198 citations · 592 across the 21 of their papers we have counts for
17 papers · 1 filter
Origin of Enhanced Zone Lines in Field Desorption Maps
Jiayuwen Qi, Christian Oberdorfer, Emmanuelle A. Marquis +1
Artifacts in the collective desorption map of the detector hits impede a truthful reconstruction, including enhanced "zone lines" with high atomic impact intensity. Since APT is de…
Bayesian calibration of interatomic potentials for binary alloys
Arun Hegde, Elan Weiss, Wolfgang Windl +2
Developing reliable interatomic potential models with quantified predictive accuracy is crucial for atomistic simulations. Commonly used potentials, such as those constructed throu…
Rapid Production of Accurate Embedded-Atom Method Potentials for Metal Alloys
Elan J. Weiss, Logan Ward, Christian Oberdorfer +4
A critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the limited availability of suitable interatomic potentials. Here, we introduce the…
Ab-Initio Simulation of Field Evaporation
Jiayuwen Qi, Christian Oberdorfer, Emmanuelle A. Marquis +1
A new simulation approach of field evaporation is presented. The model combines classical electrostatics with molecular dynamics (MD) simulations. Unlike previous atomic-level simu…
Non-Linear Arrhenius Behavior of Self-Diffusion in -Ti and Mo
Yaxian Wang, Zhangqi Chen, Wolfgang Windl +1
While anomalous diffusion coefficients with non-Arrhenius like temperature dependence are observed in a number of metals, a conclusive comprehensive framework of explanation has no…
Bond Synergy Model for Bond Energies in Alloy Oxides
Szu-Chia Chien, Wolfgang Windl
In this work we introduce a metal-oxide bond-energy model for alloy oxides based on pure-phase bond energies and bond synergy factors that describe the effect of alloying on the bo…