THEORETICAL STUDY OF THE EFFECT OF TEMPERATURE AND DEFECTS ON THE ELASTICITY OF A DIAMOND DEFORMED BY STRETCHING

In this work, the diagram of diamond deformation under tension oriented in the direction [111] in the temperature range from 1 to 1700 K is studied in the framework of classical molecular dynamics. The ideal diamond structure is considered, as well as a structure containing a relatively high concentration of defects. To study the elasticity of structures obtained at different temperatures during stretching, anisotropic modeling was performed at atmospheric pressure and the values of deformation and density of the structure over time were calculated. The elasticity of both structures is shown in a wide range of strain values characteristic of each temperature value. It is also shown that a diamond can achieve a plastic state in a narrow range of tensile strength before complete destruction at high temperatures.

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