{"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}
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.
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.