{"title":"Evolution Process of Fault Silica Aerogel under High Temperatures: A Molecular Dynamics Approach.","authors":"Wenping Yue, Tao Luo, Kaide Liu","doi":"10.3390/gels10080539","DOIUrl":null,"url":null,"abstract":"<p><p>Building fire will seriously threaten human safety. Silica aerogel with low thermal conductivity and thermal stability as fire-retardant material has been widely used in building fireproof structures. However, the natural fragility of silica aerogel will limit its application. In this work, the effects of faults on the thermal stability of silica aerogel are studied by molecular dynamics simulation with large simulation time (20 ns). Additionally, the atomic model of silica aerogel with random faults is built by a straining structure (tensile strains are 10%, 20%, 30%, and 40%). It is found that when the tensile strain is less than 20%, the silica backbone can remain stable. The effects of faults on the thermal stability can be neglected. The silica backbone thermally vibrates during the heating process. However, when the tensile strain is over 30%, it is observed that the faults will enhance the silica backbone merging. Silica aerogel can be stable under 800 K. It is believed that the results of this study will pave the way for the development of fireproof materials.</p>","PeriodicalId":12506,"journal":{"name":"Gels","volume":"10 8","pages":""},"PeriodicalIF":5.0000,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11354013/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Gels","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3390/gels10080539","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
引用次数: 0
Abstract
Building fire will seriously threaten human safety. Silica aerogel with low thermal conductivity and thermal stability as fire-retardant material has been widely used in building fireproof structures. However, the natural fragility of silica aerogel will limit its application. In this work, the effects of faults on the thermal stability of silica aerogel are studied by molecular dynamics simulation with large simulation time (20 ns). Additionally, the atomic model of silica aerogel with random faults is built by a straining structure (tensile strains are 10%, 20%, 30%, and 40%). It is found that when the tensile strain is less than 20%, the silica backbone can remain stable. The effects of faults on the thermal stability can be neglected. The silica backbone thermally vibrates during the heating process. However, when the tensile strain is over 30%, it is observed that the faults will enhance the silica backbone merging. Silica aerogel can be stable under 800 K. It is believed that the results of this study will pave the way for the development of fireproof materials.
期刊介绍:
The journal Gels (ISSN 2310-2861) is an international, open access journal on physical (supramolecular) and chemical gel-based materials. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the maximum length of the papers, and full experimental details must be provided so that the results can be reproduced. Short communications, full research papers and review papers are accepted formats for the preparation of the manuscripts.
Gels aims to serve as a reference journal with a focus on gel materials for researchers working in both academia and industry. Therefore, papers demonstrating practical applications of these materials are particularly welcome. Occasionally, invited contributions (i.e., original research and review articles) on emerging issues and high-tech applications of gels are published as special issues.