Anisotropic Continuum-Molecular Models: A Unified Framework Based on Pair Potentials for Elasticity, Fracture and Diffusion-Type Problems

This paper presents a unified framework for continuum-molecular modeling of anisotropic elasticity, fracture and diffusion-based problems within a generalized two-dimensional peridynamic theory. A variational procedure is proposed to derive the governing equations of the model, that postulates oriented material points interacting through pair potentials from which pairwise generalized actions are computed as energy conjugates to properly defined pairwise measures of primary field variables. While mass is considered as continuous function of volume, we define constitutive laws for long-range interactions such that the overall anisotropic behavior of the material is the result of the assigned elastic, conductive and failure micro-interaction properties. The non-central force assumption in elasticity, together with the definition of specific orientation-dependent micromoduli functions respecting material symmetries, allow to obtain a fully anisotropic non-local continuum using a purely pairwise description of deformation and constitutive properties. A general and consistent micro-macro moduli correspondence principle is also established, based on the formal analogy with the classic elastic and conductivity tensors. The main concepts presented in this work can be used for further developments of anisotropic continuum-molecular formulations to include other mechanical behaviors and coupled phenomena involving different physics.