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Fracture Toughness Enhancement of Boron Nitride Nanosheets via Crack Edge Passivation Using Various Radicals

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Advances in Systems Engineering

Part of the book series: Lecture Notes in Mechanical Engineering ((LNME))

Abstract

In this paper, classic mechanics-based approach was employed to predict the effect of crack edge passivation using different groups, viz. H, OH on the fracture properties of hexagonal boron nitride nanosheets (BNNS). The interaction between atoms was captured using reactive force field (ReaxFF) potential. In order to investigate fracture phenomenon in crack edge passivated BNNS, fully passivated configurations (H and OH radicals were attached to both sp hybridized N and B atoms) were considered. It was deduced from the results that the passivation of crack edge atoms in BNNS with various groups has enhancing effects on the fracture toughness in zigzag (ZZ) loading direction, while passivation has deteriorating effects in armchair (AC) loading direction. Results observed from this study will be utilizing the full capacity of BNNS nanosheets in different applications, e.g., nano-membrane for ion separation, drug delivery, nanocomposite, etc.

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Authors and Affiliations

  1. Department of Mechanical and Industrial Engineering, Indian Institute of Technology Roorkee, Roorkee, 247667, India

    Bharat Bhushan Sharma & Avinash Parashar

Authors
  1. Bharat Bhushan Sharma
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  2. Avinash Parashar
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Correspondence to Avinash Parashar .

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Editors and Affiliations

  1. Department of Mechanical and Industrial Engineering, Indian Institute of Technology Roorkee, Roorkee, India

    V. H. Saran

  2. Department of Electrical Engineering, Indian Institute of Technology (BHU) Varanasi, Varanasi, India

    Rakesh Kumar Misra

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Sharma, B.B., Parashar, A. (2021). Fracture Toughness Enhancement of Boron Nitride Nanosheets via Crack Edge Passivation Using Various Radicals. In: Saran, V.H., Misra, R.K. (eds) Advances in Systems Engineering. Lecture Notes in Mechanical Engineering. Springer, Singapore. https://doi.org/10.1007/978-981-15-8025-3_12

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  • DOI: https://doi.org/10.1007/978-981-15-8025-3_12

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  • Publisher Name: Springer, Singapore

  • Print ISBN: 978-981-15-8024-6

  • Online ISBN: 978-981-15-8025-3

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