Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

Techniques to accelerate convergence of stress-controlled molecular dynamics simulations of dislocation motion

(2012) David Cereceda et al.   COMPUTATIONAL MATERIALS SCIENCE

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

(2012) G D Samolyuk et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Constrained nudged elastic band calculation of the Peierls barrier with atomic relaxations

(2012) R Gröger et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Ab initiobased empirical potential used to study the mechanical properties of molybdenum

(2012) Hyoungki Park et al.   PHYSICAL REVIEW B

Dislocation-core symmetry and slip planes in tungsten alloys: Ab initio calculations and microcantilever bending experiments

(2011) Hong Li et al.   ACTA MATERIALIA

Prospects for accelerated development of high performance structural materials

(2011) Steven J. Zinkle et al.   JOURNAL OF NUCLEAR MATERIALS

Stress and temperature dependence of screw dislocation mobility inα-Fe by molecular dynamics

(2011) M. R. Gilbert et al.   PHYSICAL REVIEW B

High temperature fracture experiments on tungsten–rhenium alloys

(2010) Stefan Wurster et al.   INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS

Comparison of empirical interatomic potentials for iron applied to radiation damage studies

(2010) L. Malerba et al.   JOURNAL OF NUCLEAR MATERIALS

Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation

(2010) P A Gordon et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Ab initiomulti-string Frenkel–Kontorova model for a b =a/2[111] screw dislocation in bcc iron

(2010) Mark R. Gilbert et al.   PHILOSOPHICAL MAGAZINE

Effect of Rhenium on the Dislocation Core Structure in Tungsten

(2010) Lorenz Romaner et al.   PHYSICAL REVIEW LETTERS

Dislocation dynamic modelling of the brittle–ductile transition in tungsten

(2009) E. Tarleton et al.   PHILOSOPHICAL MAGAZINE

Stress-dependent Peierls potential: Influence on kink-pair activation

(2009) David Rodney et al.   PHYSICAL REVIEW B

Multiscale modeling of plastic deformation of molybdenum and tungsten: II. Yield criterion for single crystals based on atomistic studies of glide of 1/2〈111〉 screw dislocations

(2008) R. Gröger et al.   ACTA MATERIALIA