A single crystal plasticity theory for insertion into finite element simulation is formulated using sequential laminates to model subgrain dislocation structures. It is known that local models do not adequately account for latent hardening, as latent hardening is not only a material property, but a nonlocal property (e.g. grain size and shape). The addition of the nonlocal energy from the forma...

A nonlocal diffuse interface model is explored using the "lubrication approximation" applicable to thin films. We show the inconsistency of the expansion leading to a nonlinear diffusion model, and solve an untruncated integro-differential mean field equation to compute the equilibrium density profile across the fluid-vapor interface. The disjoining potential and effect of interfacial curvature...

The classical theory of electrokinetic phenomena is based on the mean-field approximation that the electric field acting on an individual ion is self-consistently determined by the local mean charge density. This paper considers situations, such as concentrated electrolytes, multivalent electrolytes, or solvent-free ionic liquids, where the mean-field approximation breaks down. A fourth-order m...

We calculate the electronic structure of several atoms and small molecules by direct minimization of the self-interaction-corrected–local-density-approximation ~SIC-LDA! functional. To do this, we first derive an expression for the gradient of this functional under the constraint that the orbitals be orthogonal and then show that previously given expressions do not correctly incorporate this co...