Deformation of a solid usually leads to an increase in the internal potential energy U_(in) of the solid. In inelastic and plastic deformation, the increase in U_(in) is due to the formation of excited structural defects in the solid under the action of the external force (e.g., in crystals, dislocations form). The storage of U_(in) has been studied experimentally in detail for crystalline metals [1, 2], rubbers [3], and glassy organic polymers [4|. However, experimental measurements on polymer systems cannot determine the contributions of interactions of various types to the increase in U_(in). Today, computer simulation can identify such contributions [4, 5] and can suggest what types of interactions control the energy storage and influence the mechanical behavior of material [6]. In this work, we performed molecular dynamic simulation of uniaxial compressive and tensile deformation of a full-atom model of amorphous glassy polymethylene and analyzed the contributions of interactions of various types to the increase in its potential energy.
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