100 citations · 496 across the 13 of their papers we have counts for
6 papers · 1 filter
Chemical pressure and vacancies in crystals under nonhydrostatic stress
Michiel Sprik
Inhomogeneous stress is a driving force for diffusion of vacancies in crystals. The other way around a non-uniform distribution of vacancies induces stress. The accepted theory of…
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
Michiel Sprik
Compressible lattice gas models are used in material science to understand the coupling between composition and strain in alloys. The seminal work in this field is the 1973 Larché-…
On the chemical potential and grand potential density of solids under non-hydrostatic stress
Michiel Sprik
Non-hydrostatic stress has a peculiar effect on the phase equilibrium between solids and liquids. This was already pointed out by Gibbs. Gibbs derived his formulation of the condit…
Computational Amperometry of Nanoscale Capacitors in Molecular Simulations
Thomas Dufils, Michiel Sprik, Mathieu Salanne
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale c…
Simulating electrochemical systems by combining the finite field method with a constant potential electrode
Thomas Dufils, Guillaume Jeanmairet, Benjamin Rotenberg +2
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composi…
Water adsorption on the P-rich GaP(100) surface: Optical spectroscopy from first principles
Matthias M. May, Michiel Sprik
The contact of water with semiconductors typically changes its surface electronic structure by oxidation or corrosion processes. A detailed knowledge - or even control of - the sur…