Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Chen, Renai"'
Autor:
Chen, Renai, Craven, Galen T.
Rectification, the preferential transport of a current in one direction through a system, has garnered significant attention in molecules because of its importance for controlling thermal and electronic currents at the nanoscale. Here, we report the
Externí odkaz:
http://arxiv.org/abs/2405.09774
The time-periodic modulation of a temperature gradient can alter the heat transport properties of a physical system. Oscillating thermal gradients give rise to behaviors such as modified thermal conductivity and controllable time-delayed energy stora
Externí odkaz:
http://arxiv.org/abs/2404.12579
Autor:
Craven, Galen T., Chen, Renai, Cooper, Michael W. D., Matthews, Christopher, Rizk, Jason, Malone, Walter, Johnson, Landon, Gibson, Tammie, Andersson, David A.
Publikováno v:
Comput. Mater. Sci. 230, 112442 (2023)
The growth rate of structural defects in nuclear fuels under irradiation is intrinsically related to the diffusion rates of the defects in the fuel lattice. The generation and growth of atomistic structural defects can significantly alter the perform
Externí odkaz:
http://arxiv.org/abs/2310.08593
Publikováno v:
Phys. Rev. E 108, 024148 (2023)
Energy transport is a fundamental physical process that plays a prominent role in the function and performance of myriad systems and technologies. Recent experimental measurements have shown that subjecting a macroscale system to a time-periodic temp
Externí odkaz:
http://arxiv.org/abs/2309.01041
Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum Landauer-type
Externí odkaz:
http://arxiv.org/abs/2308.12282
Autor:
Johnson, Landon, Malone, Walter, Rizk, Jason, Chen, Renai, Gibson, Tammie, Cooper, Michael W.D., Craven, Galen T.
Publikováno v:
In Computational Materials Science June 2024 242
Publikováno v:
J. Chem. Phys. 153, 144113 (2020)
Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a Stochastic Nonequlibrium Molecular Dynamics simulation framework to inv
Externí odkaz:
http://arxiv.org/abs/1908.08617
Publikováno v:
J. Chem. Phys. 149, 104103 (2018)
The energy partitioning during activation and relaxation events under steady-state conditions for a Brownian particle driven by multiple thermal reservoirs of different local temperatures is investigated. Specifically, we apply the formalism derived
Externí odkaz:
http://arxiv.org/abs/1908.00502
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Publikováno v:
Journal of Chemical Physics; 10/14/2020, Vol. 153 Issue 14, p1-14, 14p