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Journal articles
Mechanical properties of icosahedral boron carbide explained from first principles
Abstract : An exhaustive study of the neutral structural defects of icosahedral B4C has been performed with the density functional theory. Vacancies have been determined to be boron vacancies in the C-B-C chains. Their presence is shown to yield a discontinuous variation of crystal volume upon increasing pressure, when the formation of a C-C bond occurs in the chains. The dynamical failure of shocked B4C is attributed to the formation of these C-C bonds.
https://hal-polytechnique.archives-ouvertes.fr/hal-01068310
Contributor : Gaëlle Bruant <>
Submitted on : Thursday, September 25, 2014 - 2:06:47 PM
Last modification on : Friday, March 5, 2021 - 3:05:33 PM
Contributor : Gaëlle Bruant <>
Submitted on : Thursday, September 25, 2014 - 2:06:47 PM
Last modification on : Friday, March 5, 2021 - 3:05:33 PM