Shape of Small Prismatic Dislocation Loops in Tungsten and Iron

Jan Fikar; Roman Gröger

doi:10.4028/www.scientific.net/SSP.258.97

Paper Titles

First-Principles Simulation on Thermoelectric Properties in Low-Dimensional Materials
p.77

Comparison of Classical Molecular Dynamics and Ab Initio Modeling of Discrete Breathers in Graphene
p.81

Mesoscopic Description of Dislocation Patterning Using the Concept of Incompatibility of Strains
p.87

How to Measure a Dislocation’s Breakthrough Stress to Estimate the Grain Boundary Resistance against Slip Transfer Based on the DFZ-Model of Fracture
p.93

Shape of Small Prismatic Dislocation Loops in Tungsten and Iron
p.97

Interaction of Dislocations at Interfaces in Multilayered Materials
p.102

A Numerical Analysis of Deformation Processes in Oxide Dispersion-Strengthened Materials - Influence of Dislocation-Particle Interactions
p.106

Influence of Impurities on Grain Boundaries Cohesion in B2-TiMe
p.110

Interpretation of Plasticity Effects Using the CJP Crack Tip Field Model
p.117

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Shape of Small Prismatic Dislocation Loops in Tungsten and Iron

Abstract:

Small prismatic dislocation loops in BCC metals have Burgers vectors either ½<111> or <100> and are usually close to circular shape. In atomistic simulations constructing prismatic dislocation loops of different shapes is straightforward, however, it is difficult to compare their formation energies, since loops of different shapes or different Burgers vectors do not necessarily have exactly the same size. Here we develop a general method to correctly compare loops of similar size but different shapes and the Burgers vectors. This method is combined with molecular statics simulations to identify the most energetically favorable shapes of prismatic dislocation loops in elastically isotropic tungsten and anisotropic α-iron.