Polymer self-consistent field theory of the Edwards-Helfand kind is the state-of-the-art method for predicting the morphologies of block copolymer materials. The methodology of block copolymer self-consistent field theory is transported to classical density functional theory such that a wide range of self-consistent field theory tools can be applied to completely nonpolymeric materials, such as...

The local-field correction experienced by an interstitial impurity in a crystal with cubic symmetry is derived by use of a rigorous, self-consistent, semimicroscopic description of spontaneous emission in a microcavity. We compute the local-field factor for various positions of the impurity inside the crystal. Furthermore, we demonstrate that the local-field factor can be computed from a simple...

We derive the multi-field, micropolar-type continuum theory for the two-dimensional model of crystal having finitesize particles. Continuum theories are usually valid for waves with wavelength much larger than the size of primitive cell of crystal. By comparison of the dispersion relations, it is demonstrated that in contrast to the single-field continuum theory constructed in our previous pape...

We introduce a dislocation density tensor and derive its kinematic evolution law from phase field description of crystal deformations in three dimensions. The (PFC) model is used to define the lattice distortion, including topological singularities, associated configurational stresses. an exact expression for velocity line determined by evolution, show that motion PFC driven Peach-Koehler force...

Geometrical design of the spiral crystal selector can affect crystal orientation in the final single crystal structure. To achieve a better understanding of conditions associated with the onset of crystal orientation in a spiral crystal selector, temperature field was investigated using three-dimensional finite element method during the process. Different geometries of spiral crystal selec...

The electronic and magnetic properties of the hypothetical compounds of MC (M=Al, Ga and In) are investigated by using first-principle calculations and pseudopotential plane wave self-consistent field method based on density functional theory. In order to find the most stable phase of MC (M=Al, Ga and In), we study them in zinc-blende (ZB), rocksalt (RS), wurtzite and NiAs crystal structures. W...

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account lon...