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Dislocations in cubic crystals described by discrete models

Author

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  • Bonilla, L.L.
  • Carpio, A.
  • Plans, I.

Abstract

Discrete models of dislocations in cubic crystal lattices having one or two atoms per unit cell are proposed. These models have the standard linear anisotropic elasticity as their continuum limit and their main ingredients are the elastic stiffness constants of the material and a dimensionless periodic function that restores the translation invariance of the crystal and influences the dislocation size. For these models, conservative and damped equations of motion are proposed. In the latter case, the entropy production and thermodynamic forces are calculated and fluctuation terms obeying the fluctuation-dissipation theorem are added. Numerical simulations illustrate static perfect screw and 60∘ dislocations for GaAs and Si.

Suggested Citation

  • Bonilla, L.L. & Carpio, A. & Plans, I., 2007. "Dislocations in cubic crystals described by discrete models," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 376(C), pages 361-377.
    • Handle: RePEc:eee:phsmap:v:376:y:2007:i:c:p:361-377
    DOI: 10.1016/j.physa.2006.10.082
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    References listed on IDEAS

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    1. van Saarloos, W. & Bedeaux, D. & Mazur, P., 1982. "Non-linear hydrodynamic fluctuations around equilibrium," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 110(1), pages 147-170.
    2. Bedeaux, D. & Mazur, P. & van Saarloos, W., 1982. "Non-linear hydrodynamic fluctuations around equilibrium," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 112(3), pages 514-516.
    3. Gomila, G. & Rubı́, J.M., 1998. "Fluctuations generated at semiconductor interfaces," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 258(1), pages 17-31.
    4. Bedeaux, D. & Albano, A.M. & Mazur, P., 1975. "Boundary conditions and non-equilibrium thermodynamics," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 82(3), pages 438-462.
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