Discrete crystal elasticity and discrete dislocations in crystals (Q2571081)

The paper develops a discrete mechanics of crystal elasticity and dislocations in crystals on the base of suitable adaptations to crystal lattices of elements of algebraic topology and differential calculus such as chain complexes and homology groups, differential forms and operators, and a theory of integration of forms. First, the authors describe a number of commonly encountered lattices, including BCC and FCC ones. Then, the authors develop a lattice analog of de Rham complex in \(\mathbb{R}^n\), extending to lattice the notions of forms and differential operators and also the theory of integration of forms and currents. This extension results in material definitions of boundaries and generalizations of Stokes theorem, Hodge decomposition theorem, Gauss linking number and other classical results. The framework is ideally suited for the development of a mechanics of lattices with and without defects, which are formulated in the next part. The essential structure of that mechanics follows from material-frame indifference (i. e. the invariance of the energy of crystal lattice under translations and rotations) possibly combined with additional assumptions of locality. It is shown that material-frame indifference results in a natural discrete version of Cauchy-Green deformation tensor field, and upon linearization, of the small-strain tensor field. For harmonic lattices the theory precisely identifies the form of stress-strain relations. Then, the authors introduce the notion of discrete dislocation by means of the standard eigendeformation device. Uniform eigendeformations represent lattice-invariant that cost no energy. While, non-uniform eigendeformations are not gradients of a displacement field, they introduce dislocations into the lattice. The theory also provides discrete versions of fundamental relations, namely: Kroner's formula, the conservation of Burgers vector, and others. Additionally, the authors formulate conditions for the existence of equilibrium displacement fields.