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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

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

Nanocrystalline pure FCC metals and some alloys are known to exhibit abnormal grain growth. Addition of solutes, such as W, has led to improved grain size stability in nanocrystalline Ni. While several groups have investigated grain growth…

Applied Physics · Physics 2024-10-22 Keerti Pandey , Aman Prasad

Microcompression testing is used to probe the uniaxial stress-strain response of a nanocrystalline alloy, with an emphasis on exploring how grain size and grain boundary relaxation state impact the complete flow curve and failure behavior.…

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

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

Nanocrystalline metals with average grain sizes of only a few nanometers have recently been observed to fail through the formation of shear bands. Here, we investigate this phenomenon in nanocrystalline Ni which has had its grain structure…

Materials Science · Physics 2015-04-06 Amirhossein Khalajhedayati , Timothy J. Rupert

Nanocrystalline metals typically have high fatigue strengths, but low resistance to crack propagation. Amorphous intergranular films are disordered grain boundary complexions that have been shown to delay crack nucleation and slow crack…

A complex study of aging kinetics for both coarse-grained and nanostructured by severe plastic deformation Cu -- 2 wt% Be alloy is reported. It is shown that aging of a coarse-grained alloy leads to continuous formation of nanosized CuBe…

Materials Science · Physics 2020-05-12 Ivan Lomakin , Miguel Castillo-Rodríguez , Xavier Sauvage

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

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

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

Solute segregation is used to limit grain growth in nanocrystalline metals, but this stabilization often breaks down at high temperatures. Amorphous intergranular films can form in certain alloys at sufficiently high temperatures, providing…

Materials Science · Physics 2018-05-16 Jennifer D. Schuler , Olivia K. Donaldson , Timothy J. Rupert

The wear behavior of two amorphous and polycrystalline forms of MoS2 prepared by magnetron sputtering has been characterized in a combined nanoindentation and atomic force microscopy study. From the analysis of the depth and width of wear…

Materials Science · Physics 2025-08-27 Hesam Khaksar , Prashant Mittal , Nabil Daghbouj , Grzegorz Cios , Tomas Polcar , Enrico Gnecco

Nanostructures have the immense potential to supplant the traditional metallic structure as they show enhanced mechanical properties through strain hardening. In this paper, the effect of grain size on the hardening mechanism of Al-Cu…

Materials Science · Physics 2017-12-27 Satyajit Mojumder , Tawfiqur Rakib , Mohammad Motalab , Dibakar Datta

We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…

Materials Science · Physics 2021-02-22 Arthur Després , Jean-Denis Mithieux , Chad. W. Sinclair

The microstructural characteristics of a single crystalline nickel based superalloy (AM1) tested under high temperature fatigue at 950$^\circ$C are reported. For repeated fatigue (R$_\varepsilon$=0) through a range of cycle numbers N with…

Materials Science · Physics 2021-10-13 Valerie Brien , B. Décamps

The origin of wear particles in metallic sliding contacts remains debated. Classical views based on cold-welded junctions suggest that plastic yielding of the real contact area should lead to large wear coefficients, in apparent…

Soft Condensed Matter · Physics 2026-01-27 R. Xu , B. N. J. Persson

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…

Polycrystalline diamond films with systematic change in microstructure that varies from microcrystalline to nanocrystalline structure are synthesized on Si by hot filament chemical vapor deposition. The morphology and structural properties…

Materials Science · Physics 2019-01-10 P. K. Ajikumar , K. Ganesan , N. Kumar , T. R. Ravindran , S. Kalavathi , M. Kamruddin

Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and…

Materials Science · Physics 2016-01-27 David B. Bober , Amirhossein Khalajhedayati , Mukul Kumar , Timothy J. Rupert
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