Phase Diagrams by Nested Sampling

Lead Research Organisation: University of Cambridge
Department Name: Engineering

Abstract

The project will use atomistic modelling for evaluation of material characteristics relevant for additive manufacturing technology. Nested sampling will be used to evaluate the partition function and hence thermodynamic functions and the equilibrium phase diagram of a material. This information is essential for modelling of melting, crystallization and phase transformations. Multicomponent alloys will be investigated using EAM and MEAM potentials. This works falls under EPSRC research areas "Materials engineering - metals and alloys" and "Manufacturing technologies".

Publications

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Studentship Projects

Project Reference Relationship Related To Start End Student Name
EP/R511870/1 01/10/2017 30/09/2022
1971218 Studentship EP/R511870/1 05/01/2018 04/01/2022 Cas Albert Van Der Oord