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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Bibliographic Details

Published in:	Journal of physics. Condensed matter Vol. 36; no. 36
Main Authors:	Shi, Qiao, Lin, Ziyan, Qu, Yongxiao, Wu, Jianyang, Zhang, Zhisen
Format:	Journal Article
Language:	English
Published:	England 10.06.2024
Subjects:	structural recognition algorithm molecular dynamic polycrystals gas hydrates grain boundary
ISSN:	1361-648X, 1361-648X
Online Access:	Get more information
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