|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Materials Discovery and Optimization – From Bulk to Materials Interfaces and 2D Materials
||Guided Discovery in Multi-phase, Multi-component Thermodynamic Spaces as Solution to a Constraint Satisfaction Problem
||Raymundo Arroyave, Sean Gibbons, Edgar Galvan, Richard Malak
|On-Site Speaker (Planned)
When it comes to the exploration of multi-dimensional phase stability spaces, there is a large class of problems that need to be defined in terms of the satisfaction of a set of non-linear constraints. We define an "inverse phase stability problem" as one in which one needs to define the thermodynamic conditions that satisfy specific phase constitution states, as opposed to the general, forward determination of the equilibrium state of a system through Gibbs energy minimization subject to constraints. As such, the "inverse phase stability problem" is essentially a set-based design exercise, that can in turn be formulated as a constraint satisfaction problem. In this work we present a novel formulation for the exploration of multi-component systems under the constraint satisfaction framework and show how this approach can be translated into a materials design task.
||Definite: None Selected