The theoretical strength of fcc crystals under multiaxial loading

Atomistic modeling of a special triaxial loading of six perfect fcc crystals is performed by means of pseudopotential density functional method. The triaxial stress state is simulated as a superposition of axial pressure and transverse biaxial stresses. The transverse stresses are treated as adjustable parameters and their influence on the theoretical compressive strength is evaluated for the 〈1 0 0〉 and the 〈1 1 1〉 crystallographic orientations of the loading axis. The obtained results revealed that the compressive strengths are increasing linear functions of the transverse compressive stresses. On the other hand, the tensile transverse stresses lower the compressive strength. This implies that the compressive strengths of individual crystals approach a zero value when some critical (characteristic) levels of tensile biaxial stresses are reached. These stresses are then considered to be the theoretical tensile biaxial strengths.

► We present ab initio study of fcc crystals under axial and transverse stresses. ► Compressive strength in [1 1 1] direction is greater than that in [1 0 0] one. ► The strengths in both directions are linear functions of the transverse stresses. ► Tensile transverse stresses lower the compressive strengths.