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Dive into the research topics where Mark J. Noordhoek is active.

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Featured researches published by Mark J. Noordhoek.


Applied Physics Letters | 2013

Atomistic structure of (Ba,Sr)TiO3: Comparing molecular-dynamics simulations with structural measurements

Mark J. Noordhoek; Victor Krayzman; Aleksandr V. Chernatynskiy; Simon R. Phillpot; Igor Levin

Atomistic structures of Ba1−xSrxTiO3 (x ≤ 0.5) determined by molecular-dynamics simulations are compared with five types of experimental structural data and with the results of multiple-technique Reverse Monte Carlo refinements. The simulations and experimental studies agree on many fundamental aspects of the local atomic displacements; in some cases, this agreement is quantitative, in others only semi-quantitative. Key local-structure characteristics of the solid solutions are identified along with a possible mechanism of dielectric relaxation.


Materials Science & Engineering R-reports | 2013

Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials

Tao Liang; Tzu-Ray Shan; Yu-Ting Cheng; Bryce D. Devine; Mark J. Noordhoek; Yangzhong Li; Zhize Lu; Simon R. Phillpot; Susan B. Sinnott


Mrs Bulletin | 2012

Variable charge many-body interatomic potentials

Yun Kyung Shin; Tzu-Ray Shan; Tao Liang; Mark J. Noordhoek; Susan B. Sinnott; Adri C. T. van Duin; Simon R. Phillpot


Journal of Nuclear Materials | 2016

Phase equilibria in the U-Si system from first-principles calculations

Mark J. Noordhoek; Theodore M. Besmann; David A. Andersson; S.C. Middleburgh; Aleksandr V. Chernatynskiy


Journal of Nuclear Materials | 2013

Charge-optimized many-body (COMB) potential for zirconium

Mark J. Noordhoek; Tao Liang; Zizhe Lu; Tzu-Ray Shan; Susan B. Sinnott; Simon R. Phillpot


Journal of Nuclear Materials | 2014

Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials

Mark J. Noordhoek; Tao Liang; Tsu-Wu Chiang; Susan B. Sinnott; Simon R. Phillpot


Acta Materialia | 2016

Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

Yongfeng Zhang; Xian-Ming Bai; Jianguo Yu; Michael R. Tonks; Mark J. Noordhoek; Simon R. Phillpot


Journal of Nuclear Materials | 2015

Deformation processes in polycrystalline Zr by molecular dynamics simulations

Zizhe Lu; Mark J. Noordhoek; Aleksandr V. Chernatynskiy; Susan B. Sinnott; Simon R. Phillpot


Journal of Nuclear Materials | 2015

Nanoindentation of Zr by molecular dynamics simulation

Zizhe Lu; Aleksandr V. Chernatynskiy; Mark J. Noordhoek; Susan B. Sinnott; Simon R. Phillpot


Computational Materials Science | 2015

Anisotropy in oxidation of zirconium surfaces from density functional theory calculations

Tsu-Wu Chiang; Aleksandr V. Chernatynskiy; Mark J. Noordhoek; Susan B. Sinnott; Simon R. Phillpot

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Susan B. Sinnott

Pennsylvania State University

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Tao Liang

University of Florida

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Zizhe Lu

University of Florida

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Theodore M. Besmann

University of South Carolina

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David A. Andersson

Los Alamos National Laboratory

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