Watch this on demand webinar where we discuss how modeling and simulation solutions from Dassault Systèmes enables in silico testing, supporting researchers to test concepts with minimum risk and lower costs, unlocking new avenues of ideas to explore.
There has been a shift in recent years from designing a structure based on the limitations of a material, to designing a material based on the structural need. Modeling and simulation methods at the molecular scale have advanced over the years for the prediction of the structure and properties of chemicals, materials such as ceramics, alloys, polymers, composites, and others. These methods provide a “Virtual Materials Lab” to accelerate materials development and guide experimental efforts.
Simulation methods allow researchers to accurately predict a range of thermal and mechanical properties such as density, coefficient of thermal expansion, adhesion, modulus and its temperature, as well as electronic properties and chemical reactivity. These methods have been applied to virtually screen materials for a variety of applications including alloys, high temperature ceramics, semiconductors, polymers, and to provide information to guide experimentation.
By connecting the length scales from the atomistic to the engineering scale, scientists and engineers will now be able to predict polymer and alloy behavior and apply multi-scale modelling methods to link chemical structure to engineering properties.
Examples of the use of computational materials science methods in predicting material properties are highlighted, and we will discuss how the application of multi-scale modeling helps guide experimentation and accelerate materials development.