id:"swepub:oai:DiVA.org:uu-464444"
Sökning: id:"swepub:oai:DiVA.org:uu-464444" > Pushing the limit o...
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
- Li, ShaohanSoutheast Univ, Sch Mat Sci & Engn, Nanjing 211189, Peoples R China.;Southeast Univ, Jiangsu Prov Key Lab Adv Met Mat, Nanjing 211189, Peoples R China (författare)
Pushing the limit of thermal conductivity of MAX borides and MABs
- Artikel/kapitelEngelska2022
Förlag, utgivningsår, omfång ...
- Elsevier,2022
- printrdacarrier
Nummerbeteckningar
- LIBRIS-ID:oai:DiVA.org:uu-464444
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-464444URI
- https://doi.org/10.1016/j.jmst.2021.05.006DOI
Kompletterande språkuppgifter
- Språk:engelska
- Sammanfattning på:engelska
Ingår i deldatabas
- SwePubSwePub
Klassifikation
Anmärkningar
- The emergence of MAX borides as well as MAB phases attracted great attention because of the renewable developments of ternary ceramics and offering great opportunities in potential applications. However, the number of borides remains limited, and further fundamental descriptions and detailed investigations on various properties are still lacking. In this report, we employ an integrated computational scheme that combines density functional theory with the evolutional algorithm to search for the favorable structures of P- and S-glued ternary borides terminated by Nb metal. We discover that the structures of 212-type, as e.g. Nb2PB2 and Nb2SB2, belong to the P‾6m2 space group, while those of 211-type, as e.g. Nb2PB and Nb2SB, prefer to crystallize in the P63/mmc space group, and the corresponding carbides Nb2PC and Nb2SC are also considered for the sake of completeness and comparative analsys. The predicted Nb2PB2, Nb2PB, Nb2SB, Nb2PC and Nb2SC are energetically stable, as revealed by the negative formation energies and by the proposed reaction paths with respect to the most competing phases, as well as dynamically stable, as suggested by the non-imaginary phonon spectra. The thermal conductivities of the six materials show unusual behaviors, particularly for the acoustic and optical contributions, and are accompanied by a strong anisotropy. Most importantly, Nb2PB2 is found to be an excellent thermal conductor with a total thermal conductivity of ~65 W/(m K), while Nb2SC is found to be an ultra-low thermal conductor, with a total thermal conductivity of ~5 W/(m K). These values are clearly outside the currently reported range of thermal conductivities, which makes Nb2PB2 and Nb2SC extremely interesting for fundamental research as well as prospective applications with the aid of artificial tunings on the almost independent MB block and the A layer. The discovery of these novel materials is expected to contribute substantially to the rapid development of ternary ceramics and to accelerate attempts in the applicability of MAX phases for heat conduction.
Ämnesord och genrebeteckningar
- NATURVETENSKAP Kemi Materialkemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Materials Chemistry hsv//eng
- MAX and MAB phases
- Density functional theory calculation
- Structure searching
- Thermal conductivity
Biuppslag (personer, institutioner, konferenser, titlar ...)
- Sun, WeiweiSoutheast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanop Ctr, Nanjing 210096, Peoples R China (författare)
- Luo, YiSoutheast Univ, Sch Mat Sci & Engn, Nanjing 211189, Peoples R China.;Southeast Univ, Jiangsu Prov Key Lab Adv Met Mat, Nanjing 211189, Peoples R China (författare)
- Yu, JinSoutheast Univ, Sch Mat Sci & Engn, Nanjing 211189, Peoples R China.;Southeast Univ, Jiangsu Prov Key Lab Adv Met Mat, Nanjing 211189, Peoples R China (författare)
- Sun, LitaoSoutheast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanop Ctr, Nanjing 210096, Peoples R China (författare)
- Wang, Bao-TianChinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Peoples R China (författare)
- Liu, Ji-XuanDonghua Univ, Coll Mat Sci & Engn, Inst Funct Mat, State Key Lab Modificat Chem Fibers & Polymer Mat, Shanghai 201620, Peoples R China (författare)
- Zhang, Guo-JunDonghua Univ, Coll Mat Sci & Engn, Inst Funct Mat, State Key Lab Modificat Chem Fibers & Polymer Mat, Shanghai 201620, Peoples R China (författare)
- Di Marco, IgorUppsala universitet,Materialteori,Materialfysik,Asia Pacific Ctr Theoret Phys, Pohang 790784, Gyeonbuk, South Korea; POSTECH, Dept Phys, Pohang 790784, Gyeonbuk, South Korea(Swepub:uu)igodi229 (författare)
- Southeast Univ, Sch Mat Sci & Engn, Nanjing 211189, Peoples R China.;Southeast Univ, Jiangsu Prov Key Lab Adv Met Mat, Nanjing 211189, Peoples R ChinaSoutheast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanop Ctr, Nanjing 210096, Peoples R China (creator_code:org_t)
Sammanhörande titlar
- Ingår i:Journal of Materials Science & Technology: Elsevier97, s. 79-881005-0302
Internetlänk
Hitta via bibliotek
- Journal of Materials Science & Technology (Sök värdpublikationen i LIBRIS)
Till lärosätets databas
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
Hitta mer i SwePub
- Av författaren/redakt...
- Li, Shaohan
- Sun, Weiwei
- Luo, Yi
- Yu, Jin
- Sun, Litao
- Wang, Bao-Tian
- visa fler...
- Liu, Ji-Xuan
- Zhang, Guo-Jun
- Di Marco, Igor
- visa färre...
- Om ämnet
-
- NATURVETENSKAP
- NATURVETENSKAP
- och Kemi
- och Materialkemi
- Artiklar i publikationen
- Journal of Mater ...
- Av lärosätet
- Uppsala universitet
Sök utanför SwePub
- Sök vidare i:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - Nationella bibliotekssystem
- LIBRIS.kb.se
