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Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…

Materials Science · Physics 2009-11-13 Emmanuel Clouet , Lisa Ventelon , François Willaime

The mechanisms of dislocation/precipitate interaction were studied by means of discrete dislocation dynamics within a multiscale approach. Simulations were carried out using the discrete continuous method in combination with a fast Fourier…

Precipitation strengthening is one of the most effective methods to design alloys with the desired combination of strength and ductility. The main mechanism of strengthening is generally known to be the interaction between dislocations and…

Materials Science · Physics 2018-09-05 Amirreza Keyhani

The classical motion of gliding dislocation lines in slip planes of crystalline solid helium leads to plastic deformation even at temperatures far below the Debye temperature and can affect elastic properties. In this work we argue that the…

Additive manufacturing (AM) of metallic components promises many advantages over conventional manufacturing processes through high design flexibility across multiple length scales and precision coupled with an astonishing combination of…

To understand how dislocations form ordered structures during the deformation of metals, we perform computer simulation studies of the dynamics and patterning of screw dislocations in two dimensions. The simulation is carried out using an…

Materials Science · Physics 2007-05-23 Robin L. B. Selinger , Brian B. Smith , Wei-Dong Luo

An in-situ neutron diffraction investigation of the annealing and healing of dislocations in the bulk Pd-D2 system was carried out. Lattice misfit between the alpha and beta hydride phases produces dislocations during the phase transition…

Materials Science · Physics 2022-05-02 T. A. Webb , C. J. Webb , E. MacA. Gray

Point defects such as interstitial atoms are known to be attracted to screw dislocations. Understanding these interaction mechanisms is key to predicting the plasticity of real materials. Using a new machine learning interatomic potential…

Materials Science · Physics 2026-05-28 Matthew Nutter , James R. Kermode , Albert P. Bartók

This study delves into bcc HfNbTaTiZr refractory high entropy alloys, focusing on the $\frac{1}{2}\langle111\rangle$ screw dislocation core structures. While traditional observations in pure elements often revealed compact dislocation…

Materials Science · Physics 2024-05-07 Asif Iqbal Bhatti , David Tingaud , M. Seydou , Sylvain Queyreau

Crystal plasticity of sub-micron finite volumes is characterized by the flow of emergent dislocation defects, giving rise to size effects in mechanical properties and avalanche phenomena. In this chapter, we present a minimal model for…

Materials Science · Physics 2019-08-09 Stefanos Papanikolaou , Michail Tzimas

The deformation behaviour of the intermetallic Al$_{2}$Cu-phase was investigated using atomistic simulations and micropillar compression, where slip on the unexpected {211} and {022} slip planes was revealed. Additionally, all possible slip…

Materials Science · Physics 2021-08-26 D. Andre , Z. Xie , F. Ott , J. T. Pürstl , N. Lohrey , W. J. Clegg , S. Sandlöbes-Haut , S. Korte-Kerzel

In this paper we present experimental data of ultrasonic velocity and attenuation obtained in a high purity crystalline sample of cooper hydrogenated by gaseous charge. The sample is oriented in the <111> crystallographic direction and aged…

Materials Science · Physics 2015-03-17 A. Moreno-Gobbi , G. Zamir , J. A. Eiras

We show here how density functional theory calculations can be used to predict the temperatureand orientation-dependence of the yield stress of body-centered cubic (BCC) metals in the thermallyactivated regime where plasticity is governed…

Materials Science · Physics 2021-05-10 Emmanuel Clouet , Baptiste Bienvenu , Lucile Dezerald , David Rodney

The effect of hydrogen on the fracture behaviour of austenitic stainless steel has been investigated in the past [1][2]. It has been reported that fracture initiates by void formation at inclusions and regions of enhanced strain…

Materials Science · Physics 2019-10-18 Eugene Ogosi , Umair Bin Asim , Amir Siddiq , Mehmet Kartal

Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen…

Computational Engineering, Finance, and Science · Computer Science 2025-03-04 A. Díaz , J. M. Alegre , I. I. Cuesta , E. Martínez-Pañeda

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

Strain rate sensitivity is a key feature of material deformation, whose importance is growing both because miniaturized components experience higher effective rates and because small scale simulations increasingly probe such conditions. As…

Materials Science · Physics 2026-01-01 M. Aissaoui , C. Kahloun , O. U. Salman , S. Queyreau

The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a…

Materials Science · Physics 2024-12-31 Soumendu Bagchi , Danny Perez

Plastic deformation of metals involves the complex evolution of dislocations forming strongly connected dislocation networks. These dislocation networks are based on dislocation reactions, which can form junctions during the interactions of…

Materials Science · Physics 2022-08-22 Balduin Katzer , Kolja Zoller , Daniel Weygand , Katrin Schulz

Dislocation jogs have strong effects on dislocation motion that governs the strain-hardening behavior of crystalline solids, but how to properly account for their effect in mesoscale models remains poorly understood. We develop a mobility…

Materials Science · Physics 2025-09-09 Wu-Rong Jian , Yifan Wang , Wei Cai
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