The memory kernel of velocity autocorrelation function on a NiZr-tiquid: theory and simulation

Mutiara, Achmad Benny The memory kernel of velocity autocorrelation function on a NiZr-tiquid: theory and simulation. Proceedings, Komputer dan Sistem Intelejen (KOMMIT 2002). ISSN 1411-6286

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Abstract

Based on sjtigren und sjolander's Mode-coupling(MC)-Model, we have re- formulated and calculated the memory kernel (MK) of the velocity autocorre- lation function (vACF)on a Ni6.2Zrs.3-liquid. Reformulating means here that we have constructed the memory kernel of vACF for our binary system, in- stead of one for one atomic system of the Sjtigren und Sjolander's model. The data required for the theoretical calculations have been obtained from molec- ular dynamics (MD) simulations. The theoretical results then are compared with those directly obtained from computer simulation. we found, although it exists a qualitative agreement between theoretical predictions and simula- tion results, that quantitatively there is an deviations between both results, especially for Zr-subsystem.

Item Type: Article
Uncontrolled Keywords: memory kernel
Subjects: A General Works > AI Indexes (General)
Divisions: Fakultas Teknologi Industri > Program Studi Teknik Informatika
Depositing User: Mr Reza Chandra
Date Deposited: 28 Feb 2014 08:42
Last Modified: 28 Feb 2014 08:42
URI: http://repository.gunadarma.ac.id/id/eprint/1072

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