193 citations · 852 across the 28 of their papers we have counts for
28 papers
Classical interaction potentials for diverse materials from ab initio data: a review of potfit
Peter Brommer, Alexander Kiselev, Daniel Schopf +3
Force matching is an established technique to generate effective potentials for molecular dynamics simulations from first-principles data. This method has been implemented in the o…
Simulation of Laser Ablation in Aluminum: The Effectivity of Double Pulses
Johannes Roth, Armin Krauß, Jan Lotze +1
Lasers are becoming a more and more important tool in cutting and shaping materials. Improving precision and effectivity is an ongoing demand in science and industry. One possibili…
Statistical investigations on nitrogen-vacancy center creation
Denis Antonov, Timo Häußermann, Andrew Aird +10
Experiments show that shallow nitrogen implantations (<10keV) result in a negatively charged nitrogen-vacancy center (NV-) yield of 0.01-0.1%. The most succesful technique for intr…
Confirmation of the random tiling hypothesis for a decagonal quasicrystal
Alexander Kiselev, Michael Engel, Hans-Rainer Trebin
Mechanisms that stabilize quasicrystals are much discussed but not finally resolved. We confirm the random tiling hypothesis and its predictions in a fully atomistic decagonal quas…
Influence of polarizability on metal oxide properties studied by molecular dynamics simulations
Philipp Beck, Peter Brommer, Johannes Roth +1
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystall…
Simulation of crack propagation in alumina with ab-initio based polarizable force field
Stephen Hocker, Philipp Beck, Siegfried Schmauder +2
We present an effective atomic interaction potential for crystalline alpha-Al2O3 generated by the program potfit. The Wolf direct, pairwise summation method with spherical truncati…