| Abstract Scope |
In this presentation, we present a multi-scale modelling approach to design boron carbide materials for improved performance in extreme conditions. Here, we are focused on understanding the influence of microstructural features (e.g., defects, secondary phases, internal disorder, cracks) on the dynamic mechanical response of the materials. Our modelling approaches utilizes Molecular Dynamics, where efforts are given to validate unit cells, potentials, stable states, and energies to improve model stability and accuracy. Once validated, mechanical responses are explored under different stress states, including elastic constants (e.g., Young’s modulus and Poisson’s ratio), peak strength, and fracture energy contributions during loading and failure. Considerations are given for how model outputs compare with experimental data and theoretical models. Once validated and responses are computed, the model is bridged with Phase field and Finite Element modelling efforts. A discussion of the results is provided in terms of materials design, and multi-scale modelling and scale bridging. |