Hydrogen Adsorption on Solid and Liquid Surfaces of Ga–Sn and Ga–In by Charlie Ruffman, Samuel R. B. Case, Tom Grayson, Nicola Gaston

Subjects: “…ab initio molecular dynamics…”
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Ab initio molecular dynamic simulation of Zn-Al-Fe alloys by Zhang H., Zhao J., Pu Z., Li Y., Xu B.Q., Yang B.

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Dissolution Mechanism of YbOF in (LiF-CaF₂)_eut. Molten Salt by Linsheng Luo, Kailei Sun, Xu Wang

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Composition-dependent diffusion and viscosity behavior in liquid Ti–Al–Ni ternary alloys by Jiayin Li, Jin Wang, Xinxin Li, Jingyu Qin

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Crystal Chemistry at Interfaces Between Liquid Al and Polar SiC{0001} Substrates by Changming Fang, Zhongyun Fan

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Modification of a ReaxFF potential at short range for energetic materials by Weiyi Li, Tao Wang, Wenhua Li, Jintao Wang, Wanxiao Guo, Zexin Jiang, Yilin Fang, Xiyao Yun, Ning Gao

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Machine-learned interatomic potentials for accurate analysis of the mechanical properties of boron nitride sheets by Vijay Choyal, Mahesh Patil, Nitin Luhadiya, S I Kundalwal

Subjects: “…ab initio molecular dynamics…”
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Theoretical exploring superior stiffness and strength of ternary carbosilicides TM0.5Si0.5C (TM=Cr, Mo, W) with excellent stability for extreme conditions by Lei Chen, Qun Wei, Qi Jia, Meiguang Zhang, Junlian Xu, Zhenyi Jiang

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A Computational Review on Localized High‐Concentration Electrolytes in Lithium Batteries by Xi Chen, Hao Yu

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