Influence of strain on transport in dense Lennard-Jones systems
Date
2004-04-15
Authors
Petravic, Janka
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American Institute of Physics
Abstract
We study the shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity, and thermal conductivity along a high-density Lennard-Jones isochore of the reduced density of 1.0, as it crosses the freezing and melting lines, in equilibrium and under constant strain.
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Keywords: Algorithms; Approximation theory; Argon; Boundary conditions; Computer simulation; Diffusion; Estimation; Freezing; Interpolation; Melting; Potential energy; Strain; Stress relaxation; Thermal conductivity; Viscosity; Crystal stability; Green-Kubo relatio
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The Journal of Chemical Physics
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Journal article
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