Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets - Publikacja - MOST Wiedzy

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Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets

Abstrakt

Graphene-like nanosheets are the key elements of advanced materials and systems. The mechanical behavior of the structurally perfect 2D nanostructures is well documented, but that of polycrystalline ones is less understood. Herein, we applied molecular dynamics simulation (MDS) to take the fracture fingerprint of polycrystalline SiC nanosheets (PSiCNS), where monocrystalline SiC nanosheets (MSiCNS) was the reference nanosheet. The mechanical responses of defect-free and defective MSiCNS and PSiCNS having regular cracks and circular-shaped notches were captured as a function of temperature (100–1200 K), such that elevated temperatures were unconditionally deteriorative to the properties. Moreover, larger cracks and notches more severely decreased the strength of PSiCNS, e.g. Young’s modulus dropped to ca. 41% by the crack enlargement. The temperature rise similarly deteriorated the failure stress and Young's modulus of PSiCNS. However, the stress intensity factor increased by the enlargement of the crack length but decreased against temperature. We believe that the findings of the present study can shed some light on designing mechanically stable nanostructures for on-demand working conditions.

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Autorzy (10)

  • Zdjęcie użytkownika  Fatemeh Molaei

    Fatemeh Molaei

    • Mining and Geological Engineering Department, The University of Arizona, Arizona, USA
  • Zdjęcie użytkownika Ms Maryam Zarghami Dehaghani

    Maryam Zarghami Dehaghani Ms

    • Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran
  • Zdjęcie użytkownika  Azam Salmankhani

    Azam Salmankhani

    • Faculty of Mechanical Engineering, K.N. Toosi University of Technology, Tehran, Iran
  • Zdjęcie użytkownika  Sasan Fooladpanjeh

    Sasan Fooladpanjeh

    • Department of Mechanical Engineering, Shahrood Branch, Islamic Azad University, Shahrood, Iran
  • Zdjęcie użytkownika  S. Mohammad Sajadi

    S. Mohammad Sajadi

    • Department of Nutrition, Cihan University-Erbil, Kurdistan Region, Iraq
  • Zdjęcie użytkownika  Mohammad Esmaeili Safa

    Mohammad Esmaeili Safa

    • Department of Mechanical Engineering, Faculty of Engineering and Technology, University of Mazandaran, Babolsar, Iran
  • Zdjęcie użytkownika  Otman Abida

    Otman Abida

    • College of Engineering and Technology, American University of the Middle East, Kuwait
  • Zdjęcie użytkownika  Sajjad Habibzadeh

    Sajjad Habibzadeh

    • Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Tehran, Iran
  • Zdjęcie użytkownika  Amin Hamed Mashhadzadeh

    Amin Hamed Mashhadzadeh

    • Mechanical and Aerospace Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Nur-Sultan 010000, Kazakhstan

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Informacje szczegółowe

Kategoria:
Publikacja w czasopiśmie
Typ:
artykuły w czasopismach
Opublikowano w:
COMPUTATIONAL MATERIALS SCIENCE nr 200,
ISSN: 0927-0256
Język:
angielski
Rok wydania:
2021
Opis bibliograficzny:
Molaei F., Zarghami Dehaghani M., Salmankhani A., Fooladpanjeh S., Sajadi S. M., Esmaeili Safa M., Abida O., Habibzadeh S., Hamed Mashhadzadeh A., Saeb M.: Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets// COMPUTATIONAL MATERIALS SCIENCE -Vol. 200, (2021), s.110770-
DOI:
Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.1016/j.commatsci.2021.110770
Weryfikacja:
Politechnika Gdańska

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