Orbital-free density functional theory simulations of dislocations in magnesium

Modelling and Simulation in Materials Science and Engineering

Volumn 20, Issue 1, 2012, Pages

  Shin, Ilgyou ^a   Carter, Emily A ^b  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASAL PLANES; CROSS-SLIP; DISLOCATION STRUCTURES; EMBEDDED-ATOM METHOD; EXPERIMENTAL OBSERVATION; GAIN INSIGHT; KINETIC ENERGY DENSITY; LOCAL MINIMUMS; METAL PLASTICITY; NON-BASAL PLANE; ORBITAL-FREE DENSITY FUNCTIONAL THEORY; PARTIAL DISLOCATIONS; PERIODIC CELL; PLASTIC DEFORMATION MECHANISMS; PRISMATIC PLANES; PSEUDOPOTENTIALS; PYRAMIDAL PLANES; PYRAMIDAL SLIP SYSTEMS; SPURIOUS MINIMA; STACKING FAULT ENERGIES;

DENSITY FUNCTIONAL THEORY; EDGE DISLOCATIONS; EMBEDDED SYSTEMS; EQUILIBRIUM CONSTANTS; FUNCTIONAL POLYMERS; MAGNESIUM; MOLECULAR DYNAMICS; SCREWS;

SCREW DISLOCATIONS;

EID: 84255183037     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/20/1/015006     Document Type: Article

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