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Linear complexions are stable defect states that form along dislocations and recent experiments have demonstrated strengthening effects exceeding classical precipitation hardening predictions, motivating a detailed study of nanoscale…

Materials Science · Physics 2026-04-15 Zhengyu Zhang , Daniel S. Gianola , Timothy J. Rupert

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…

Materials Science · Physics 2023-03-23 Divya Singh , Vladyslav Turlo , Daniel S. Gianola , Timothy J. Rupert

Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…

Materials Science · Physics 2020-12-09 Vladyslav Turlo , Timothy J. Rupert

Stress-driven segregation at dislocations can lead to structural transitions between different linear complexion states. In this work, we examine how platelet array linear complexions influence dislocation motion and quantify the associated…

Materials Science · Physics 2024-04-11 Pulkit Garg , Daniel S. Gianola , Timothy J. Rupert

A new approach for characterizing the dislocation microstructure obtained from atomistic simulations is introduced, which relies on converting properties of discrete lines to continuous data. This data is represented by a number of density…

Atomistic simulations are used to study linear complexion formation at dislocations in a body-centered cubic Fe-Ni alloy. Driven by Ni segregation, precipitation of the metastable B2-FeNi and stable L10-FeNi phases occurs along the…

Materials Science · Physics 2018-05-11 Vladyslav Turlo , Timothy J. Rupert

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

During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…

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

Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…

Materials Science · Physics 2024-03-04 Geraldine Anis , Thomas Hudson , Peter Brommer

The universality class of the avalanche behavior in plastically deforming crystalline and amorphous systems has been commonly discussed, despite the fact that the microscopic defect character in each of these systems is different. In…

Materials Science · Physics 2019-05-08 Hengxu Song , Dennis Dimiduk , Stefanos Papanikolaou

Grain boundary complexions have been observed to affect the mechanical behavior of nanocrystalline metals, improving both strength and ductility. While an explanation for the improved ductility exists, the observed effect on strength…

Materials Science · Physics 2018-03-28 Vladyslav Turlo , Timothy J. Rupert

Ni-based superalloys have been the subject of enormous usage in scenarios where the loading is heavy and often occurs at elevated temperatures. The strengthening mechanisms that come into play within the metallic lattice have been studied…

Computational Physics · Physics 2017-07-17 Anand Krishna Kanjarla , Gautham Muthusamy , Aditya Venkatraman

This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…

Materials Science · Physics 2021-12-22 Samik Mukherjee , Simone Assali , Oussama Moutanabbir

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

Linear complexions are defect states that have been recently discovered along dislocations in body centered cubic Fe-based alloys. In this work, we use atomistic simulations to extend this concept and explore segregation-driven structural…

Materials Science · Physics 2019-11-20 Vladyslav Turlo , Timothy J. Rupert

Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure co-evolves…

Materials Science · Physics 2017-02-09 Ronghai Wu , Michael Zaiser , Stefan Sandfeld

A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…

Statistical Mechanics · Physics 2013-05-29 Akihiko Minami , Akira Onuki

Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute…

Materials Science · Physics 2026-03-24 N. Saunders , R. S. Averback , P. Bellon

As circuitry approaches single nanometer length scales, it is important to predict the stability of metals at these scales. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if…

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