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We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nanocrystalline {\alpha}-Fe single-phase alloy in the presence…

Materials Science · Physics 2024-06-13 Sandip Guin , Albert Linda , Yu-Chieh Lo , Somanth Bhowmick , Rajdip Mukherjee

Alumina microplatelets coated with a small amount of Fe3O4 can be oriented via a rotating magnetic field to create texture. After ultrafast high-temperature sintering (UHS), Fe atoms are found at the grain boundaries and within the grains,…

Materials Science · Physics 2024-07-02 Rohit Pratyush Behera , Andrew Yun Ru Ng , Zehui Du , Chee Lip Gan , Hortense Le Ferrand

Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature within an hour for various materials. However, no existing theory explains this phenomenon since nanocrystals do not grow at room…

Pulsed Laser Deposition allows to obtain W and W-Ta alloy coatings with different nanostructures, monitored by X-ray diffraction. The correlation between such structures and the elastic properties is investigated for amorphous-like,…

Materials Science · Physics 2017-10-24 E. Besozzi , D. Dellasega , A. Pezzoli , C. Conti , M. Passoni , M. G. Beghi

Dynamical structural defects exist naturally in a wide variety of solids. They fluctuate temporally, and hence can deteriorate the performance of many electronic devices. Thus far, the entities of such dynamic objects have been identified…

Mesoscale and Nanoscale Physics · Physics 2017-06-27 Sheng-Shiuan Yeh , Wen-Yao Chang , Juhn-Jong Lin

Nanoporous thin-films are an important class of materials, offering a way to observe fundamental surface and bulk processes with particles larger than individual atoms, but small enough to interact significantly with each other through…

Materials Science · Physics 2016-03-22 Jeffrey G. Ulbrandt , Yang Li , Randall L. Headrick

We have investigated the magnetic behavior of the nano crystals, synthesized by high-energy ball-milling, for a well-known geometrically frustrated spin-chain system, Ca3CoRhO6, and compared its magnetic characteristics with those of the…

Strongly Correlated Electrons · Physics 2015-05-13 Niharika Mohapatra , Kartik K Iyer , B. A. Chalke , E. V. Sampathkumaran

Grain growth is a ubiquitous and fundamental phenomenon observed in the cellular structures with the grain assembly separated by a network of grain boundaries, including metals and ceramics. However, the underlying mechanism of grain growth…

Materials Science · Physics 2021-02-18 Jianfeng Hu , Xianhao Wang , Junzhan Zhang , Zhijian Shen , Jun Luo , Jian Luo

We present modeling approaches to explain mechanisms of control of uniformity (narrow distribution) of sizes and shapes in synthesis of nanosize crystals and micron-size colloids. We consider those situations when the nanocrystals are…

Soft Condensed Matter · Physics 2010-11-29 Vyacheslav Gorshkov , Vladimir Privman

Strengthening by grain refinement via the Hall-Petch mechanism and softening by nanograin formation via the inverse Hall-Petch mechanism have been the subject of argument for decades, particularly for ultrafine-grained materials. In this…

Materials Science · Physics 2024-02-20 Shivam Dangwal , Kaveh Edalati , Ruslan Z. Valiev , Terence G. Langdon

The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…

Statistical Mechanics · Physics 2024-07-09 Arthur France-Lanord , Sarath Menon , Julien Lam

Nanocrystalline textured EuO thin films are prepared by an oxygen loss process from a pure Eu2O3 bulk ceramic target through pulsed laser deposition in vacuum at room temperature. X-ray diffraction spectra evidence a well-defined…

Nanocrystalline Al-Mg alloys are used to isolate the effect of grain boundary doping on the strength of nanostructured metals. Mg is added during mechanical milling, followed by low homologous temperature annealing treatments to induce…

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

Additively manufactured (AM) alloys have heterogeneous microstructures with broad grain size distributions and highly anisotropic and/or non-convex grain shapes. AM components can have complex geometries and porosity which may affect the…

Applied Physics · Physics 2026-05-29 Vivian Tong , Hannah Zhang , Jacopo Del Gaudio , Ken Mingard , Ali Gholinia

This work is a natural extension of the authors previous work, Multiple scattering theory for heterogeneous elastic continua with strong property fluctuation, theoretical fundamentals and applications, which established the foundation for…

Materials Science · Physics 2017-10-12 Huijing He

We have investigated the magnetic state of Nd0.4Sr0.6MnO3 with the variation of its grain size down to average nanometric diameter (40 nm). The bulk sample is antiferromagnetic (AFM) in nature. However, on reduction of the grain size,…

Strongly Correlated Electrons · Physics 2015-05-19 S. Kundu , T. K. Nath

Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response to deformation is incompletely understood. In…

Materials Science · Physics 2020-01-17 David B. Bober , Mukul Kumar , Timothy J. Rupert

A method of preparing the nanoparticles of CaCu3Ti4O12 (CCTO) with the crystallite size varying from 30 to 200 nm is optimized at a temperature as low as 680 1C from the exothermic thermal decomposition of an oxalate precursor,…

Materials Science · Physics 2013-01-18 P. Thomas , K. Dwarakanath , K. B. R. Varma , T. R. N. Kutty

Grain growth in nanocrystalline Al was studied by means of molecular dynamics simulations. The novelty of this study results from the utilization of an algorithm to resolve per-grain kinetics and orientation change from molecular dynamics…

Materials Science · Physics 2016-12-30 Paul W. Hoffrogge , Luis A. Barrales-Mora
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