液态二氧化锗压缩结构可视化

IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY
Pramana Pub Date : 2024-08-23 DOI:10.1007/s12043-024-02813-3
Nguyen Van Hong
{"title":"液态二氧化锗压缩结构可视化","authors":"Nguyen Van Hong","doi":"10.1007/s12043-024-02813-3","DOIUrl":null,"url":null,"abstract":"<div><p>Oxygen packing factor (OPF) and atomic-level structure characteristics of the germania system at high temperature and pressure were investigated based on molecular dynamics (MD) simulation. Data analytic techniques, including Monte Carlo method, machine learning and data mining, were used to gain insights from the simulation data. We focus on elucidating the correlation between structure and OPF under high pressure. The research results have established the relationship of the network structure, polyamorphism, liquid–liquid phase transformations and microphase separation with OPF. The research findings revealed promising possibilities in developing novel materials and their applications.\n</p></div>","PeriodicalId":743,"journal":{"name":"Pramana","volume":"98 3","pages":""},"PeriodicalIF":1.9000,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Visualising the structure of liquid germanium dioxide under compression\",\"authors\":\"Nguyen Van Hong\",\"doi\":\"10.1007/s12043-024-02813-3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Oxygen packing factor (OPF) and atomic-level structure characteristics of the germania system at high temperature and pressure were investigated based on molecular dynamics (MD) simulation. Data analytic techniques, including Monte Carlo method, machine learning and data mining, were used to gain insights from the simulation data. We focus on elucidating the correlation between structure and OPF under high pressure. The research results have established the relationship of the network structure, polyamorphism, liquid–liquid phase transformations and microphase separation with OPF. The research findings revealed promising possibilities in developing novel materials and their applications.\\n</p></div>\",\"PeriodicalId\":743,\"journal\":{\"name\":\"Pramana\",\"volume\":\"98 3\",\"pages\":\"\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-08-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Pramana\",\"FirstCategoryId\":\"4\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12043-024-02813-3\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pramana","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1007/s12043-024-02813-3","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

基于分子动力学(MD)模拟研究了高温高压下锗系的氧堆积因子(OPF)和原子级结构特征。我们使用了数据分析技术,包括蒙特卡罗方法、机器学习和数据挖掘,从模拟数据中获得启示。我们重点阐明了高压下结构与 OPF 之间的相关性。研究结果确定了网络结构、多态性、液液相变和微相分离与 OPF 的关系。研究成果揭示了开发新型材料及其应用的广阔前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Visualising the structure of liquid germanium dioxide under compression

Visualising the structure of liquid germanium dioxide under compression

Oxygen packing factor (OPF) and atomic-level structure characteristics of the germania system at high temperature and pressure were investigated based on molecular dynamics (MD) simulation. Data analytic techniques, including Monte Carlo method, machine learning and data mining, were used to gain insights from the simulation data. We focus on elucidating the correlation between structure and OPF under high pressure. The research results have established the relationship of the network structure, polyamorphism, liquid–liquid phase transformations and microphase separation with OPF. The research findings revealed promising possibilities in developing novel materials and their applications.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Pramana
Pramana 物理-物理:综合
CiteScore
3.60
自引率
7.10%
发文量
206
审稿时长
3 months
期刊介绍: Pramana - Journal of Physics is a monthly research journal in English published by the Indian Academy of Sciences in collaboration with Indian National Science Academy and Indian Physics Association. The journal publishes refereed papers covering current research in Physics, both original contributions - research papers, brief reports or rapid communications - and invited reviews. Pramana also publishes special issues devoted to advances in specific areas of Physics and proceedings of select high quality conferences.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信