Article(id=1319987075986863031, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319987055371858691, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20210490, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1623772800000, receivedDateStr=2021-06-16, revisedDate=1624982400000, revisedDateStr=2021-06-30, acceptedDate=null, acceptedDateStr=null, onlineDate=1792639043089, onlineDateStr=2026-10-22, pubDate=1645286400000, pubDateStr=2022-02-20, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1792639043089, onlineIssueDateStr=2026-10-22, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1792639043089, creator=13701087609, updateTime=1792639043089, updator=13701087609, issue=Issue{id=1319987055371858691, tenantId=1146029695717560320, journalId=1263187385517883426, year='2022', volume='50', issue='2', pageStart='277', pageEnd='554', issueExtLink='null', onlineDate='null', pubDate='1645286400000', pubDateStr='2022-02-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=0, createTime=1792639038174, creator='13701087609', updateTime=1792639254308, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1319987961958089069, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319987055371858691, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1319987961958089070, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319987055371858691, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=378, endPage=387, ext={EN=ArticleExt(id=1319987076406293432, articleId=1319987075986863031, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=Structure and Properties of Na₂O-Li₂O-Al₂O₃-SiO₂-P₂O₅ Glasses via Molecular Dynamics Simulations, columnId=1263922769897599102, journalTitle=Journal of the Chinese Ceramic Society, columnName=Research Articles, runingTitle=null, highlight=null, articleAbstract=

Phosphosilicate glasses are widely used in optical fiber, biological materials and other fields because of their excellent optical properties and biological activity. The influence of Li₂O content on the microstructure and diffusion properties of Na₂O-Al₂O₃-SiO₂-P₂O₅ glass was investigated via molecular dynamics simulation, and the relationship among the microstructure, Vickers hardness and diffusion coefficient was analyzed. The results show that the degree of phosphorus network polymerization (Q^P) increases with the substitution of Li₂O for Na₂O, and the hardness increases with the increase of Q^P. The self-diffusion of Li⁺ ions is greater than that of Na⁺ ions, indicating that Li⁺ ions are easier to diffuse rather than Na⁺ ions. The potential barrier of Li⁺ ions decreases with the increase of Li₂O. Li₂O is beneficial to the substitution of Na₂O for the diffusion of Li⁺ ions.

, authors=Chunyu CHEN, Hao HU, Cong ZHONG, Xueliang LIU, Huidan ZENG, authorsList=Chunyu CHEN, Hao HU, Cong ZHONG, Xueliang LIU, Huidan ZENG, authorCompany=null, correspAuthors=Huidan ZENG, authorNote=, correspAuthorsNote=, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1319987077052216250, articleId=1319987075986863031, tenantId=1146029695717560320, journalId=1263187385517883426, language=CN, title=Na₂O-Li₂O-Al₂O₃-SiO₂-P₂O₅玻璃的结构与性能的分子动力学模拟, columnId=1263922770220560512, journalTitle=硅酸盐学报, columnName=研究论文, runingTitle=null, highlight=null, articleAbstract=

磷硅酸盐玻璃因有着良好的生物活性和光学性能，已广泛用于生物材料、光纤等领域。运用分子动力学模拟方法研究Li₂O含量对Na₂O-Al₂O₃-SiO₂-P₂O₅玻璃的微观结构以及扩散性能影响，着重讨论了其微观结构与维氏硬度，扩散系数之间的关系。结果表明：玻璃的磷网络聚合度（Q^p）随着Li₂O逐渐替代Na₂O而增加，硬度随着Q^p的增加而增大。体系中Li⁺的自扩散系数比Na⁺大，即Li⁺比Na⁺更易扩散。Li⁺的势垒随着Li₂O增加而逐渐变小，Li₂O对Na₂O取代有益于Li⁺扩散。

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CHEN Chunyu (1995-), female, Master candidate. E-mail: y30180377@mail.ecust.edu.cn

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陈春雨（1995—），女，硕士研究生。

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