Design of Functional Disordered Solids

Inverse design, which aims to form desired organised structures and function materials, is increasingly important in nanotechnology. However, the principles of inverse self-assembly of multiple-component systems, particularly disordered solids, are unveiled. Discovering the role of interactions between constituent particles in their emergent mechanics is essential to understand the self-assembly process, as well as to manipulate it to obtain functional materials. We propose a novel numerical approach, which directly connects interactions with their effect on emergent elastic properties, to study the self-assembly of disordered solids. In this project, we build and optimise objective functions regarding to desired properties with elementary parameters such as particle sizes and interacting parameters. By central on Poisson's ratio, we show how the validation of optimised parameters for ensemble and individual systems. We further show that, with multiple desired properties, including structural and mechanical properties, our approach efficiently searches the optimised parameters for certain properties.