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Refractory complex concentrated alloys (RCCAs) show promise for high-temperature applications but often lose strength due to screw-dislocation-controlled plasticity. We demonstrate a temperature-driven transition from screw- to…

Energy efficiency is motivating the search for new high-temperature metals. Some new body-centered-cubic random multicomponent "high entropy alloys (HEAs)" based on refractory elements (Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr) possess exceptional…

Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been the object of much research over the last decade due to their high potential as candidate materials for high-temperature applications. Most of these…

Materials Science · Physics 2022-05-17 Sicong He , Xinran Zhou , Dan Mordehai , Jaime Marian

Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…

Materials Science · Physics 2026-02-20 Subhendu Chakraborty , Liang Qi

Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which…

Materials Science · Physics 2018-04-18 Yue Zhao , Jaime Marian

Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, posing significant challenges in processing and major concerns for damage tolerance. The brittleness is largely dictated by the screw dislocation core; the…

Materials Science · Physics 2022-09-27 Rui Wang , Lingyu Zhu , Subrahmanyam Pattamatta , David J. Srolovitz , Zhaoxuan Wu

The body centered cubic (BCC) high entropy alloys MoNbTaW and MoNbTaVW show exceptional strength retention up to 1900K. The mechanistic origin of the retained strength is unknown yet is crucial for finding the best alloys across the immense…

Materials Science · Physics 2019-11-11 Francesco Maresca , William A. Curtin

Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plastic…

Materials Science · Physics 2025-02-18 Kathryn R. Jones , Khanh Dang , Daniel N. Blaschke , Saryu J. Fensin , Abigail Hunter

The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and…

Materials Science · Physics 2020-11-25 M. Boleininger , M. Gallauer , S. L. Dudarev , T. D. Swinburne , D. R. Mason , D. Perez

The validity of the structure-property relationships governing the deformation behavior of bcc metals was brought into question with recent {\it ab initio} density functional studies of isolated screw dislocations in Mo and Ta. These…

Materials Science · Physics 2008-08-22 Travis E. Jones , Mark E. Eberhart , Dennis P. Clougherty , Chris Woodward

Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…

Materials Science · Physics 2016-08-04 Amlan Dutta

Charge transfer in concentrated alloys governs their structural stability and functional response, and can be strongly perturbed by lattice defects. In high-entropy alloys, the interaction between edge dislocations and volume misfit plays a…

Materials Science · Physics 2026-05-26 Gautam Anand , Swarnava Ghosh , Suman Chabri , Markus Eisenbach

A number of recent Molecular Dynamics (MD) simulations have demonstrated that screw dislocations in face centered cubic (fcc) metals can achieve stable steady state motion above the lowest shear wave speed ($v_\text{shear}$) which is…

Materials Science · Physics 2021-04-16 Daniel N. Blaschke , Jie Chen , Saryu Fensin , Benjamin A. Szajewski

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

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

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…

Materials Science · Physics 2007-09-12 Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp

Improving the high-temperature performance and low-temperature plasticity of tantalum (Ta) alloys is a significant scientific challenge. We employed first-principles calculations to study the interaction between screw dislocations and…

Materials Science · Physics 2024-04-09 Jiajun Feng , Kangzhi Zhou , Xiaowei Zhou , Xiao Fu , Qiuting Luo , Ziran Liu

In traditional body-centered cubic (bcc) metals, the core properties of screw dislocations play a critical role in plastic deformation at low temperatures. Recently, much attention has been focused on refractory high-entropy alloys (RHEAs),…

Materials Science · Physics 2020-06-26 Sheng Yin , Jun Ding , Mark Asta , Robert O. Ritchie

Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…

Materials Science · Physics 2009-11-10 David L. Olmsted , Louis G. Hector , W. A. Curtin , R. J. Clifton

Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of chemical short-range ordering (CSRO) on dislocation glide in two model RMPEAs - TaNbTi…

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