Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)

IF 1.2 4区 综合性期刊 Q3 MULTIDISCIPLINARY SCIENCES National Academy Science Letters Pub Date : 2023-11-08 DOI:10.1007/s40009-023-01358-0
Anjani K. Pandey, Chandra K. Dixit, Shivam Srivastava, Prachi Singh, Shipra Tripathi
{"title":"Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)","authors":"Anjani K. Pandey,&nbsp;Chandra K. Dixit,&nbsp;Shivam Srivastava,&nbsp;Prachi Singh,&nbsp;Shipra Tripathi","doi":"10.1007/s40009-023-01358-0","DOIUrl":null,"url":null,"abstract":"<div><p>The equation of state plays a crucial role in calculating the elastic properties of nano TiO<sub>2</sub> (Rutile phase). In this study, we used three different equations of state, namely Birch Murnaghan 3rd EOS, modified Lenard Jones EOS, and Vinet–Rydberg EOS to investigate the thermoelastic properties of titanium dioxide under high pressure. The obtained results for pressure calculations at different values of <i>V</i>/<i>V</i><sub>0</sub> are in good agreement with available experimental data, indicating that these EOSs can be used for calculating the thermoelastic properties of nanomaterials as well. In this research, we established the bulk modulus, first pressure derivative of bulk modulus, and the Grüneisen parameter. The theoretically calculated results were compared with the available data, and it was found that the ratio of <i>γ</i>/Ω (where Ω = <i>V</i>/<i>V</i><sub>0</sub>), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids.</p></div>","PeriodicalId":717,"journal":{"name":"National Academy Science Letters","volume":"47 4","pages":"375 - 378"},"PeriodicalIF":1.2000,"publicationDate":"2023-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"National Academy Science Letters","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1007/s40009-023-01358-0","RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0

Abstract

The equation of state plays a crucial role in calculating the elastic properties of nano TiO2 (Rutile phase). In this study, we used three different equations of state, namely Birch Murnaghan 3rd EOS, modified Lenard Jones EOS, and Vinet–Rydberg EOS to investigate the thermoelastic properties of titanium dioxide under high pressure. The obtained results for pressure calculations at different values of V/V0 are in good agreement with available experimental data, indicating that these EOSs can be used for calculating the thermoelastic properties of nanomaterials as well. In this research, we established the bulk modulus, first pressure derivative of bulk modulus, and the Grüneisen parameter. The theoretically calculated results were compared with the available data, and it was found that the ratio of γ/Ω (where Ω = V/V0), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids.

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
二氧化钛(金红石相)热弹性性能的理论预测
状态方程在计算纳米二氧化钛(金红石相)的弹性特性中起着至关重要的作用。在这项研究中,我们使用了三种不同的状态方程,即 Birch Murnaghan 3rd EOS、修正的 Lenard Jones EOS 和 Vinet-Rydberg EOS,来研究二氧化钛在高压下的热弹性特性。不同 V/V0 值下的压力计算结果与现有实验数据非常吻合,表明这些 EOS 也可用于计算纳米材料的热弹性特性。在这项研究中,我们建立了体弹性模量、体弹性模量的一压导数以及格吕尼森参数。将理论计算结果与现有数据进行比较后发现,γ/Ω 的比值(其中 Ω = V/V0),即格鲁尼森参数随体积压缩比的变化对于固体来说保持不变。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
National Academy Science Letters
National Academy Science Letters 综合性期刊-综合性期刊
CiteScore
2.20
自引率
0.00%
发文量
86
审稿时长
12 months
期刊介绍: The National Academy Science Letters is published by the National Academy of Sciences, India, since 1978. The publication of this unique journal was started with a view to give quick and wide publicity to the innovations in all fields of science
期刊最新文献
On the Modeling of Two Covid-19 Data Sets Using a Generalized Log-Exponential Transformed Distribution Hypoestes phyllostachya Baker: A New Record of Invasive Alien Plant Species from Uttarakhand, India Comparison of Different Signal Peptide Targeting EGFP Translocation Periplasm in Salmonella Bistorta coriacea (Sam.) Yonek. & H.Ohashi (Polygonaceae): An Addition to the Angiospermic Flora of India Bacterial Wilt Caused by Ralstonia solanacearum: A Potential Threat to Brinjal Cultivated in Sikkim, India
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1