Transmutation of zonal twinning dislocations during non-cozone {101¯1} twin-twin interaction in magnesium by Peng Chen, Bin Li

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Atomistic simulation of the uniaxial compression of black phosphorene nanotubes by Van-Trang Nguyen, Minh-Quy Le

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Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach by Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte-Kerzel, Talal Al-Samman, Ulrich Kerzel

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Atomistic simulation of the uniaxial tension of black phosphorene nanotubes by Van-Trang Nguyen, Danh-Truong Nguyen, Minh-Quy Le

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Atomistic mechanism underlying shock-induced phase transition in HfNbTaTiZr energetic high-entropy alloy by Xiang-yu Meng, Lei Zhang, Hai-ying Wang, Lan-hong Dai

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DPPC Membrane Under Lateral Compression and Stretching to Extreme Limits: Phase Transitions and Rupture by Subhalaxmi Das, Nikos Ch. Karayiannis, Supriya Roy

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Exploring glass transition in polyethylene via molecular dynamics: From bulk to isolated chain by Etienne Beaumont, Alexandre Fleury, Ali Noroozi, Guillaume Vignaud, Marc Meunier, Armand Soldera

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Atomistic modeling of hydrogen embrittlement at grain boundaries of Mg by L. Liu, L.N. Li, X. Liu, X.D. Shu, C. Xie

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Atomistic simulation of the dislocation interactions with the Al2Ca Laves phase in Mg–Al–Ca alloy by Ruixue Liu, Leyun Wang, Mingyu Gong, Xiaoqin Zeng

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Network aspects of single crystal plasticity by Vasily V. Bulatov, Nicolas Bertin, Sylvie Aubry, Luis A. Zepeda-Ruiz, Xinran Zhou, Aoyan Liang, Tomas Oppelstrup, Babak Sadigh, Athanasios Arsenlis, Ryan Austin, Robert Carson, Nathan R. Barton

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Molecular dynamics simulation and analysis of pre-crystallization layer between liquid and solid states by Pavel V. Chirkov, Vladimir V. Dremov, Roman M. Kichigin, Alexey V. Karavaev, Filipp A. Sapozhnikov, Elena B. Cherepetskaya, Vladimir S. Dub, Ivan A. Ivanov, Sergey V. Salikhov

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Molecular dynamics-based explanation of the reinforcement geometry effects on CNT/graphene-reinforced Al0.3CoCrFeNi high-entropy alloys by Subrata Barman, Kritesh Kumar Gupta, Sudip Dey

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Significant phonon localization and suppressed transport in silicon-doped gallium oxide: A study using a unified neural network interatomic potential by Jing Wu, Hao Zhang, Junjie Zhang, Xingzhi Liu, Guangzhao Qin, Te-Huan Liu, Ronggui Yang

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Atomic orbits in molecules and materials for improving machine learning force fields by Anton Charkin-Gorbulin, Artem Kokorin, Huziel E Sauceda, Stefan Chmiela, Claudio Quarti, David Beljonne, Alexandre Tkatchenko, Igor Poltavsky

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Editorial: Advancing understanding of biological and nanostructured materials through atomistic simulations by Umedjon Khalilov, Umedjon Khalilov, Golibjon R. Berdiyorov, Yuantao Zhang, Maksudbek Yusupov, Maksudbek Yusupov

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