English

Molecular Dynamics Simulation on a Metallic Glass Ni$_{0.2}$Zr$_{0.8}$-System: Non-Ergodicity Parameter

Materials Science 2007-05-23 v1 Statistical Mechanics

Abstract

At the present paper we have computed non-ergodicity paramater from Molecular Dynamics (MD) Simulation data after the mode-coupling theory (MCT) for a glass transition. MCT of dense liquids marks the dynamic glass-transition through a critical temperature TcT_c that is reflected in the temperature-dependence of various physical quantities. Here, molecular dynamics simulations data of a model adapted to Ni0.2_{0.2}Zr0.8_{0.8} are analyzed to deduce TcT_c from the temperature-dependence of corresponding quantities and to check the consistency of the statements. Analyzed is the diffusion coefficients. The resulting values agree well with the critical temperature of the non-vanisihing non-ergodicity parameter determined from the structure factors in the asymptotic solution of the mode-coupling theory with memory-kernels in ``One-Loop'' approximation.

Keywords

Cite

@article{arxiv.cond-mat/0505760,
  title  = {Molecular Dynamics Simulation on a Metallic Glass Ni$_{0.2}$Zr$_{0.8}$-System: Non-Ergodicity Parameter},
  author = {A. B. Mutiara},
  journal= {arXiv preprint arXiv:cond-mat/0505760},
  year   = {2007}
}

Comments

7 pages, 5 figures, revtex4