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Updated: Aug 16, 2026

Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
Linear response theory for thermal conductivity and viscosity in terms of boundary fluctuations
Janka Petravic1, Peter Harrowell
1School of Chemistry, The University of Sydney NSW 2006, Australia.
Abstract:
Boundary driven shear flows and wall thermostats are being used in computer simulations of materials with increasing frequency. One attraction is that such boundary constraints offer a more realistic representation of the physical constraints imposed experimentally than the widely employed homogeneous constraints. In this paper we derive the linear response expressions for shear viscosity and thermal conductivity based on the fluctuations associated with boundary constraints. We demonstrate that our approach provides an effective method of describing the rheology in interfaces as well as bulk samples.
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