Atomistic simulations of hydrogen and carbon segregation in α-iron grain boundaries (original) (raw)
Impact of angular deviation from coincidence site lattice grain boundaries on hydrogen segregation and diffusion in α-iron
Tarek Hatem
MRS Communications
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Atomistic Investigation of the Role of Grain Boundary Structure on Hydrogen Segregation and Embrittlement in α-Fe
Kiran Solanki
Metallurgical and Materials Transactions A, 2013
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Molecular dynamics simulation on edge dislocation in the bulk and nanoparticles of iron
Jorge Ascencio
Computational Materials Science, 2003
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Tomoaki Suzudo
Modelling and Simulation in Materials Science and Engineering, 2013
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Dislocation interaction with C in α-Fe: A comparison between atomic simulations and elasticity theory
Charlotte Becquart
Acta Materialia, 2008
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Hydrogen Effect on the Mobility of Edge Dislocation in α-Iron: A Long-Timescale Molecular Dynamics Simulation
Oyinbo Sunday
ISIJ International
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Garritt Tucker
International Journal of Plasticity, 2011
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Atomistic simulation of interaction of collision cascade with different types of grain boundaries in α-Fe
A. Kedharnath
Journal of Nuclear Materials, 2019
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Strain field of interstitial hydrogen atom in body-centered cubic iron and its effect on hydrogen–dislocation interaction
Naoyuki Hashimoto
Scripta Materialia, 2013
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Interaction between lattice dislocations and grain boundaries in F.C.C. materials
Vaclav Vitek
1989
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Effect of grain boundary chemistry on the intergranular fracture of iron at cathodic potentials
D. R Baer
Metallurgical Transactions A, 1981
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Interaction between lattice dislocations and grain boundaries in fcc and ordered compounds: a computer simulation
Vaclav Vitek
Philosophical …, 1991
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Atomistic simulations of deformation and fracture of
Siegfried Schmauder
Modelling and Simulation in Materials Science and Engineering, 1998
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Effect of hydrogen on the electronic structure of a grain boundary in iron
Genrich Krasko
1991
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Atomistic simulations of dislocations and defects
Vaclav Vitek
Journal of computer-aided …, 2002
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Grain boundary migration of substitutional and interstitial atoms in α-iron
Valentin Gavriljuk
Acta Materialia, 2014
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Effect of the stress field of an edge dislocation on carbon diffusion in α-iron: Coupling molecular statics and atomistic kinetic Monte Carlo
Charlotte Becquart
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Coarse-grained atomistic simulation of dislocations
Youping Chen
Journal of the Mechanics and Physics of Solids, 2011
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Numerical simulations of hydrogen–dislocation interactions in fcc stainless steels
David Delafosse
Acta Materialia, 2002
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Studying the effect of grain boundaries in dislocation density based crystal-plasticity finite element simulations
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Molecular dynamics simulation of displacement cascades in α-Fe: A critical review
Roumiana Chakarova
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Sivasakthya Mohan
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Energetic driving force for preferential binding of self-interstitial atoms to Fe grain boundaries over vacancies
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Janne Wallenius
Journal of Nuclear Materials, 2004
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Valerie Coffman
Physical Review B, 2008
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On the consideration of interactions between dislocations and grain boundaries in crystal plasticity finite element modeling – Theory, experiments, and simulations
Dierk Raabe
Acta Materialia, 2006
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Nina Gunkelmann
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Chemomechanical Origin of Hydrogen Trapping at Grain Boundaries in fcc Metals
David McDowell
Physical review letters, 2016
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