MaterialModeller

MaterialModeller is a software framework designed to construct, calibrate, and apply material models for computational simulations. It provides tools to describe how materials respond to loads, temperatures, and other environmental factors through constitutive equations and microstructure-informed relations. The system supports multiscale workflows, linking atomic-scale properties to continuum models, and can exchange data with common simulation packages.

Typical components include model templates for common material behaviors (elastic, plastic, viscoelastic, viscoplastic, damage, fracture); data import from experiments; parameter estimation and optimization; uncertainty quantification; validation against independent datasets; scripting interfaces; and version control for models and datasets. The platform is designed to enable users to build, compare, and manage multiple material models within a single environment.

Users curate experimental data, select or tailor a constitutive model, calibrate parameters using automated fitting routines, and integrate the resulting model into finite element or finite-difference simulations. The software often supports scripting in Python, high-performance computing workflows, and plug-ins for CAD/CAE ecosystems, promoting interoperability with existing design and analysis tools.

Applications span aerospace, automotive, civil engineering, energy, and materials research, including polymers, metals, ceramics, and composites. MaterialModeller aids design optimization, life-cycle assessment, and reliability analysis by providing a structured path from data to predictive models.

Origins reflect the goals of materials informatics and computational materials science, with emphasis on reproducibility and interoperability. It may be offered as standalone software, a modular framework, or an open-source project.

See also: materials informatics, constitutive modelling, finite element analysis, multiscale modelling, surrogate modelling.