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Characterization of Thermal Transport in One-dimensional Solid Materials
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Nonequilibrium temperature and thermometry in heat-conducting phi4 models.

Wm G Hoover1, Carol G Hoover

  • 1Ruby Valley Research Institute, Highway Contract 60, Box 598 Ruby Valley, Nevada 89833, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|June 4, 2008
PubMed
Summary

This study explores temperature and thermometry in heat-conducting models. Kinetic temperature, simulated using Nosé-Hoover thermostats, offers the simplest approach to analyzing nonequilibrium heat flows.

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Area of Science:

  • Thermodynamics
  • Statistical Mechanics
  • Computational Physics

Background:

  • Understanding temperature and thermometry in systems away from equilibrium is crucial for various scientific fields.
  • Traditional thermodynamic concepts may not fully capture the behavior of nonequilibrium systems.
  • Simulating heat flow requires accurate methods for defining and measuring temperature.

Purpose of the Study:

  • To analyze temperature and thermometry in simple nonequilibrium heat-conducting models.
  • To compare different definitions of temperature, including kinetic and configurational temperatures.
  • To evaluate the effectiveness of Nosé-Hoover thermostats for simulating nonequilibrium heat flow.

Main Methods:

  • Analysis of two- and three-dimensional phi4 models.
  • Investigation of ideal-gas thermometer correspondence to local instantaneous mechanical kinetic temperature.
  • Application of Nosé-Hoover thermostats for simulating and analyzing nonequilibrium heat flows.

Main Results:

  • The ideal-gas thermometer accurately represents local instantaneous mechanical kinetic temperature in these models.
  • Mechanical temperature closely approximates local thermodynamic equilibrium temperature for phi4 models.
  • Significant discrepancies exist between kinetic temperature and nonlocal configurational temperature.
  • Neither temperature definition fully aligns with extended irreversible thermodynamics predictions.

Conclusions:

  • Kinetic temperature, implemented via Nosé-Hoover thermostats, provides the most straightforward method for simulating and understanding nonequilibrium heat flows.
  • The study highlights the importance of carefully selecting temperature definitions in nonequilibrium simulations.
  • Further research may explore more advanced thermometry techniques for complex systems.