Microscopic discussions of macroscopic balance equations for solids based on atomic configurations (Q1590300)

Microscopic expressions for macroscopic variables and macroscopic balance equations of a micropolar solid are derived. The concept of mesodomain is introduced to relate microscopic quantities of atoms to macroscopic quantities of continua. The resulting balance equations are compared to the conventional equations for a generalized Cosserat continuum. The solid is modeled as an assembly of atoms with potential forces and microscopic equations of motion. The microscopic expressions of macroscopic variables and microscopic balance equations are derived from the microscopic level. The concept of mesodomain is introduced to relate microscopic properties of the atomic level to macroscopic properties of the continuum. The mesodomain is regarded macroscopically as an infinitesimal volume element, though it has a finite volume and includes a large number of atoms. Geometrical and mechanical quantities of atoms are averaged over the mesodomain, and the average values are associated with the center of mass of the mesodomain. The microscopic expressions of stress and higher-order stresss are derived on the basis of equations of motion of atoms. Since rotations and deformations of the mesodomain are taken into account in the theory the balance equations of micromorphic continua are derived. Also the inertial spin is expressed as a volume average of microscopic quantities. Internal energy is the sum of the interatomic potential energy and kinetic energies of the atoms in the mesodomain. From the microscopic description it is shown that the mechanical powers of the higher order stresses have the same expressions as the divergence of the heat flux, and the power of inertial spin has the same form as the rate of internal energy for simple materials. Finally, computer simulations are carried out and the resulting positions and velocities of atoms are inserted into the microscopic expressions. The resulting stress and higher order stress is compared to Eringen-theory of micropolar media with good agreement.