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The evolution of grain structures in materials is a complex and multiscale process that determines the material's final properties. Understanding the dynamics of grain growth is a key factor for controlling this process. We propose a…

Materials Science · Physics 2012-04-12 D. T. Hristopulos , L. Leonidakis , A. Tsetsekou

Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…

Materials Science · Physics 2019-05-02 Ning Zhang , Mohsen Asle Zaeem

Bulk nanocrystalline materials of small and medium ferromagnetic content were produced using severe plastic deformation by high-pressure torsion at roomtemperature. Giant magnetoresistive behavior was found for as deformed materials, which…

Materials Science · Physics 2020-09-08 Stefan Wurster , Martin Stueckler , Lukas Weissitsch , Timo Mueller , Andrea Bachmaier

Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…

Zirconia ceramics have been known as a structural material with high fracture toughness and strength since Garvie et al. discovered phase transformation toughening in 1975 [1]. Although these mechanical properties are the most excellent…

Materials Science · Physics 2021-12-30 Koji Matsui , Kouhei Hosoi , Bin Feng , Hidehiro Yoshida , Yuichi Ikuhara

Nanocrystal gelation provides a powerful framework to translate nanoscale properties into bulk materials and to engineer emergent properties through the assembled microstructure. However, many established gelation strategies rely on…

This work reports the formation of nano- crystalline Al50Cu28Fe22 by high-energy milling. For obtaining the nano-crystalline material, the Al50Cu28Fe22 alloy synthesized through slow cooling of the molten alloy was subjected to ball…

Materials Science · Physics 2007-05-23 T. P. Yadav , N. K. Mukhopadhyay , R. S. Tiwari , O. N. Srivastava

Layered CoO$_2$ is of great interest for its promising properties but is meta-stable in its bulk form. CoO$_2$ was synthesized by converting the quasi-one-dimensional crystal structure of bulk Ca$_3$Co$_2$O$_6$ via a hydrothermal treatment.…

Materials Science · Physics 2024-08-23 Simon Hettler , Kankona Singha Roy , Raul Arenal , Leela S. Panchakarla

Granular materials such as sand, powders, and grains are omnipresent in daily life, industrial applications, and earth-science [1]. When unperturbed, they form stable structures that resemble the ones of other amorphous solids like metallic…

Soft Condensed Matter · Physics 2023-01-19 Ye Yuan , Zhikun Zeng , Yi Xing , Houfei Yuan , Shuyang Zhang , Walter Kob , Yujie Wang

The phase stability of NiAl clusters of nanometer size was studied by using the embedded atom model and Monte Carlo simulation techniques. For temperatures of 500 and 1000 K and for a range of compositions below 70 at.% Al, the equilibrium…

Materials Science · Physics 2024-02-09 Susana Ramos de Debiaggi , Jose Miguel Campillo-Robles , Alejandro Caro

Textured alumina ceramics were obtained by Spark Plasma Sintering (SPS) of undoped commercial a-Al2O3 powders. Various parameters (density, grain growth, grain size distribution) of the alumina ceramics, sintered at two typical temperatures…

Sr1-xMnxTiO3 (where x = 0.03, 0.05, 0.07 and 0.09) was synthesized via different routes that include solid-state, oxalate precipitation and freeze drying. In oxalate precipitation technique, compositions corresponding to 3 and 5 mol %…

Materials Science · Physics 2012-05-08 K. R. S. Preethi Meher , C. Bogicevic , Pierre-Eymeric Janolin , K. B. R. Varma

The ceramic pellets of the nominal compositions Bi$_{0.7}$Ba$_{0.3}$Fe$_{1-x}$Ti$_x$O$_3$ (x = 0.00-0.20) were prepared initially by standard solid state reaction technique. The pellets were then ground into micrometer-sized powders and…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Bashir Ahmmad , Kensaku Kanomata , Kunihiro Koike , Shigeru Kubota , Hiroaki Kato , Fumihiko Hirose , Areef Billah , M. A. Jalil , M. A. Basith

Developing nanostructured bulk ceramics is a major challenge when conventional high-temperature sintering is employed for consolidation. In the current investigation, yttria-stabilized zirconia (YSZ) with a composition of ZrO2 - 3 mol% Y2O3…

Materials Science · Physics 2025-07-31 Kaveh Edalati , Koji Morita , Shivam Dangwal , Zenji Horita

We present atomistic simulations for the mechanical response of ultra nanocrystalline diamond, a polycrystalline form of diamond with grain diameters of the order of a few nm. We consider fully three-dimensional model structures, having…

Materials Science · Physics 2009-11-13 Ioannis N. Remediakis , Georgios Kopidakis , Pantelis C. Kelires

Materials are subjected to energetic particles in a number of radiation environments,and are hence prone to undesirable (radiation) damage.We report here the superiority of the nanocrystalline phase over bulk for radiation tolerance under…

Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…

Materials Science · Physics 2025-01-30 Jiayan Xu , Shreeja Das , Amar Deep Pathak , Abhirup Patra , Sharan Shetty , Detlef Hohl , Roberto Car

The physical and chemical properties of metal nanoparticles differ significantly from those of free metal atoms as well as from the properties of bulk metals, and therefore, they may be viewed as a transition regime between the two physical…

Adaptation and Self-Organizing Systems · Physics 2007-05-23 Horacio G. Rotstein , Amy Novick-Cohen , Rina Tannenbaum

Transparent Al2O3 ceramics have attracted considerable interest for use in a wide range of optical, electronic and structural applications. The fabrication of these ceramics using powder metallurgy processes requires the development of…

Materials Science · Physics 2017-09-14 G. Sh. Boltachev , K. E. Lukyashin , A. L. Maximenko , R. N. Maksimov , V. A. Shitov , M. B. Shtern

Achieving a combination of high mechanical strength and high electrical conductivity in low-weight Al alloys requires a full understanding of the relationships between nanoscaled features and physical properties. Grain boundary…

Materials Science · Physics 2020-08-27 Xavier Sauvage , Fabien Cuvilly , Alan Russell , Kaveh Edalati