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Information × Registration Number 0224U032175, 0123U103658 , R & D reports Title Mechanical properties and elastic parameters of the two-dimensional double transition metal carbides (MXenes) popup.stage_title Head Borysiuk Vadym M., Доктор фізико-математичних наук Registration Date 06-08-2024 Organization Borysiuk Vadym M. popup.description2  A computer model based on the methods of classical molecular dynamics for modeling the behavior of two-dimensional double transition metals carbides (MXenes), where the transition metals are molybdenum and titanium was developed. To simulate the behavior of the specified samples under various types of mechanical load, appropriate software for parallel calculations on a graphics processor was created. Modeling of the behavior of the studied samples under the external mechanical load was performed. From the obtained data, the mechanical parameters of the samples, such as bending rigidity, effective spring constant, and effective modulus of elasticity, were calculated. A computer model of the contact of an absolutely rigid pyramidal nanoasperity with the surface of the corresponding bulk precursors of MXenes was also developed. The indentation of the specified material was simulated at different parameters of the experiment, and the possibility of its mechanical exfoliation was analyzed. Atomistic configurations of the studied samples were built and their fracture dynamics were analyzed. The parameters obtained from the calculations were compared with the corresponding experimental and theoretical data available in the literature for other two-dimensional materials. Product Description popup.authors popup.nrat_date 2024-08-06 Close