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Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…

Materials Science · Physics 2009-02-27 Robert E. Rudd

A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…

When compressed, a metallic specimen will generally experience changes to its crystallographic texture due to plasticity-induced rotation. Ultrafast x-ray diffraction techniques make it possible to measure rotation of this kind in targets…

Materials Science · Physics 2022-02-18 Patrick G. Heighway , Justin S. Wark

The mechanical scaling laws of dealloyed nanoporous metals depart from classical Gibson-Ashby predictions for open-cell foams due to a decreased connectivity in their solid network. However, these scaling relations have been established…

Materials Science · Physics 2026-04-27 J. I. Ramallo , N. Vázquez von Bibow , M. A. Monclús , I. McCue , M. C. Fuertes , C. J. Ruestes

Along with high strength, plasticity is what makes metals so widely usable in our material world. Both strength and plasticity properties of a metal are defined by the motion of dislocations - line defects in the crystal lattice that divide…

Materials Science · Physics 2017-10-17 Luis A. Zepeda-Ruiz , Alexander Stukowski , Tomas Oppelstrup , Vasily V. Bulatov

Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…

Materials Science · Physics 2018-10-29 Jianjun Bian , Hao Zhang , Xinrui Niu , Gangfeng Wang

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

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

We present a study of the elastic and plastic behavior of nanoporous gold in compression, focusing on molecular dynamics simulation and inspecting experimental data for verification. Both approaches agree on an anomalously high elastic…

Nanoporous metals or nanofoams are a promising material class that is considered for sensing, actuation, and catalysis. To date, they mostly based on simple noble metals such as nanoporous gold, which exhibit peculiar stress-strain response…

Materials Science · Physics 2022-07-29 Arne J. Klomp , Karsten Albe

Mechanical deformation of nanopillars displays features that are distinctly different from the bulk behavior of single crystals: Yield strength increases with decreasing size and plastic deformation comes together with strain bursts or/and…

Materials Science · Physics 2016-06-06 Stefanos Papanikolaou , Hengxu Song , Erik Van der Giessen

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

Understanding nanomechanical response of materials represents a scientific challenge. Here, we have used in-situ electron microscopy to reveal drastic for the first time changes of structural behavior during deformation of 1-nm-wide metal…

Materials Science · Physics 2009-10-22 Maureen J. Lagos , Fernando Sato , Douglas S. Galvao , Daniel Ugarte

The porous titanium nickelide is very popular in various industries due to unique combination of physical and mechanical properties such as shape memory effect, high corrosion resistance, and biocompatibility. The non-equilibrium molecular…

Materials Science · Physics 2021-05-17 Bulat N. Galimzyanov , Anatolii V. Mokshin

Hexagonal close-packed (hcp) titanium exhibits a complex temperature-dependent mechanical response that is central to its use in structural applications. We employ large-scale molecular dynamics simulations to investigate the…

Materials Science · Physics 2025-09-30 G. Markovic , F. J. Dominguez-Gutierrez

Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation,…

Soft Condensed Matter · Physics 2015-02-17 Patrick Huber

We have developed a method to simulate behavior of nanoporous materials in a molecular dynamics code. The nanoporous solid is produced via a spinodal decomposition of a material brought from a supercritical fluid into the two phase…

Materials Science · Physics 2008-07-10 Mark Duchaineau , Alex V. Hamza , Tomas Diaz De La Rubia , Farid F. Abraham

Developing materials that can withstand the intense environments of nuclear fusion reactors is critical in developing long-term commercial viability for energy production. Tungsten is the primary candidate as a plasma facing material due to…

Materials Science · Physics 2023-12-11 Jarod Worden , Celine Hin

Amorphous metallic foams are prospective materials due to unique combination of their mechanical and energy-absorption properties. In the present work, atomistic dynamics simulations are performed under isobaric conditions with the pressure…

Materials Science · Physics 2020-05-22 Bulat N. Galimzyanov , Anatolii V. Mokshin

Liquid adsorption in nanoporous materials induces their deformation due to strong capillary forces. The linear relationship between the liquid pressure and the solid strain (pore-load modulus) provides an experimental technique to determine…

Soft Condensed Matter · Physics 2017-10-31 J. Puibasset

When a material is subjected to an applied stress, the material will experience recoverable elastic deformation followed by permanent plastic deformation at the point when the applied stress exceeds the yield stress of the material.…

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