Деформация кристаллических структур для упругого анализа

★ 7.5 · general

structure-strain is a Claude Code skill that applies mechanical strain to periodic crystal structures via the catgo_build_strain tool (REST endpoint /build/strain). Four deformation modes are supported: uniaxial along the a, b, or c axis; biaxial in the ab-plane; hydrostatic (uniform); and shear (off-diagonal) — each configurable by magnitude (as a fraction, e.g. 0.02 = 2%) and number of steps. Setting n_steps > 1 generates a symmetric series of strained structures, which is essential for elastic constant fitting from stress-strain curves. The skill covers a complete workflow: structure relaxation with cell_opt, strain application, stress tensor evaluation, and elastic tensor fitting via the elastic_analysis node. It is suited for computing elastic constants, strain engineering of electronic structure and catalytic activity, modeling epitaxial thin films and heterostructures, and testing phase stability under mechanical loading.