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We develop a new Voronoi protocol, which is a space tessellation method, to generate fully dense (containing no voids) nanocrystalline models of copper (Cu) with precise grain size control; we also perform uniaxial tensile tests using…

Materials Science · Physics 2013-07-05 Guo-Jie J. Gao , Yun-Jiang Wang , Shigenobu Ogata

The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…

Computational Physics · Physics 2018-04-25 Katarzyna Kowalczyk-Gajewska , Marcin Maździarz

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

This Letter is motivated by some recent experiments on pan-cake shaped nano-samples of metallic glass that indicate a decline in the measured shear modulus upon decreasing the sample radius. Similar measurements on crystalline samples of…

Soft Condensed Matter · Physics 2014-06-30 Yossi Cohen , Itamar Procaccia

Recent progress on studies of the nanoscale mechanical responses in disordered systems has highlighted a strong degree of heterogeneity in the elastic moduli. In this contribution, using computer simulations, we study the elastic…

Soft Condensed Matter · Physics 2016-02-12 Hideyuki Mizuno , Leonardo E. Silbert , Matthias Sperl

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

Anisotropic core-shell model of a nano-grained polycrystal is extended to estimate the effective elastic stiffness of several metals of hexagonal crystal lattice symmetry. In the approach the bulk nanocrystalline material is described as a…

Computational Physics · Physics 2020-09-22 Katarzyna Kowalczyk-Gajewska , Marcin Maździarz

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

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

The common notion suggests that metallic glasses (MGs) are a homogeneous solid at the macroscopic scale; however, recent experiments and simulations indicate that MGs contain nano-scale elastic heterogeneities. Despite the fundamental…

Materials Science · Physics 2019-09-27 B. A. Sun , Y. C. Hu , D. P. Wang , P. Wen , W. H. Wang , C. T. Liu , Y. Yang

Experiments on isotropic compression of a granular assembly of spheres show that the shear and bulk moduli vary with the confining pressure faster than the 1/3 power law predicted by Hertz-Mindlin effective medium theories (EMT) of contact…

Soft Condensed Matter · Physics 2009-11-11 Hernan A. Makse , Nicolas Gland , David L. Johnson , Lawrence Schwartz

We present the first high pressure Raman study on nanocrystalline ZnO films with different average crystallite sizes. The problem of low Raman signals from nano sized particles was overcome by forming a nanocomposite of Ag and ZnO…

Materials Science · Physics 2009-11-13 Vinod Panchal , Shankar Ghosh , Smita Gohil , Nilesh kulkarni , Pushan Ayyub

Elastic properties of the solid regions of neutron star crusts and white dwarfs play an important role in theories of stellar oscillations. Matter in compact stars is presumably polycrystalline and, since the elastic properties of single…

Solar and Stellar Astrophysics · Physics 2015-06-23 D. Kobyakov , C. J. Pethick

Anisotropic core-shell model of a nano-grained polycrystal, proposed recently for nanocrystalline copper, is applied to estimate elastic effective properties for a set of crystals of cubic symmetry. Materials selected for analysis differ in…

Computational Physics · Physics 2019-08-20 Katarzyna Kowalczyk-Gajewska , Marcin Maździarz

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

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

Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of this material as a function of the average grain size,…

Materials Science · Physics 2008-07-16 Ioannis N. Remediakis , Georgios Kopidakis , Pantelis C. Kelires

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

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

Glasses exhibit spatially inhomogeneous elastic properties, which can be investigated by measuring their elastic moduli at a local scale. Various methods to evaluate the local elastic modulus have been proposed in the literature. A first…

Soft Condensed Matter · Physics 2013-05-02 Hideyuki Mizuno , Stefano Mossa , Jean-Louis Barrat
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