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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…

材料科学 · 物理学 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…

计算物理 · 物理学 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…

材料科学 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

材料科学 · 物理学 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…

计算物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

软凝聚态物质 · 物理学 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…

材料科学 · 物理学 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…

太阳与恒星天体物理 · 物理学 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…

计算物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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,…

材料科学 · 物理学 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…

材料科学 · 物理学 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,…

材料科学 · 物理学 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…

软凝聚态物质 · 物理学 2013-05-02 Hideyuki Mizuno , Stefano Mossa , Jean-Louis Barrat
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