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The role of plastic deformation in the high-pressure compaction of granular material is investigated using bonded particle model simulations. Grains are discretized into a set of computational particles connected by pairwise bonds. Bonds…

Soft Condensed Matter · Physics 2024-10-21 Joel T. Clemmer , Jeremy B. Lechman

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Twisted and rope-like assemblies of filamentous molecules are common and vital structural elements in cells and tissue of living organisms. We study the intrinsic frustration occurring in these materials between the two-dimensional…

Soft Condensed Matter · Physics 2015-06-03 Amir Azadi , Gregory M. Grason

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

Amorphous grain boundary complexions act as toughening features within a microstructure because they can absorb dislocations more efficiently than traditional grain boundaries. This toughening effect should be a strong function of the local…

Materials Science · Physics 2023-08-09 Pulkit Garg , Timothy J. Rupert

Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…

Materials Science · Physics 2023-07-04 Mingqiang Li , Yidi Shen , Kun Luo , Qi An , Peng Gao , Penghao Xiao , Yu Zou

Linear complexions are stable defect states, where the stress field associated with a dislocation induces a local phase transformation that remains restricted to nanoscale dimensions. As these complexions are born at the defects which…

Materials Science · Physics 2023-10-12 Divya Singh , Daniel S. Gianola , Timothy J. Rupert

The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…

Applied Physics · Physics 2023-09-29 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han

We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

Because of the enormous range of time and space scales involved in dislocation dynamics, plastic modeling at macroscale requires a continuous formulation. In this paper, we present a rigorous formulation of the transition between the…

Materials Science · Physics 2016-06-22 P. L. Valdenaire , Y. Le Bouar , B. Appolaire , A. Finel

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…

The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…

Materials Science · Physics 2017-09-06 Zhiliang Pan , Timothy J. Rupert

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior -- low and converging or high and…

Materials Science · Physics 2018-05-23 Nicolas Argibay , Michael E. Chandross , Shengfeng Cheng , Joseph R. Michael

Molecular dynamics simulations are used to investigate strain localization in a model nanocrystalline metal. The atomic mechanisms of such catastrophic failure are first studied for two grain sizes of interest. Detailed analysis shows that…

Materials Science · Physics 2014-08-26 Timothy J. Rupert

Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…

Materials Science · Physics 2015-06-22 Jason F. Panzarino , Jesus J. Ramos , Timothy J. Rupert

Atomic crystals with dislocations deform plastically at low stresses via dislocation glide. Whether dislocation glide occurs in macroscopic frictional granular media has remained unknown. The discrete element method is employed to simulate…

Materials Science · Physics 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

Size-dependence of plastic flow is studied by discrete dislocation dynamical simulation of systems with various numbers of interacting linear edge dislocations while the stress is slowly increased. Regions between avalanches in the…

Materials Science · Physics 2015-03-05 Peter Szabo , Peter Dusan Ispanovity , Istvan Groma

Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…

Laser hardening of metals occurs under the influence of a shock wave, which changes the distribution and density of one-dimensional defects - dislocations. There is a relationship between the density of dislocations, the grain size and the…

Optics · Physics 2026-01-21 A. G. Sukharev

A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…

Materials Science · Physics 2019-11-18 M. Magri , G. Lemoine , L. Adam , J. Segurado