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The martensitic transformation is one of the most important phenomena in metals science due to its essential contribution to the strength of steels and most engineering alloys. Yet the basic, atomistic mechanisms leading to martensite…

Materials Science · Physics 2020-01-31 Shivraj Karewar , Astrid Elzas , Jilt Sietsma , Maria J. Santofimia

There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries.…

Materials Science · Physics 2016-04-05 Peng Wang , Shaofeng Xu , Jiabin Liu , Xiaoyan Li , Yujie Wei , Hongtao Wang , Huajian Gao , Wei Yang

Nanopowder consolidation under high strain rate shock compression is a potential method for synthesizing and processing bulk nanomaterials. A thorough investigation of the shock deformation of powder materials is of great engineering…

Materials Science · Physics 2024-03-14 D. B. He , M. Y. Wang , W. B. Bi , M. Shang , Y. Cai , L. Deng , X. M. Zhang , J. F. Tang , L. Wang

Grain boundary (GB) segregation in magnesium (Mg) substantially influences its mechanical properties and performance. Atomic-scale modelling, typically using ab-initio or semi-empirical approaches, has mainly focused on GB segregation at…

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

The growth of confined magnetic films with ferromagnetic interactions between nearest-neighbor spins is studied in a stripped $(1+1)-$dimensional rectangular geometry. Magnetic films are grown irreversibly by adding spins at the boundaries…

Statistical Mechanics · Physics 2007-05-23 Julián Candia , Ezequiel V. Albano

High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain…

Materials Science · Physics 2021-05-13 Song Lu , Xun Sun , Xianghai An , Wei Li , Yujie Chen , Hualei Zhang , Levente Vitos

The objective of this work is to assess computationally efficient coarse-grained plasticity models against high-fidelity crystal plasticity simulations for magnesium polycrystals over a wide range of textures and grain sizes. A basic…

Materials Science · Physics 2026-01-13 R. Vigneshwaran , Showren Datta , A. A. Benzerga , Shailendra P. Joshi

Through the combination of transmission electron microscopy analysis of the deformed microstructure and molecular dynamics computer simulations of the deformation processes, the mechanisms of plastic strain recovery in bulk AgCu eutectic…

Materials Science · Physics 2017-01-12 B. P. Eftink , A. Li , I. Szlufarska , I. M. Robertson

The microscopic structure of a prismatic $\Sigma 3$ $(10\bar{1}0)$ twin boundary in \aal2o3 is characterized theoretically by ab-initio local-density-functional theory, and experimentally by spatial-resolution electron energy-loss…

Materials Science · Physics 2009-11-07 S. Fabris , S. Nufer , C. Elsaesser

While intermetallic (IM)-metal interfaces in metallic alloys are critical for tuning mechanical properties, they can also act as failure sites, underscoring the importance of determining their strength. This study reports on a novel…

Strain-controlled fatigue of Mg-1Mn-0.5Nd (wt.\%) alloy were studied by experiment and simulation. The microstructure was made up of a dispersion of strongly texture grains (13\%) embedded in a matrix of grains with a random texture. The…

Materials Science · Physics 2021-03-23 Meijuan Zhang , Hong Zhang , Anxin Ma , Javier Llorca

Double polymer networks exhibit a striking enhancement of toughness compared to single networks, yet the microscopic mechanisms governing stress redistribution, damage evolution, and fracture remain incompletely understood. Using…

Soft Condensed Matter · Physics 2026-01-09 Magali Le Goff , Laureano Ortellado , Jiting Tian , Mehdi Bouzid , Jean-Louis Barrat , Kirsten Martens

Twin growth in hexagonal close-packed zirconium is investigated at the atomic scale by modeling the various disconnections that can exist on twin boundaries. Thanks to a coupling with elasticity theory, core energies are extracted from…

Materials Science · Physics 2017-05-08 Olivier Mackain , Maeva Cottura , David Rodney , Emmanuel Clouet

The irreversible growth of a binary mixture under far-from-equilibrium conditions is studied in three-dimensional confined geometries of size $L_x \times L_y \times L_z$, where $L_z \gg L_x = L_y$ is the growing direction. A competing…

Statistical Mechanics · Physics 2009-11-11 Julián Candia , Ezequiel V. Albano

Deformation twinning in hexagonal crystals is often considered as a way to palliate the lack of independent slip systems. This mechanism might be either exacerbated or shut down in small-scale crystals whose mechanical behavior can…

Materials Science · Physics 2016-03-15 F. Mompiou , M. Legros , C. Ensslen , O. Kraft

High-throughput atomistic simulations reveal the unique effect of solute atoms on twin variant selection in Mg-Al alloys. Twin embryos first undergo a stochastic incubation stage when embryos choose which twin variant to adopt, and then a…

Grain growth competition during solidification determines microstructural features, such as dendritic arm spacings, segregation pattern, and grain texture, which have a key impact on the final mechanical properties. During metal additive…

Materials Science · Physics 2023-06-23 Rouhollah Tavakoli , Damien Tourret

Crystal plasticity theory is often employed to predict the mesoscopic states of polycrystalline metals, and is well-known to be costly to simulate. Using a neural network with convolutional layers encoding correlations in time and space, we…

Computational Physics · Physics 2019-10-09 Ari Frankel , Kousuke Tachida , Reese Jones

Three-dimensional (3D) X-ray diffraction methods were used to analyze the evolution of the load-induced rearrangements of monoclinic twin microstructures within bulk nickel-titanium specimens in 3D and across six orders of magnitude in…