Prostá předpověď teoretické pevnosti kubických krystalů v tahu na základě výpočtů teoretické pevnosti ve smyku

A Simple Prediction of the Theoretical Tensile Strength of Cubic Crystals based on the Shear Strength Calculations

conference paper

en

This work presents a simple way how to estimate the uniaxial tensile strength on the basis of the theoretical shear strength calculations taking its dependence on superimposed normal stress into account. The atomistic simulations of the shear and tensile deformations in cubic crystals are performed using first principles computational code based on pseudo-potentials and plane wave basis set. Six fcc crystals are subjected to shear deformations in convenient slip systems and a special relaxation procedure controls the stress tensor. Obtained dependence of the ideal shear strength on normal tensile stress seems to be almost linearly decreasing for all investigated crystals. Taking these results into account, the uniaxial tensile strength values in 110 and 111 directions were evaluated for selected fcc crystals.

This work presents a simple way how to estimate the uniaxial tensile strength on the basis of the theoretical shear strength calculations taking its dependence on superimposed normal stress into account. The atomistic simulations of the shear and tensile deformations in cubic crystals are performed using first principles computational code based on pseudo-potentials and plane wave basis set. Six fcc crystals are subjected to shear deformations in convenient slip systems and a special relaxation procedure controls the stress tensor. Obtained dependence of the ideal shear strength on normal tensile stress seems to be almost linearly decreasing for all investigated crystals. Taking these results into account, the uniaxial tensile strength values in 110 and 111 directions were evaluated for selected fcc crystals.

This work presents a simple way how to estimate the uniaxial tensile strength on the basis of the theoretical shear strength calculations taking its dependence on superimposed normal stress into account. The atomistic simulations of the shear and tensile deformations in cubic crystals are performed using first principles computational code based on pseudo-potentials and plane wave basis set. Six fcc crystals are subjected to shear deformations in convenient slip systems and a special relaxation procedure controls the stress tensor. Obtained dependence of the ideal shear strength on normal tensile stress seems to be almost linearly decreasing for all investigated crystals. Taking these results into account, the uniaxial tensile strength values in 110 and 111 directions were evaluated for selected fcc crystals.

teoretická pevnost ve smyku, superponované normálové napětí, teoretická pevnost v tahu, ab initio výpočty

theoretical shear strength, superimposed normal stress, theoretical tensile strength, ab initio calculations

2008

01.09.2008

VUTIUM

Brno

9781617823190

Proceedings of 17th European Conference on Fracture: Multilevel Approach to Fracture of Materials, Components and Structures

199–204

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