CORDIS Project
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This project aims to create atomic scale models for complex multi-component alloys. By developing new interatomic potentials and simulation algorithms, it seeks to enhance understanding of the thermodynamic and mechanical properties of these materials.
The main goal of this proposal is to systematically develop atomic scale models of concentrated multi-component alloys.
To this end, we will derive empirical interatomic potentials for W and Ti-based alloys and carry out simulations of thermodynamic, kinetic and mechanical properties.
In this fashion, we aim to provide a pathway to an improved atomic scale understanding of these materials.
The unique features of the present proposal are a novel approach to modeling the chemistry of multi-compone…
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