HTR+: a novel algorithm for identifying type and polycrystal of gas hydrates

In this work, the hierarchical topology ring (HTR+) algorithm, an extension of the HTR algorithm, was developed for identifying gas hydrate types, cage structures, and grain boundaries (GBs) within polycrystalline structures. Utilizing molecular dynamics trajectories of polycrystalline hydrates, the...

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Vydané v:	Journal of physics. Condensed matter Ročník 36; číslo 36
Hlavní autori:	Shi, Qiao, Lin, Ziyan, Qu, Yongxiao, Wu, Jianyang, Zhang, Zhisen
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England 10.06.2024
Predmet:	structural recognition algorithm molecular dynamic polycrystals gas hydrates grain boundary
ISSN:	1361-648X, 1361-648X
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