TL;DR: In this article, the authors proposed an approach related to the theory of completely coupled growth to estimate the concave-convex interface shape for oriented eutectic growth.
Abstract: Calculation of interface shape for oriented eutectic growth has been proposed for regular structure formation. The constant interface curvature has been applied in the analysis. The obtained function contains some physical factors which affects the formation of concave-convex interface. The proposed approach has been related to the theory of completely coupled growth.
TL;DR: In this article, a Python-based Corvus workflow is presented for simulations of full spectrum optical constants from the UV-VIS to hard x-ray wavelengths based on the real-space Green's function code FEFF10 and structural data from the Materials Project (MP).
Abstract: Optical constants characterize the interaction of materials with light and are important properties in material design. Here we present a Python-based Corvus workflow for simulations of full spectrum optical constants from the UV-VIS to hard x-ray wavelengths based on the real-space Green's function code FEFF10 and structural data from the Materials Project (MP). The Corvus workflow manager and its associated tools provide an interface to FEFF10 and the MP database. The workflow parallelizes the FEFF computations of optical constants over all absorption edges for each material in the MP database specified by a unique MP-ID. The workflow tools determine the distribution of computational resources needed for that case. Similarly, the optical constants for selected sets of materials can be computed in a single-shot. To illustrate the approach, we present results for nearly all elemental solids in the periodic table, as well as a sample compound, and compared with experimental results. As in x-ray absorption spectra, these results are interpreted in terms of an atomic-like background and fine-structure contributions.