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The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic…

Materials Science · Physics 2008-09-10 Emmanuel Clouet , Sébastien Garruchet , Hoang Nguyen , Michel Perez , Charlotte Becquart

Screw dislocations in bcc metals display non-planar cores at zero temperature which result in high lattice friction and thermally activated strain rate behavior. In bcc W, electronic structure molecular statics calculations reveal a…

The dislocation core field, which comes in addition to the Volterra elastic field, is studied for the <111> screw dislocation in alpha-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial…

Materials Science · Physics 2011-12-22 Emmanuel Clouet , Lisa Ventelon , F. Willaime

Atomically-thin materials based on transition metal dichalcogenides and graphene offer a promising avenue for unlocking the mechanisms underlying the spin Hall effect (SHE) in heterointerfaces. Here, we develop a microscopic theory of the…

Mesoscale and Nanoscale Physics · Physics 2024-09-20 David T. S. Perkins , Alessandro Veneri , Aires Ferreira

Understanding crack tip - dislocation interaction is critical for improving the fracture resistance of semi-brittle materials like room-temperature plastically deformable ceramics. Here, we use a modified double cleavage drilled compression…

Materials Science · Physics 2025-10-17 Oliver Preuß , Zhangtao Li , Enrico Bruder , Philippe Carrez , Yinan Cui , Jürgen Rödel , Xufei Fang

A (microscopic) static elastoplastic field theory of dislocations with moment and force stresses is considered. The relationship between the moment stress and the Nye tensor is used for the dislocation Lagrangian. We discuss the stress…

Materials Science · Physics 2016-10-26 Markus Lazar

We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials…

Materials Science · Physics 2007-05-23 J. Schiotz , A. E. Carlsson

We present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial…

Materials Science · Physics 2020-10-28 Sh. Akhondzadeh , Ryan B. Sills , Nicolas Bertin , Wei Cai

The melting of elemental solids is modelled as a dislocation-mediated transition on a lattice. Statistical mechanics of linear defects is used to obtain a new relation between melting temperature, crystal structure, atomic volume, and shear…

Condensed Matter · Physics 2009-10-31 Leonid Burakovsky , Dean L. Preston

The present work is essentially concerned with the development of statistical theory for the low temperature dislocation glide in concentrated solid solutions where atom-sized obstacles impede plastic flow. In connection with such a…

Statistical Mechanics · Physics 2015-05-13 Laurent Proville

We model a sheared disordered solid using the theory of Shear Transformation Zones (STZs). In this mean-field continuum model the density of zones is governed by an effective temperature that approaches a steady state value as energy is…

Soft Condensed Matter · Physics 2009-11-13 M. L. Manning , J. S. Langer , J. M. Carlson

This paper deals with the solution of delay differential equations describing evolution of dislocation density in metallic materials. Hardening, restoration, and recrystallization characterizing the evolution of dislocation populations…

Uniqueness of solutions in the linear theory of non-singular dislocations, studied as a special case of plasticity theory, is examined. The status of the classical, singular Volterra dislocation problem as a limit of plasticity problems is…

Classical Physics · Physics 2019-07-24 Amit Acharya , Robin J. Knops , Jeyabal Sivaloganathan

We present a new theoretical and numerical framework for modelling mechanically-assisted corrosion in elastic-plastic solids. Both pitting and stress corrosion cracking (SCC) can be captured, as well as the pit-to-crack transition.…

Applied Physics · Physics 2020-12-30 Chuanjie Cui , Rujin Ma , Emilio Martínez-Pañeda

We have studied the ordering kinetics of a two-dimensional anisotropic Swift-Hohenberg (SH) model numerically. The defect structure for this model is simpler than for the isotropic SH model. One finds only dislocations in the aligned…

Soft Condensed Matter · Physics 2009-11-11 Hai Qian , Gene F. Mazenko

A translational gauge approach of the Einstein type is proposed for obtaining the stresses that are due to non-singular screw dislocation. The stress distribution of second order around the screw dislocation is classically known for the…

Materials Science · Physics 2008-11-26 C. Malyshev

Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…

Materials Science · Physics 2023-10-25 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of yielding transitions and grain-size effects in polycrystalline solids. Calculations are based on the 1995 experimental results of…

Materials Science · Physics 2017-03-29 J. S. Langer

A theory for conduction electron scattering by inhomogeneous crystal lattice strains is developed, based on the differential geometric treatment of deformations in solids. The resulting fully covariant Schr\"odinger equation shows that the…

Materials Science · Physics 2015-02-02 Koushik Viswanathan , Srinivasan Chandrasekar

Recent experiments showed that the shear modulus of solid 4He stiffens in the same temperature range (below 200 mK) where mass decoupling and supersolidity have been inferred from torsional oscillator measurements. The two phenomena are…

Other Condensed Matter · Physics 2013-05-29 James Day , Oleksandr Syshchenko , John Beamish
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