Results 11 to 20 of about 366,004 (264)
Matching crystal structures atom-to-atom [PDF]
The Journal of Chemical Physics, 2020 Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions and developing models for interface and grain boundary structures. In this work, we formulate the matching of crystals as an optimization problem where the goal is to find the ...
Félix Therrien +2 more
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Incompleteness of Atomic Structure Representations [PDF]
Physical Review Letters, 2020 Many-body descriptors are widely used to represent atomic environments in the construction of machine-learned interatomic potentials and more broadly for fitting, classification, and embedding tasks on atomic structures. There is a widespread belief in the community that three-body correlations are likely to provide an overcomplete description of the ...
Sergey N. Pozdnyakov +5 more
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Studying exotic hadrons in high energy nuclear collisions [PDF]
EPJ Web of ConferencesStudies of exotic hadrons such as the χc1 (3872) state provide crucial insights into the fundamental force governing the strong interaction dynamics, with an emerging new frontier to investigate their production in high energy nuclear collisions where a ...
Guo Xingyu, Liao Jinfeng, Xing Hongxi
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Metals, 2021 In this paper, experiments were carried out on (Zr0.5Cu0.4Al0.1)100-xNbx (x = 0, 3, 6 at.%) amorphous alloys, and the corresponding ab initio molecular dynamics simulation was performed.
Hongqing Wei, Ping Zhang, Yi Tang
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Molecular Basis of Water Activity in Glycerol–Water Mixtures
Frontiers in Chemistry, 2019 Water activity (Aw) is a reliable indication of the microbial growth, enzymatic activity, preservation, and quality of foods. However, a molecular basis of Aw is still under debate in multiple related disciplines.
Hiroshi Nakagawa, Taiji Oyama
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J/ψ production within a jet in high-energy proton-proton and nucleus-nucleus collisions [PDF]
EPJ Web of ConferencesWe report a systematic study of J/ψ production within a jet in pp and its modification in heavy-ion collisions. Within the framework of leading power factorization formalism of nonrelativistic QCD, we calculate the jet fragmentation function for high-pT ...
Zhang Shan-Liang, Xing Hongxi
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Non-hardening embrittlement mechanism of pressure vessel steel Ni-Cr-Mo-V welds during thermal aging
Advances in Mechanical Engineering, 2020 The mechanical performance of reactor pressure vessel materials is an important factor in the safety and economics of the operation of a nuclear power plant.
Guojun Wei +4 more
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