Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals to a scalar-valued potential energy.Different atomistic stresses and strains are analytically derived based on the wor...Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals to a scalar-valued potential energy.Different atomistic stresses and strains are analytically derived based on the work conjugate relation.It is numerically verified with both two-body and three-body potentials that the atomistic Kirchhoff stress,first-order Piola–Kirchhoff stress and second-order Piola–Kirchhoff stress are conjugates to atomistic logarithmic strain,deformation gradient and Lagrangian strain,respectively.Virial stress at 0 K based on original volume is the special form of atomistic Kirchhoff stress for pair potential.It is numerically verified that Hencky strain is not conjugate to any stress.展开更多
文摘Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals to a scalar-valued potential energy.Different atomistic stresses and strains are analytically derived based on the work conjugate relation.It is numerically verified with both two-body and three-body potentials that the atomistic Kirchhoff stress,first-order Piola–Kirchhoff stress and second-order Piola–Kirchhoff stress are conjugates to atomistic logarithmic strain,deformation gradient and Lagrangian strain,respectively.Virial stress at 0 K based on original volume is the special form of atomistic Kirchhoff stress for pair potential.It is numerically verified that Hencky strain is not conjugate to any stress.
