77 citations · 223 across the 11 of their papers we have counts for
6 papers · 2 filters
Multiscale modeling of femtosecond laser irradiation on copper film with electron thermal conductivity from ab initio calculation
Pengfei Ji, Yuwen Zhang
By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and impleme…
Molecular Dynamics Simulation of Condensation on Nanostructured Surface in a Confined Space
Li Li, Pengfei Ji, Yuwen Zhang
Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications…
Ab initio determination of effective electron-phonon coupling factor in copper
Pengfei Ji, Yuwen Zhang
The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effect…
Femtosecond Laser Processing of Germanium: An Ab Initio Molecular Dynamics Study
Pengfei Ji, Yuwen Zhang
An ab initio molecular dynamics study of femtosecond laser processing of germanium is presented in this paper. The method based on the finite temperature density functional theory…
Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study
Pengfei Ji, Yuwen Zhang, Mo Yang
The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Ca…
First-Principles Molecular Dynamics Investigation of the Atomic-Scale Energy Transport: From Heat Conduction to Thermal Radiation
Pengfei Ji, Yuwen Zhang
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy trans…