journal article·2017-11-17Open access

The representation of coupling interactions in the Material Properties Open Database (MPOD)

Luis E. Fuentes-Cobas, Daniel Chateigner, María E. Fuentes-Montero, Giancarlo Pepponi, Saulius Grazulis

Advances in Applied Ceramics· Volume 116· Issue 8

Abstract

The Material Properties Open Database (MPOD, http://mpod.cimav.edu.mx) is a functional element of the web-based open databases system linked with crystallography. MPOD delivers single-crystal tensor properties in several representations, ranging from numerical matrices to 3D printing. Longitudinal moduli surfaces can be displayed in computers as well as in smart cell phones. Properties are stored as ‘.mpod’ files. IUCr formatting standards (CIF) are followed. The original published paper containing the data is cited. Structural and experimental information is also registered and linked. ‘Coupling properties’, say piezo-effects and magnetoelectricity, represent interactions linking different subsystems in a material. Currently, piezoelectricity occupies a significant fraction of cases in MPOD. The implications of crystal symmetry in piezoelectricity are systematically taken into account. Matrices’ elements and longitudinal moduli surfaces are checked for consistency with the Neumann principle. The inclusion of magnetoelectric axial tensors introduces exciting features into MPOD.
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Research context

OpenAlex topics: Machine Learning in Materials Science · X-ray Diffraction in Crystallography · Metallurgical Processes and Thermodynamics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Centro de Investigación en Materiales Avanzados (CIMAV), Chihuahua, México

CRISMAT-ENSICAEN, CNRS UMR 6508, Normandie Université, IUT Caen, Université de Caen Normandie, Caen, France

Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Circuito Universitario, Chihuahua, México

MiNALab, CMM-irst, Fondazione Bruno Kessler, Trento, Italy

Department of Mathematical Computer Science, Faculty of Mathematics and Informatics, Vilnius University, Vilnius, Lithuania

Funding

Consejo Nacional de Ciencia y Tecnología · European Union's Horizon 2020 research and innovation program

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