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Current state and historical evolution of theoretical strength calculations is presented as a brief overview completed by a database of selected theoretical and experimental results. Principles of a sophisticated analysis of mechanical stability of crystals are elucidated by means of a schematic example. Stability conditions and Jacobian matrixes are presented for selected crystalline symmetries and deformation paths. The importance of this analysis for understanding micromechanics of fracture is shown against the background of the influence of crystal defects. Differences between theoretical and experimental theoretical strength (TS) values are discussed and some challenging tasks are outlined for the near future.

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A simulation of a tensile test of copper crystal along the [001] direction is performed using the Vienna ab initio simulation package (VASP). Stability conditions for a uniaxially loaded system are presented and analysed and the ideal (theoretical) tensile strength for the loading along the [001] direction is determined to be 9.4 GPa in tension and 3.5 GPa in compression. A comparison with experimental values is performed.

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