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Updated: Jun 26, 2025
05:20
Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
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Molecular heat transport across a time-periodic temperature gradient
Renai Chen1, Tammie Gibson2, Galen T Craven2
1Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
The Journal of Chemical Physics
|May 20, 2024
Summary
Oscillating temperature gradients in molecular lattices enable controllable heat transport and energy storage. This study reveals how varying oscillation parameters influences these emergent thermal properties.
Area of Science:
- Condensed Matter Physics
- Thermodynamics
- Computational Materials Science
Background:
- Time-periodic modulation of temperature gradients significantly alters heat transport.
- Static temperature gradients do not exhibit phenomena like modified thermal conductivity or time-delayed energy storage.
Purpose of the Study:
- To investigate the impact of oscillating temperature gradients on heat transport properties in a molecular lattice model.
- To explore emergent energy storage, release, and thermal conductance mechanisms induced by temperature oscillations.
Main Methods:
- Analytical analysis and molecular dynamics simulations were employed.
- A stochastic energetics framework and a modified nonequilibrium Green's function approach were used to derive heat current expressions.
- The study focused on a molecular lattice system with two heat baths experiencing an oscillating temperature difference.
Main Results:
- Temperature oscillations induce emergent energy storage, energy release, and thermal conductance mechanisms.
- These mechanisms can be precisely controlled by adjusting the frequency, waveform, and amplitude of the oscillating gradient.
- The study successfully derived expressions for heat currents under nonstationary average energy fluxes.
Conclusions:
- Oscillating temperature gradients offer a novel method for controlling heat transport in molecular lattices.
- The developed theoretical framework provides a general approach to understanding vibrational heat transmission under time-dependent thermal gradients.
- This research opens avenues for designing materials with tunable thermal properties for advanced applications.
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