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Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling
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- Tamm, A. (författare)
- Lawrence Livermore Natl Lab, Quantum Simulat Grp, Livermore, CA 94550 USA
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- Caro, M. (författare)
- Virginia Polytech Inst & State Univ, Dept Mech Engn, Arlington, VA 22033 USA
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- Caro, A. (författare)
- George Washington Univ, Ashburn, VA 20147 USA
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- Samolyuk, G. (författare)
- Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2009, Oak Ridge, TN 37831 USA
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- Klintenberg, Mattias (författare)
- Uppsala universitet,Materialteori
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- Correa, A. A. (författare)
- Lawrence Livermore Natl Lab, Quantum Simulat Grp, Livermore, CA 94550 USA
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(creator_code:org_t)
- American Physical Society, 2018
- 2018
- Engelska.
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 120:18
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
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- Stochastic Langevin dynamics has been traditionally used as a tool to describe nonequilibrium processes. When utilized in systems with collective modes, traditional Langevin dynamics relaxes all modes indiscriminately, regardless of their wavelength. We propose a generalization of Langevin dynamics that can capture a differential coupling between collective modes and the bath, by introducing spatial correlations in the random forces. This allows modeling the electronic subsystem in a metal as a generalized Langevin bath endowed with a concept of locality, greatly improving the capabilities of the two-temperature model. The specific form proposed here for the spatial correlations produces a physical wave-vector and polarization dependency of the relaxation produced by the electron-phonon coupling in a solid. We show that the resulting model can be used for describing the path to equilibration of ions and electrons and also as a thermostat to sample the equilibrium canonical ensemble. By extension, the family of models presented here can be applied in general to any dense system, solids, alloys, and dense plasmas. As an example, we apply the model to study the nonequilibrium dynamics of an electron-ion two-temperature Ni crystal.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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