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Ab initio calculations of the mechanical properties of Ti3SiC2
KTH, Superseded Departments, Materials Science and Engineering.
2001 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 79, no 10, 1450-1452 p.Article in journal (Refereed) Published
Abstract [en]

We present results of first-principles calculations of the elastic constants and other mechanical properties of Ti3SiC2. This knowledge is important from a technological point of view, since the material shows promising characteristics, such as a combined metallic and ceramic appearance. We also confirm a recent experimental observation that the structure of Ti3SiC2 is stable at elevated pressures, and investigate some consequences of this fact.

Place, publisher, year, edition, pages
2001. Vol. 79, no 10, 1450-1452 p.
Keyword [en]
molecular-dynamics, elastic properties, transition, pseudopotentials, ti3al1.1c1.8, ti4aln3
URN: urn:nbn:se:kth:diva-20904ISI: 000170647200014OAI: diva2:339601
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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Ahuja, RajeevJohansson, Börje
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