scholarly journals Metal/dielectric thermal interfacial transport considering cross-interface electron-phonon coupling: Theory, two-temperature molecular dynamics, and thermal circuit

2016 ◽  
Vol 93 (6) ◽  
Author(s):  
Zexi Lu ◽  
Yan Wang ◽  
Xiulin Ruan
Keyword(s):  
Molecular Dynamics ◽  
Coupling Theory ◽  
Phonon Coupling ◽  
Interfacial Transport ◽  
Thermal Circuit ◽  
Electron Phonon Coupling ◽  
Two Temperature

Understanding the sensitivity of the two-temperature model for electron–phonon coupling measurements

2020 ◽  
Vol 128 (8) ◽  
pp. 085102
Author(s):  
Sarah B. Naldo ◽  
Andrius V. Bernotas ◽  
Brian F. Donovan
Keyword(s):  
Temperature Model ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Two Temperature

Including the Effects of Electronic Excitations and Electron-Phonon Coupling in Cascade Simulations

2006 ◽  
Vol 981 ◽  
Author(s):  
Dorothy Duffy ◽  
Alexis Rutherford
Keyword(s):  
Molecular Dynamics ◽  
Electronic System ◽  
High Energy ◽  
Heat Diffusion ◽  
Dynamics Simulation ◽  
Electronic Excitations ◽  
Phonon Coupling ◽  
Electronic Temperature ◽  
Heat Diffusion Equation ◽  
Electron Phonon Coupling

AbstractRadiation damage has traditionally been modeled using cascade simulations however such simulations generally neglect the effects of electron-ion interactions, which may be significant in high energy cascades. A model has been developed which includes the effects of electronic stopping and electron-phonon coupling in Molecular Dynamics simulations by means of an inhomogeneous Langevin thermostat. The energy lost by the atoms to electronic excitations is gained by the electronic system and the energy evolution of the electronic system is modeled by the heat diffusion equation. Energy is exchanged between the electronic system and the atoms in the Molecular Dynamics simulation by means of a Langevin thermostat, the temperature of which is the local electronic temperature. The model is applied to a 10 keV cascade simulation for Fe.

scholarly journals Correlating structural dynamics and catalytic activity of AgAu nanoparticles with ultrafast spectroscopy and all-atom molecular dynamics simulations

2018 ◽  
Vol 208 ◽  
pp. 269-286 ◽  
Author(s):  
G. F. Ferbonink ◽  
T. S. Rodrigues ◽  
D. P. dos Santos ◽  
P. H. C. Camargo ◽  
R. Q. Albuquerque ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Structural Dynamics ◽  
Ultrafast Spectroscopy ◽  
Surface Segregation ◽  
Core Shell ◽  
Hollow Core ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Equilibrium Structures ◽  
Dynamics Simulations

Electron–phonon coupling times, equilibrium structures and surface segregation as a function of hollow core–shell AgAu nanoparticle composition.

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