59 citations · 110 across the 6 of their papers we have counts for
10 papers
\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…
Roughness and scaling properties of oxide glass surfaces at the nanoscale
Zhen Zhang, Simona Ispas, Walter Kob
Using atomistic computer simulations we determine the roughness and topographical features of melt-formed (MS) and fracture surfaces (FS) of oxide glasses. We find that the topogra…
Revealing the three-dimensional structure of liquids using four-point correlation functions
Zhen Zhang, Walter Kob
Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechani…
Structure and vibrational properties of sodium silicate glass surfaces
Zhen Zhang, Simona Ispas, Walter Kob
Using molecular dynamics simulations we investigate the dependence of the structural and vibrational properties of the surfaces of sodo-silicate glasses on the sodium content as we…