Atomistic modeling of BN nanofillers for mechanical and thermal properties: A review

Rajesh Kumar, Avinash Parashar

Research output: Contribution to journalReview articlepeer-review

79 Scopus citations

Abstract

Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5-6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of engineering and biomedical science. Accurate modeling of failure or fracture in a nanomaterial inherently involves coupling of atomic domains of cracks and voids as well as a deformation mechanism originating from grain boundaries. This review highlights the recent progress made in the atomistic modeling of boron nitride nanofillers. Continuous improvements in computational power have made it possible to study the structural properties of these nanofillers at the atomistic scale.

Original languageEnglish
Pages (from-to)22-49
Number of pages28
JournalNanoscale
Volume8
Issue number1
DOIs
StatePublished - 7 Jan 2016
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2016 The Royal Society of Chemistry.

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