Density functional study of self-diffusion along an isolated screw dislocation in fcc Ni

Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution

(2017) Magnus Garbrecht et al.   Scientific Reports

High-throughput ab-initio dilute solute diffusion database

(2016) Henry Wu et al.   Scientific Data

First-principles study of interfacial boundaries in Ni–Ni3Al

(2014) C. Woodward et al.   ACTA MATERIALIA

A first-principles study of self-diffusion coefficients of fcc Ni

(2014) Chelsey Z. Hargather et al.   COMPUTATIONAL MATERIALS SCIENCE

The core structure of dislocations and their relationship to the material γ-surface

(2014) A. Hunter et al.   JOURNAL OF APPLIED PHYSICS

Contribution of the entropy on the thermodynamic equilibrium of vacancies in nickel

(2014) Arnaud Metsue et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of Diffusion in FCC NiFe Binary Alloys Using Kinetic Monte Carlo Method

(2014) Dominic R. Alfonso et al.   Journal of Physical Chemistry C

Ultrafine-grain metals by severe plastic deformation

(2014) Laszlo S. Toth et al.   MATERIALS CHARACTERIZATION

Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni

(2013) Thomas Garnier et al.   PHYSICAL REVIEW B

Automated identification and indexing of dislocations in crystal interfaces

(2012) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Size dependency of self-diffusion and creep behavior of nanostructured metals

(2010) B. Arab et al.   MATERIALS LETTERS

Extracting dislocations and non-dislocation crystal defects from atomistic simulation data

(2010) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Calculation of fast pipe diffusion along a dislocation stacking fault ribbon

(2010) Xu Zhang et al.   PHYSICAL REVIEW B

A molecular dynamics study of self-diffusion in the cores of screw and edge dislocations in aluminum

(2009) G.P. Purja Pun et al.   ACTA MATERIALIA

First principles impurity diffusion coefficients

(2009) M. Mantina et al.   ACTA MATERIALIA

First Principles Calculations of Vacancy Formation Energies in Σ13 Pyramidal Twin Grain Boundary of α-Al2O3

(2009) Nobuaki Takahashi et al.   MATERIALS TRANSACTIONS

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

The Kinetic Monte Carlo method: Foundation, implementation, and application

(2008) Corbett C. Battaile   COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Prediction of Dislocation Cores in Aluminum from Density Functional Theory

(2008) C. Woodward et al.   PHYSICAL REVIEW LETTERS

Observation of Giant Diffusivity Along Dislocation Cores

(2008) M. Legros et al.   SCIENCE