59 citations · 110 across the 6 of their papers we have counts for
4 papers · 1 filter
\textit{Ab initio} lattice thermal conductivity of MgSiO across perovskite-postperovskite phase transition
Zhen Zhang, Renata M. Wentzcovitch
Lattice thermal conductivity () of MgSiO postperovskite (MgPPv) under the Earth's lower mantle high pressure-temperature conditions is studied using the phonon quasipa…
First principles study of the surface of silica and sodium silicate glasses
Zhen Zhang, Walter Kob, Simona Ispas
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined…
anharmonic thermodynamic properties of cubic CaSiO perovskite
Zhen Zhang, Renata M. Wentzcovitch
We present an study of the thermodynamic properties of cubic CaSiO perovskite (CaPv) over the pressure and temperature range of the Earth's lower mantle. W…
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principles based on our phonon quasiparticle approach. In this code, phonon quasiparticle…