Phase Diagrams by Nested Sampling

该项目将使用原子模型来评估与增材制造技术相关的材料特性。嵌套采样将用于评估分配函数，从而热力学函数和平衡相图的材料。这些信息对于熔化、结晶和相变的建模是必不可少的。多组分合金将使用EAM和MEAM电位进行研究。该工程福尔斯属于EPSRC的研究领域“材料工程-金属和合金”和“制造技术”。

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".