30–31 Oct 2025
IT4Innovations
Europe/Prague timezone

ElaStr: An Online Tool Linking Elastic Properties and Crystal Structures

30 Oct 2025, 18:53
1m
atrium (IT4Innovations)

atrium

IT4Innovations

Studentská 6231/1B 708 00 Ostrava-Poruba
Poster Materials Science (e.g. Computational/Theoretical/Physical Chemistry, Soft Matter, Polymer Research) Conference Dinner and Poster Session

Speaker

Martin Zelený (Faculty of Mechanical Engineering, Brno University of Technology)

Description

Many existing tools analyze anisotropic elastic properties using the elastic stiffness tensor, but they often overlook the direct relationship between crystal structure and elastic behavior. Most operate in Cartesian coordinates, which work well for high-symmetry lattices but are less intuitive for lower-symmetry systems where crystallographic directions and planes—defined by Miller indices—are more suitable. For example, in tetragonal structures, the [101] direction is not perpendicular to the (101) plane, and the deviation depends on the c/a ratio.

ElaStr is a user-friendly online platform that bridges this gap by combining elastic stiffness tensor data with crystal structure information. It supports input from both computational and experimental sources. Users can provide an elastic tensor together with lattice vectors or a standard structure file, and ElaStr will compute elastic properties along chosen crystallographic directions or normal to selected planes. The tool evaluates properties such as Young’s modulus, linear compressibility, shear moduli, and Poisson’s ratios.

When a selected direction lies within a given plane, ElaStr also determines shear modulus and Poisson’s ratio for that specific combination. Beyond single-direction analysis, the platform can map these properties for all directions within a plane, providing intuitive polar plots as well as crystal-structure visualizations. For this purpose, ElaStr generates structure files that can be directly opened in the VESTA program, allowing users to explore elasticity in the context of the atomic arrangement.

ElaStr is freely available online at: https://elastr.fme.vutbr.cz, with all analyses performed through a simple web interface. It is designed to support both teaching and research by making complex elasticity–structure relationships more transparent and accessible.

Primary author

Martin Zelený (Faculty of Mechanical Engineering, Brno University of Technology)

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