Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials
Guofeng Wang, Alejandro Strachan, Tahir Çağın, William A. Goddard III
2003Phys. Rev. B, 67(14), Art. No. 140101(R)37cited
Abstract
We use a family of embedded atom model potentials all based on accurate quantum-mechanical calculations to study the relation between Peierls stress and core properties of the 1/2a‹111› screw dislocation in bcc tantalum (Ta). We find that the Peierls stress (σP) is a function of the core-polarization curvature (II) near the equilibrium core configuration. Our results suggest that the computationally available quantity II is a useful criterion for designing high-performance materials.
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Wang, G., Strachan, A., Çağın, T., & III, W. A. G. (2003). Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials. *Phys. Rev. B*, *67*(14), Art. No. 140101(R). https://doi.org/10.1103/PhysRevB.67.140101