Mechanical Properties of All MoS2 Monolayer Heterostructures: Crack Propagation and Existing Notch Study
نویسندگان
چکیده
The outstanding thermal, optical, electrical and mechanical properties of molybdenum disolphide (MoS2) heterostructures make them exceptional candidates for an extensive area applications. Nevertheless, despite considerable technological academic interest, there is presently a few information regarding the these novel two-dimensional (2D) materials in presence defects. In this manuscript, we performed molecular dynamics simulations on pre-cracked pre-notched all-molybdenum heterostructure systems using ReaxFF force field. Therefore, study influence several central-crack lengths notch diameters response 2H phase, 1T phase composite /1T MoS2 monolayers with different concentrations under uniaxial tensile loading at room temperature. Our models reveal that larger cracks notches decrease strength all 2D single-layer heterostructures. Additionally, studied crack sizes, films exhibits largest strength. Maximum stress 2H/1T nanosheet are higher than those equivalent which implies structure remarkably stronger phase. comparison results cracked notched all-MoS2 load bearing capacity samples monolayer ones.
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ژورنال
عنوان ژورنال: Computers, materials & continua
سال: 2022
ISSN: ['1546-2218', '1546-2226']
DOI: https://doi.org/10.32604/cmc.2022.017682