Theoretical examination of the fracture behavior of BC3 polycrystalline nanosheets: Effect of crack size and temperature
Dadrasi A. Albooyeh A. Fooladpanjeh S. Salmankhani A. Hamed Mashhadzadeh A. Saeb M.R.
February 2022Elsevier B.V.
Mechanics of Materials
2022#165
2D carbon graphene nanostructures are elements of advanced materials and systems. This theoretical survey provides explanation to the mechanical and fracture behavior of mono- and polycrystalline BC3 nanosheets (denoted as MC- and PCBC3NS, respectively) as a function of temperature and the type of crack defects. The mechanical performance of PCBC3NS at elevated temperatures was monitored varying the number of grain boundaries (the main source of stress concentration) by considering structural defects forming during the crystal growth. Molecular dynamics (MD) simulation was applied as a cost-effective technique to model and test MC- and PCBC3NS by selecting the proper potential function and boundary conditions. The results demonstrated that the mechanical properties of the perfect crystalline PCBC3NS was decreased by increase of the number of grains, particularly when the grain numbers were equal to or more than 36. For defective PCBC3NS, the mechanical properties were decreased by the crack length and the temperature. The lowest values of the Youngs modulus, failure stress, and failure strain were assigned to the PCBC3NS having the crack length of L/2 at 1000 K, respectively by 23%, 46%, and 33% lower than the corresponding defect-free PCBC3NS. The crack tip played a key role in failure behavior, even more that the number of grain boundaries. Eventually, the critical stress intensity was decreased gradually by increasing the temperature. The results of this work can be generalized to more complicated cases to deepen understanding and predict fracture fingerprint of the next generations of 2D nanostructures.
BC3 nanosheet , Crack propagation , Fracture toughness , Mechanical properties , Polycrystalline
Text of the article Перейти на текст статьи
Department of Mechanical Engineering, Shahrood Branch, Islamic Azad University, Shahrood, Iran
School of Engineering, Damghan University, Damghan, Iran
Faculty of Mechanical Engineering, K.N. Toosi University of Technology, Tehran, Iran
Mechanical and Aerospace Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Nur-Sultan, 010000, Kazakhstan
Department of Polymer Technology, Faculty of Chemistry, Gdańsk University of Technology, G. Narutowicza 11/12 80-233, Gdańsk, Poland
Department of Mechanical Engineering
School of Engineering
Faculty of Mechanical Engineering
Mechanical and Aerospace Engineering
Department of Polymer Technology
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026