Abstract—
Bulk defects in crystals downgrade performance properties of structural materials. Therefore, the problem of reducing the number of discontinuities in solid bodies is one of the most important aspects in modern material science. In this work, the results of computer simulation are presented that showcase the possibility of cavity collapse in a crystal in the state of shear deformation under the influence of shock waves. Similar waves are generated in a solid body exposed to external high-intensity influences. For example, in the displacement cascade propagation zone, there are regions with a mismatch between the thermalization times of atomic vibrations and the removal of heat from them. As a result of the expansion of this region, a shock after cascade wave is generated. The simulation was carried out by the molecular dynamics method using the potential calculated by the embedded atom method. Extended cylindrical cavities, which can be formed after the passing of high-energy ions through a crystal, or, for example, when superheated closed fluid inclusions (mother liquor) reach the surface, are considered as bulk defects. The study has shown that such defects are the source of heterogeneous nucleation of dislocation loops, contributing to a reduction in the shear stresses in the modeled structure. Dependences of the average dislocation density on the shear angle and temperature of the design cell were established, and the loop growth rate was estimated. The generated shock waves create additional tangential stresses that contribute to the formation of dislocation loops; therefore, in this case, dislocations are observed even at small shear strains. If the thermal effect increases during the modeling, the cavity collapses.
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Markidonov, A.V., Starostenkov, M.D., Lubyanoi, D.A. et al. Modeling of Healing Cylindrical Cavities Exposed to Shock Waves in Crystal Subjected to Shear Deformation. Steel Transl. 52, 208–214 (2022). https://doi.org/10.3103/S0967091222020127
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DOI: https://doi.org/10.3103/S0967091222020127