Molecular dynamics study of the fracture of single layer buckled silicon monosulfide and germanium selenide

• Autorzy: Le M.-Q

Identyfikatory

DOI

10.24423/aom.3871

• Języki publikacji: EN

Abstrakty

EN

Molecular dynamics simulations were conducted with the Stillinger–Weber potential at room temperature to study the mechanical properties and find the mode-I critical stress intensity factor of buckled two-dimensional (2D) hexagonal silicon mono-sulfide (SiS) and germanium selenide (GeSe) sheets. Uniaxial tensile tests were simulated for pristine and pre-cracked sheets. 2D Young’s modulus of SiS and GeSe are estimated at 38.3 and 26.0 N/m, respectively. Their 2D fracture strength is about 3.1–3.5 N/m. By using the initial crack length with the corresponding fracture stress, their mode-I critical stress intensity factor is estimated in the range from 0.19 through 0.22 MPapm. These values differ within 5% from those obtained by the surface energy and are very small compared to the reported fracture toughness of single-crystalline monolayer graphene.

Słowa kluczowe

EN

2D materials; fracture; molecular dynamics simulation; mechanical properties

• Wydawca: Instytut Podstawowych Problemów Techniki PAN
• Czasopismo: Archives of Mechanics
• Rocznik: 2022
• Tom: Vol. 74, nr 1
• Strony: 3--12
• Opis fizyczny: Bibliogr. 19 poz., rys., wykr.

Twórcy

autor

Le M.-Q

• Division of Mechanics of Materials and Structures, School of Mechanical Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi, Viet Nam

Bibliografia

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