Publication

Analysis of spurious image forces in atomistic simulations of dislocations

Related publications (33)

Lattice Green's function method for Atomistic/Continuum coupling

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

EPFL2023

Strengthening mechanisms in dilute and random solid solution high-entropy BCC alloys

Alireza Ghafarollahi

Tuning the mechanical properties of metals, including strength, through adjusting the type and/or concentration of added solute elements, has been recognized as an effective way to design and produce materials with desired or optimized mechanical propertie ...

EPFL2022

Large scale 3-dimensional atomistic simulations of screw dislocations interacting with coherent twin boundaries in Al, Cu and Ni under uniaxial and multiaxial loading conditions

Helena Van Swygenhoven, Satish I Rao

Large scale 3D atomistic simulations are performed to study the interaction between a curved dislocation with a dominant screw character and a Coherent Twin Boundary (CTB). Three FCC metals (Al, Cu and Ni) are addressed using 6 embedded-atom method (EAM) p ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Dislocation Cross-Slip in Face-Centered Cubic Solid Solution Alloys

Wolfram Georg Nöhring

The mechanical strength of metals depends on their resistance against various microscopic deformation processes. In ductile metals, the most important process is shearing of the crystal lattice by dislocations. One of the fundamental aspects of dislocation ...

EPFL2018

Dislocation multiplication in stage II deformation of fcc multi-slip single crystals

Dislocation multiplication in plasticity research is often connected to the picture of a Frank-Read source. Although it is known that this picture is not applicable after easy glide deformation, plasticity theories often assume Frank-Read-type models for d ...

2018

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

William Curtin, Nicola Marzari, Francesco Maresca, Daniele Dragoni

The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations, which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pai ...

2018

Coupled Atomistics and Discrete Dislocations in 3d (CADD-3d)

Jean-François Molinari, William Curtin, Guillaume Anciaux, Till Junge, Jaehyun Cho, Max Ludwig Hodapp

Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-leveldiscrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion areinherently atomistic, such as t ...

2018

Atomistic mechanisms of hydrogen embrittlement

Ali Tehranchi

The detrimental effects of the H on the mechanical properties of the metals are known for more than a century. One of the most important degradation mechanisms is H embrittlement (HE). In this thesis, we examined a few famous proposed mechanisms in the fie ...

EPFL2017

Atomistic simulations of dislocation behavior in a model FCC multicomponent concentrated solid solution alloy

Satish I Rao

In this work, molecular statics and molecular dynamics simulations of a/2 < 110 > dislocation behavior for a model FCC Co30Fe16.67Ni36.67Ti16.67 alloy are discussed. It is shown that the single FCC phase is elastically stable in this alloy. Local stacking ...

Elsevier2017

Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

William Curtin, Céline Varvenne, Satish I Rao

Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2(111) dislocations in a randomly-distributed model-BCC Co16.67Fe36.67Ni16.67Ti30 alloy. Core structure variations along an individual dislocation li ...

Elsevier2017

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