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Grain boundaries (GBs) merge and grains disappear during microstructure evolution. However, the Peach-Koehler model predicts that particular stress states may reverse such a process by exerting differential Peach-Koehler forces on different…

Materials Science · Physics 2025-09-04 Wei Wan , Changxin Tang , Eric R Homer

The lifetime and performance of any engineering component, from nanoscale sensors to macroscopic structures, are strongly influenced by fracture processes. Fracture itself is a highly localized event; originating at the atomic scale by bond…

Materials Science · Physics 2022-10-04 Dominik Steinberger , Inas Issa , Rachel Strobl , Peter J. Imrich , Daniel Kiener , Stefan Sandfeld

Absorbing-boundary-condition method and its applications to nuclear responses and breakup reactions are reported. The method facilitates calculations of the continuum states in the coordinate space of many degrees of freedom. Properties of…

Nuclear Theory · Physics 2017-08-23 Takashi Nakatsukasa , Manabu Ueda , Kazuhiro Yabana

Obtaining microscopic structure-property relationships for grain boundaries are challenging because of the complex atomic structures that underlie their behavior. This has led to recent efforts to obtain these relationships with machine…

We study the mechanisms of slip transfer at a grain boundary, in titanium, using Differential Aperture X-ray Laue Micro-diffraction (DAXM). This 3D characterization tool enables measurement of the full (9-component) Nye lattice curvature…

Materials Science · Physics 2020-12-08 Yi Guo , David M. Collins , Edmund Tarleton , Felix Hofmann , Angus J. Wilkinson , T. Ben Britton

As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting…

Materials Science · Physics 2025-09-11 Wei Wan , Junwen Deng , Changxin Tang

Modeling deformation twin nucleation in magnesium has proven to be a challenging task. In particular, the absence of a heterogeneous twin nucleation model which provides accurate energetic descriptions for twin-related structures belies a…

Materials Science · Physics 2025-10-14 Enver Kapan , Sertan Alkan , C. Can Aydıner , Jeremy K. Mason

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

The topological transitions that occur to the grain boundary network during grain growth in a material with uniform grain boundary energies are believed to be known. The same is not true for more realistic materials, since more general…

Materials Science · Physics 2021-10-29 Erdem Eren , Jeremy K. Mason

The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microstructures may be driven by surface tension (capillarity),…

Computational Physics · Physics 2019-08-01 Chaozhen Wei , Luchan Zhang , Jian Han , David J. Srolovitz , Yang Xiang

Disconnections, long recognized as the key mediators of grain boundary (GB) kinetics in polycrystalline materials, have traditionally been understood to nucleate through thermal or mechanical activation. In this work, using atomistic…

Materials Science · Physics 2026-03-09 Zuoyong Zhang , Chuang Deng

A continuum model of the two dimensional low angle grain boundary motion and the dislocation structure evolution on the grain boundaries has been developed in Ref. [48]. The model is based on the motion and reaction of the constituent…

Materials Science · Physics 2020-01-14 Luchan Zhang , Yang Xiang

In this work, strain and geometric necessary dislocations (GNDs) have been mapped with nm-resolution around grain boundaries affected by stress corrosion cracking (SCC) or intergranular oxidation with the aim of clarifying which local…

Addition of solutes is commonly used to stabilize nanocrystalline materials against grain growth. However, segregating at grain boundaries, these solutes also affect the process of dislocation nucleation from grain boundaries under applied…

Materials Science · Physics 2017-12-21 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King

Dislocation interactions at the crack nucleation site were investigated in near-alpha titanium alloy Ti-6242Si subjected to low cycle fatigue. Cyclic plastic strain in the alloy resulted in dislocation pile-ups in the primary alpha grains,…

Materials Science · Physics 2018-06-19 Sudha Joseph , Trevor C Lindley , David Dye

In this paper a composite model for earthquake rupture initiation and propagation is proposed. The model includes aspects of damage mechanics, fiber-bundle models, and slider-block models. An array of elements is introduced in analogy to…

Geophysics · Physics 2010-07-14 G. Yakovlev , J. D. Gran , D. L. Turcotte , J. B. Rundle , W. Klein

We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared…

Materials Science · Physics 2009-11-07 Gang Lu , Nicholas Kioussis

We analyze damage nucleation and localization in the random fuse model with strong disorder using numerical simulations. In the initial stages of the fracture process, damage evolves in an uncorrelated manner, resembling percolation.…

Statistical Mechanics · Physics 2009-11-10 Phani Kumar V. V. Nukala , Srdan Simunovic , Stefano Zapperi

Nucleation processes, through which a new structure progressively forms within a pre-existing homogeneous phase, are fundamental in materials science, but are also typically non-trivial to elucidate. Cases in which to nucleate are defects…

Materials Science · Physics 2025-05-05 Mattia Perrone , David D. Girardier , Giovanni M. Pavan , Fabio Pietrucci

The roles of nuclear deformation and neutron transfer in sub-barrier capture process are studied within the quantum diffusion approach. The change of the deformations of colliding nuclei with neutron exchange can crucially influence the…

Nuclear Theory · Physics 2015-05-30 V. V. Sargsyan , G. G. Adamian , N. V. Antonenko , W. Scheid , H. Q. Zhang
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