246 citations · 263 across the 5 of their papers we have counts for
5 papers
Coexistence of multiple interfacial states at heterogeneous solid/liquid interface
Jiaojiao Liu, Hongtao Liang, Jinfu Li +2
The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has be…
Atomistic characterization of the SiO2 high-density liquid/low-density liquid interface
Xin Zhang, Brian B. Laird, Hongtao Liang +5
The equilibrium silica liquid-liquid interface between the high-density liquid (HDL) phase and the low-density liquid (LDL) phase is examined using molecular-dynamics simulation. T…
Local collective dynamics at equilibrium BCC crystal-melt interfaces
Xin Zhang, Wenliang Lu, Zun Liang +5
We present a classical molecular-dynamics study of the collective dynamical properties of the coexisting liquid phase at equilibrium body-centered cubic (BCC) Fe crystal-melt inter…
Parameterizing the surface free energy and excess adsorption of a hard-sphere fluid at a planar hard wall
Ruslan L. Davidchack, Brian B. Laird, Roland Roth
he inhomogeneous structure of a fluid at a wall can be characterized in several ways. Within a thermodynamic description the surface free energy and the excess adsorption a…
Evaluation of Constant Potential Method in Simulating Electric Double-Layer Capacitors
Zhenxing Wang, Yang Yang, David L. Olmsted +2
A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations th…