Theoretical strength of solids: recent results and applications

• Published in: Materials science (New York, N.Y.) Vol. 47; no. 5; pp. 575 - 582
• Main Author: Pokluda, J.
• Format: Journal Article
• Language: English
• Published: Boston Springer US 01-03-2012; Springer; Springer Nature B.V
• Subjects: Characterization and Evaluation of Materials; Chemistry and Materials Science; Materials Science; Solid Mechanics; Structural Materials; methods used for the evaluation of theoretical strength; deformation; crystals; large-scale models; dislocations; theoretical strength
• ISSN: 1068-820X; 1573-885X
• DOI: 10.1007/s11003-012-9430-0

We present the results of recent achievements in the field of atomistic evaluation of the theoretical (ideal) strength of solids with emphasis on the
ab initio
approaches to the synthesis of the theoretical and experimental data. It is shown that the characteristics of fracture toughness (brittleness) of polycrystals are partially inherited from their (perfect) lattices. On the other hand, the response of perfect metallic crystals to triaxial tension in terms of the ultimate strain is qualitatively different from the response typical of the engineering materials. This can be attributed to the plasticity-driven growth and coalescence of microvoids at particles of the secondary phase under triaxial tension. The values of theoretical shear strength computed by using
ab initio
and/or MD methods are close to the experimental data.