Materials Modelling

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Monthly Archives: May 2018

Impacts of Materials Modelling Webinar

What is materials modelling good for?
This webinar examines the impact materials modelling makes, both on a macro-economic and organisational level. In particular, the wide range of impact types and mechanisms will be discussed, based on evidence from surveys and interviews with users. It will be argued that a much wider potential remit for modelling should be considered than is commonly done.

In the light of these impact mechanisms, ways of measuring and increasing impact are discussed. Setting and assessing impact levels is shown to be important, and in this context a maturity model will be introduced. Higher levels of maturity are associated with integration and optimisation and set the scene for modelling as a key factor impacting on digitalisation.

CEN Standard on Materials modelling – terminology, classification and metadata

The CEN (European Committee for Standardization) Workshop Agreement CWA 17284 “Materials modelling – terminology, classification and metadata”  described in an earlier post has been published. Here is the Abstract:

This CWA includes definitions of fundamental terms for the field of materials modelling and simulation. Computational materials models in this CWA are understood to be physics-based models. This CWA does not include data-based models. The definitions enable a classification of materials models. Using the entity and physics equation concepts, leads to a relatively small number of distinct materials models replacing the current situation of opacity of materials models and simulations that make the field hard to access for outsiders. This CWA also provides a systematic description and documentation of simulations including the user case, model, solver and post-processor: the “materials MOdelling DAta” (MODA). This document seeks to organize the information so that even complex simulation workflows can be conveyed more easily and key data about the models, solvers and post-processors and their implementation can be captured. A template MODA for physics-based models is described in order to guide users towards a complete documentation of material and process simulations. The CWA is based on the Review of Materials Modelling (RoMM). A MODA for data-based models can be found in the RoMM.

This document provides the basis for moving the materials modelling field up the semantic spectrum, laying the foundation for knowledge organisation achieved in many other fields (see e.g. the Osthus presentation “From Big Data to Big Analysis” given at the EMMC Workshop on Interoperability in Materials Modelling). It lays the foundation for developing and ontology of materials modelling, enabling interoperability, reasoning and knowledge extraction in the materials science domain.