National Physical Laboratory

Modelling

Materials Modelling

Although most materials properties can be determined by experimental procedures, computer modelling is growing in importance as a second route by which advanced materials can be "tested" and the properties of existing materials discovered. Used hand-in-hand with traditional techniques, modelling can determine properties which simply cannot be measured directly. It can also reduce overall costs of material and product development - modelling of the possible materials for a particular application can eliminate unpromising options and allow engineers to focus their real-world experiments and tests on a smaller set of candidates.

At NPL we are exploring a number of advanced modelling techniques: At one end of the scale molecular dynamics and materials chemistry promise an insight into fundamental material properties, and at the other finite element analysis, laminate damage modelling and mass transfer modelling allows us to look at the behaviour of entire systems. In between we are working on small scale systems such as the behaviour of parts in microfluidic machines and atomic force microscopes. We also develop visualisation methods to ensure that the models can be used by non-scientific staff.

Finally, across all scales we are interested in ensuring that our models - and those of others - accurately represent the physical systems they are modelling.

For more information: Nick McCormick

Materials Modelling research

Materials Modelling products & services

  • NPL's Composite Design Analysis (CoDA) software is used in aerospace, automotive and construction industries to assist with the preliminary design of material synthesis.
  • NPL has developed this software tool to model the transient heat or mass transfer through multi-layered and multi-material systems.
  • NPL has developed the software PREDICT, which is an additional module to CoDA. The system uses fibre and matrix properties, or ply properties, to predict the loading conditions for which ply cracks may form and grow across the laminate.
  • MTDATA is the software tool from NPL for the calculation of phase equilibria and thermodynamic properties in multicomponent multiphase systems.