project

Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution


Provided by   Curtin University

Research Project

Researchers: Julian Gale (Managed by) ,  Paolo Raiteri (isRelatedTo)

Brief description Nature is able to demonstrate remarkable control over the assembly of molecules to form highly specific chemical structures. Selection of the ultimate structural form is often already decided while the material is still at the nanoscale, though details of how the choice occurs are limited. This proposal seeks to advance the latest computer simulation methods in order to understand the complex structures of these nanoparticles, and resolve the apparent contradiction of how they can be disordered, yet at the same time different, while containing nascent information as to the chemical form they will ultimately take. Through this, scientists will be better able to mimic natural selectivity and thereby design technological materials.

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