Influence of strain on transport in dense Lennard-Jones systems

Janka Petravic

doi:10.1063/1.1683073

Influence of strain on transport in dense Lennard-Jones systems

Janka Petravic^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

5 Citations (SciVal)

Abstract

The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.

Original language	English
Pages (from-to)	7041-7049
Number of pages	9
Journal	Journal of Chemical Physics
Volume	120
Issue number	15
DOIs	https://doi.org/10.1063/1.1683073
Publication status	Published - 15 Apr 2004

Access to Document

10.1063/1.1683073

Cite this

@article{61a37bf4b465496e8679927e153ba7f3,

title = "Influence of strain on transport in dense Lennard-Jones systems",

abstract = "The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.",

author = "Janka Petravic",

year = "2004",

month = apr,

day = "15",

doi = "10.1063/1.1683073",

language = "English",

volume = "120",

pages = "7041--7049",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "15",

}

TY - JOUR

T1 - Influence of strain on transport in dense Lennard-Jones systems

AU - Petravic, Janka

PY - 2004/4/15

Y1 - 2004/4/15

N2 - The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.

AB - The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.

UR - http://www.scopus.com/inward/record.url?scp=2342558691&partnerID=8YFLogxK

U2 - 10.1063/1.1683073

DO - 10.1063/1.1683073

M3 - Article

SN - 0021-9606

VL - 120

SP - 7041

EP - 7049

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 15

ER -

Influence of strain on transport in dense Lennard-Jones systems

Abstract

Access to Document

Other files and links

Fingerprint

Cite this