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Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)
The equation of state plays a crucial role in calculating the elastic properties of nano TiO 2 (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 ti...
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| Published in: | National Academy science letters 2024-08, Vol.47 (4), p.375-378 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c352t-d12abae904b4a4f314070e2a2a974b2de0ab4ce8cf9795a48c4d8a6f84c28bc33 |
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| cites | cdi_FETCH-LOGICAL-c352t-d12abae904b4a4f314070e2a2a974b2de0ab4ce8cf9795a48c4d8a6f84c28bc33 |
| container_end_page | 378 |
| container_issue | 4 |
| container_start_page | 375 |
| container_title | National Academy science letters |
| container_volume | 47 |
| creator | Pandey, Anjani K. Dixit, Chandra K. Srivastava, Shivam Singh, Prachi Tripathi, Shipra |
| description | The equation of state plays a crucial role in calculating the elastic properties of nano TiO
2
(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
/
V
0
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
/
V
0
), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids. |
| doi_str_mv | 10.1007/s40009-023-01358-0 |
| format | article |
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2
(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
/
V
0
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
/
V
0
), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids.</description><identifier>ISSN: 0250-541X</identifier><identifier>EISSN: 2250-1754</identifier><identifier>DOI: 10.1007/s40009-023-01358-0</identifier><language>eng</language><publisher>New Delhi: Springer India</publisher><subject>Bulk modulus ; Compression ratio ; Elastic properties ; equations ; Equations of state ; Gruneisen parameter ; High pressure ; History of Science ; Humanities and Social Sciences ; Mathematical analysis ; multidisciplinary ; Nanomaterials ; Nanotechnology ; Parameter modification ; prediction ; Rutile ; Science ; Science (multidisciplinary) ; Short Communication ; Thermoelastic properties ; Titanium dioxide</subject><ispartof>National Academy science letters, 2024-08, Vol.47 (4), p.375-378</ispartof><rights>The Author(s), under exclusive licence to The National Academy of Sciences, India 2023</rights><rights>The Author(s), under exclusive licence to The National Academy of Sciences, India 2023.</rights><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c352t-d12abae904b4a4f314070e2a2a974b2de0ab4ce8cf9795a48c4d8a6f84c28bc33</citedby><cites>FETCH-LOGICAL-c352t-d12abae904b4a4f314070e2a2a974b2de0ab4ce8cf9795a48c4d8a6f84c28bc33</cites><orcidid>0000-0002-3502-8017</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27903,27904</link.rule.ids></links><search><creatorcontrib>Pandey, Anjani K.</creatorcontrib><creatorcontrib>Dixit, Chandra K.</creatorcontrib><creatorcontrib>Srivastava, Shivam</creatorcontrib><creatorcontrib>Singh, Prachi</creatorcontrib><creatorcontrib>Tripathi, Shipra</creatorcontrib><title>Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)</title><title>National Academy science letters</title><addtitle>Natl. Acad. Sci. Lett</addtitle><description>The equation of state plays a crucial role in calculating the elastic properties of nano TiO
2
(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
/
V
0
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
/
V
0
), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids.</description><subject>Bulk modulus</subject><subject>Compression ratio</subject><subject>Elastic properties</subject><subject>equations</subject><subject>Equations of state</subject><subject>Gruneisen parameter</subject><subject>High pressure</subject><subject>History of Science</subject><subject>Humanities and Social Sciences</subject><subject>Mathematical analysis</subject><subject>multidisciplinary</subject><subject>Nanomaterials</subject><subject>Nanotechnology</subject><subject>Parameter modification</subject><subject>prediction</subject><subject>Rutile</subject><subject>Science</subject><subject>Science (multidisciplinary)</subject><subject>Short Communication</subject><subject>Thermoelastic properties</subject><subject>Titanium dioxide</subject><issn>0250-541X</issn><issn>2250-1754</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNp9kE1Lw0AQhhdRsNT-AU8BL_UQnf1qskcp9QMLLVLB27LZTGxKmq27ycF_79YIggdPM_A-7zA8hFxSuKEA2W0QAKBSYDwFymWewgkZMSYhpZkUp2QEx10K-nZOJiHsIg1yJiVlI_K82aLz2NXWNMnaY1nbrnZtUjmfxMjvXbpoTIh5TN0BfVdjSFyVbOoVS6YvfVc3mKy3JuD1BTmrTBNw8jPH5PV-sZk_psvVw9P8bplaLlmXlpSZwqACUQgjKk4FZIDMMKMyUbASwRTCYm4rlSlpRG5FmZtZlQvL8sJyPibT4e7Bu48eQ6f3dbDYNKZF1wfNqeRZPqMqj-jVH3Tnet_G7zQHJaXKpIJIsYGy3oXgsdIHX--N_9QU9FGxHhTrqFh_K9bHEh9KIcLtO_rf0_-0vgBXG30Y</recordid><startdate>20240801</startdate><enddate>20240801</enddate><creator>Pandey, Anjani K.</creator><creator>Dixit, Chandra K.</creator><creator>Srivastava, Shivam</creator><creator>Singh, Prachi</creator><creator>Tripathi, Shipra</creator><general>Springer India</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7S9</scope><scope>L.6</scope><orcidid>https://orcid.org/0000-0002-3502-8017</orcidid></search><sort><creationdate>20240801</creationdate><title>Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)</title><author>Pandey, Anjani K. ; Dixit, Chandra K. ; Srivastava, Shivam ; Singh, Prachi ; Tripathi, Shipra</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c352t-d12abae904b4a4f314070e2a2a974b2de0ab4ce8cf9795a48c4d8a6f84c28bc33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Bulk modulus</topic><topic>Compression ratio</topic><topic>Elastic properties</topic><topic>equations</topic><topic>Equations of state</topic><topic>Gruneisen parameter</topic><topic>High pressure</topic><topic>History of Science</topic><topic>Humanities and Social Sciences</topic><topic>Mathematical analysis</topic><topic>multidisciplinary</topic><topic>Nanomaterials</topic><topic>Nanotechnology</topic><topic>Parameter modification</topic><topic>prediction</topic><topic>Rutile</topic><topic>Science</topic><topic>Science (multidisciplinary)</topic><topic>Short Communication</topic><topic>Thermoelastic properties</topic><topic>Titanium dioxide</topic><toplevel>online_resources</toplevel><creatorcontrib>Pandey, Anjani K.</creatorcontrib><creatorcontrib>Dixit, Chandra K.</creatorcontrib><creatorcontrib>Srivastava, Shivam</creatorcontrib><creatorcontrib>Singh, Prachi</creatorcontrib><creatorcontrib>Tripathi, Shipra</creatorcontrib><collection>CrossRef</collection><collection>AGRICOLA</collection><collection>AGRICOLA - Academic</collection><jtitle>National Academy science letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Pandey, Anjani K.</au><au>Dixit, Chandra K.</au><au>Srivastava, Shivam</au><au>Singh, Prachi</au><au>Tripathi, Shipra</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)</atitle><jtitle>National Academy science letters</jtitle><stitle>Natl. Acad. Sci. Lett</stitle><date>2024-08-01</date><risdate>2024</risdate><volume>47</volume><issue>4</issue><spage>375</spage><epage>378</epage><pages>375-378</pages><issn>0250-541X</issn><eissn>2250-1754</eissn><abstract>The equation of state plays a crucial role in calculating the elastic properties of nano TiO
2
(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
/
V
0
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
/
V
0
), i.e., the variation of Grüneisen parameter with volume compression ratio remains constant for solids.</abstract><cop>New Delhi</cop><pub>Springer India</pub><doi>10.1007/s40009-023-01358-0</doi><tpages>4</tpages><orcidid>https://orcid.org/0000-0002-3502-8017</orcidid></addata></record> |
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| ispartof | National Academy science letters, 2024-08, Vol.47 (4), p.375-378 |
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| source | Springer Nature |
| subjects | Bulk modulus Compression ratio Elastic properties equations Equations of state Gruneisen parameter High pressure History of Science Humanities and Social Sciences Mathematical analysis multidisciplinary Nanomaterials Nanotechnology Parameter modification prediction Rutile Science Science (multidisciplinary) Short Communication Thermoelastic properties Titanium dioxide |
| title | Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase) |
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