation approach. The results of theoretical calculations of theintensity of scattering $I(k,\omega)$ for amorphous $Ni_{33}Zr_{67}$ are in agood agreement with the results of computer simulation as well as with theexperimental data on inelastic X-ray scattering.