Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature

We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably,...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Applied physics letters 2023-12, Vol.123 (23)
Hauptverfasser: Kastuar, Srihari M., Liu, Zhong-Li, Najmaei, Sina, Ekuma, Chinedu E.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue 23
container_start_page
container_title Applied physics letters
container_volume 123
creator Kastuar, Srihari M.
Liu, Zhong-Li
Najmaei, Sina
Ekuma, Chinedu E.
description We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably, c-BN undergoes a brittle-to-ductile transition at ∼220 GPa, consistent across various dynamical temperatures, while diamond exhibits no such transition. Furthermore, the Vickers hardness profile for c-BN closely mirrors that of diamond across a spectrum of temperature–pressure conditions, highlighting c-BN's significant mechanical robustness. These results underscore the superior resilience and adaptability of c-BN compared to diamond, suggesting its potential as an ideal candidate for applications in extreme environments.
doi_str_mv 10.1063/5.0172885
format Article
fullrecord <record><control><sourceid>proquest_scita</sourceid><recordid>TN_cdi_scitation_primary_10_1063_5_0172885</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2897188733</sourcerecordid><originalsourceid>FETCH-LOGICAL-c287t-b174a1cad8778f30fb488a388f24e698e763bcc1de39553a41097c84c583adcb3</originalsourceid><addsrcrecordid>eNp9kE9LxDAUxIMouK4e_AYBTwpdk6ZpXo-y-A9WvOjV8pqkmGXbrEl62G9vpHv2NAz8Zh5vCLnmbMVZLe7linFVAsgTsuBMqUJwDqdkwRgTRd1Ifk4uYtxmK0shFuTrzepvHJ3GHd0Hv7chORup76meOqdp54Mf6ehScMZSHA01DgefFRM1hxGHY9TGOIWZSHbIPZiyvyRnPe6ivTrqknw-PX6sX4rN-_Pr-mFT6BJUKjquKuQaDSgFvWB9VwGgAOjLytYNWFWLTmturGikFFhx1igNlZYg0OhOLMnN3Jt_-JlsTO3WT2HMJ9sSGsUBlBCZup0pHXyMwfbtPrgBw6HlrP2br5Xtcb7M3s1s1C5hcn78B_4F13pv2g</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2897188733</pqid></control><display><type>article</type><title>Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Kastuar, Srihari M. ; Liu, Zhong-Li ; Najmaei, Sina ; Ekuma, Chinedu E.</creator><creatorcontrib>Kastuar, Srihari M. ; Liu, Zhong-Li ; Najmaei, Sina ; Ekuma, Chinedu E.</creatorcontrib><description>We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably, c-BN undergoes a brittle-to-ductile transition at ∼220 GPa, consistent across various dynamical temperatures, while diamond exhibits no such transition. Furthermore, the Vickers hardness profile for c-BN closely mirrors that of diamond across a spectrum of temperature–pressure conditions, highlighting c-BN's significant mechanical robustness. These results underscore the superior resilience and adaptability of c-BN compared to diamond, suggesting its potential as an ideal candidate for applications in extreme environments.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/5.0172885</identifier><identifier>CODEN: APPLAB</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Boron nitride ; Cubic boron nitride ; Diamond pyramid hardness ; Diamonds ; Ductile-brittle transition ; Extreme environments ; Mechanical properties ; Molecular dynamics</subject><ispartof>Applied physics letters, 2023-12, Vol.123 (23)</ispartof><rights>Author(s)</rights><rights>2023 Author(s). Published under an exclusive license by AIP Publishing.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c287t-b174a1cad8778f30fb488a388f24e698e763bcc1de39553a41097c84c583adcb3</cites><orcidid>0000-0002-3234-310X ; 0000-0001-8535-1990 ; 0000-0002-7900-1561 ; 0000-0002-5852-7556</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/apl/article-lookup/doi/10.1063/5.0172885$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,780,784,794,4512,27924,27925,76384</link.rule.ids></links><search><creatorcontrib>Kastuar, Srihari M.</creatorcontrib><creatorcontrib>Liu, Zhong-Li</creatorcontrib><creatorcontrib>Najmaei, Sina</creatorcontrib><creatorcontrib>Ekuma, Chinedu E.</creatorcontrib><title>Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature</title><title>Applied physics letters</title><description>We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably, c-BN undergoes a brittle-to-ductile transition at ∼220 GPa, consistent across various dynamical temperatures, while diamond exhibits no such transition. Furthermore, the Vickers hardness profile for c-BN closely mirrors that of diamond across a spectrum of temperature–pressure conditions, highlighting c-BN's significant mechanical robustness. These results underscore the superior resilience and adaptability of c-BN compared to diamond, suggesting its potential as an ideal candidate for applications in extreme environments.</description><subject>Applied physics</subject><subject>Boron nitride</subject><subject>Cubic boron nitride</subject><subject>Diamond pyramid hardness</subject><subject>Diamonds</subject><subject>Ductile-brittle transition</subject><subject>Extreme environments</subject><subject>Mechanical properties</subject><subject>Molecular dynamics</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LxDAUxIMouK4e_AYBTwpdk6ZpXo-y-A9WvOjV8pqkmGXbrEl62G9vpHv2NAz8Zh5vCLnmbMVZLe7linFVAsgTsuBMqUJwDqdkwRgTRd1Ifk4uYtxmK0shFuTrzepvHJ3GHd0Hv7chORup76meOqdp54Mf6ehScMZSHA01DgefFRM1hxGHY9TGOIWZSHbIPZiyvyRnPe6ivTrqknw-PX6sX4rN-_Pr-mFT6BJUKjquKuQaDSgFvWB9VwGgAOjLytYNWFWLTmturGikFFhx1igNlZYg0OhOLMnN3Jt_-JlsTO3WT2HMJ9sSGsUBlBCZup0pHXyMwfbtPrgBw6HlrP2br5Xtcb7M3s1s1C5hcn78B_4F13pv2g</recordid><startdate>20231204</startdate><enddate>20231204</enddate><creator>Kastuar, Srihari M.</creator><creator>Liu, Zhong-Li</creator><creator>Najmaei, Sina</creator><creator>Ekuma, Chinedu E.</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0002-3234-310X</orcidid><orcidid>https://orcid.org/0000-0001-8535-1990</orcidid><orcidid>https://orcid.org/0000-0002-7900-1561</orcidid><orcidid>https://orcid.org/0000-0002-5852-7556</orcidid></search><sort><creationdate>20231204</creationdate><title>Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature</title><author>Kastuar, Srihari M. ; Liu, Zhong-Li ; Najmaei, Sina ; Ekuma, Chinedu E.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c287t-b174a1cad8778f30fb488a388f24e698e763bcc1de39553a41097c84c583adcb3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Applied physics</topic><topic>Boron nitride</topic><topic>Cubic boron nitride</topic><topic>Diamond pyramid hardness</topic><topic>Diamonds</topic><topic>Ductile-brittle transition</topic><topic>Extreme environments</topic><topic>Mechanical properties</topic><topic>Molecular dynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kastuar, Srihari M.</creatorcontrib><creatorcontrib>Liu, Zhong-Li</creatorcontrib><creatorcontrib>Najmaei, Sina</creatorcontrib><creatorcontrib>Ekuma, Chinedu E.</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kastuar, Srihari M.</au><au>Liu, Zhong-Li</au><au>Najmaei, Sina</au><au>Ekuma, Chinedu E.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature</atitle><jtitle>Applied physics letters</jtitle><date>2023-12-04</date><risdate>2023</risdate><volume>123</volume><issue>23</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><coden>APPLAB</coden><abstract>We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably, c-BN undergoes a brittle-to-ductile transition at ∼220 GPa, consistent across various dynamical temperatures, while diamond exhibits no such transition. Furthermore, the Vickers hardness profile for c-BN closely mirrors that of diamond across a spectrum of temperature–pressure conditions, highlighting c-BN's significant mechanical robustness. These results underscore the superior resilience and adaptability of c-BN compared to diamond, suggesting its potential as an ideal candidate for applications in extreme environments.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/5.0172885</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0002-3234-310X</orcidid><orcidid>https://orcid.org/0000-0001-8535-1990</orcidid><orcidid>https://orcid.org/0000-0002-7900-1561</orcidid><orcidid>https://orcid.org/0000-0002-5852-7556</orcidid><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 0003-6951
ispartof Applied physics letters, 2023-12, Vol.123 (23)
issn 0003-6951
1077-3118
language eng
recordid cdi_scitation_primary_10_1063_5_0172885
source AIP Journals Complete; Alma/SFX Local Collection
subjects Applied physics
Boron nitride
Cubic boron nitride
Diamond pyramid hardness
Diamonds
Ductile-brittle transition
Extreme environments
Mechanical properties
Molecular dynamics
title Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-06T18%3A57%3A37IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_scita&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Mechanical%20properties%20of%20cubic%20boron%20nitride%20and%20diamond%20at%20dynamical%20pressure%20and%20temperature&rft.jtitle=Applied%20physics%20letters&rft.au=Kastuar,%20Srihari%20M.&rft.date=2023-12-04&rft.volume=123&rft.issue=23&rft.issn=0003-6951&rft.eissn=1077-3118&rft.coden=APPLAB&rft_id=info:doi/10.1063/5.0172885&rft_dat=%3Cproquest_scita%3E2897188733%3C/proquest_scita%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2897188733&rft_id=info:pmid/&rfr_iscdi=true