English

Dynamical glass transition: critical temperature T_c and memory kernel in MD-simulated Ni_{0.8}Zr_{0.2}

Materials Science 2007-08-09 v1 Statistical Mechanics

Abstract

We use molecular dynamics computer simulations to investigate a critical temperature T_c for a dynamical glass transition as proposed by the mode-coupling theory (MCT) of dense liquids in a glass forming Ni_{0.8}Zr_{0.2}-system. The critical temperature T_c are analyzed from different quantities and checked the consistency of the estimated values, i.e. from (i) the non-vanishing nonergodicity parameters as asymptotic solutions of the MCT equations in the arrested state, (ii) the gm{\bf{g}}_m-parameters describing the approach of the melt towards the arrested state on the ergodic side, (iii) the diffusion coefficients in the melt. The resulting T_c values are found to agree within about 10%.

Keywords

Cite

@article{arxiv.0708.1123,
  title  = {Dynamical glass transition: critical temperature T_c and memory kernel in MD-simulated Ni_{0.8}Zr_{0.2}},
  author = {A. B. Mutiara},
  journal= {arXiv preprint arXiv:0708.1123},
  year   = {2007}
}

Comments

9 pages, 14 figures