48 research outputs found
Multi-Information Source Fusion and Optimization to Realize ICME: Application to Dual Phase Materials
Integrated Computational Materials Engineering (ICME) calls for the
integration of computational tools into the materials and parts development
cycle, while the Materials Genome Initiative (MGI) calls for the acceleration
of the materials development cycle through the combination of experiments,
simulation, and data. As they stand, both ICME and MGI do not prescribe how to
achieve the necessary tool integration or how to efficiently exploit the
computational tools, in combination with experiments, to accelerate the
development of new materials and materials systems. This paper addresses the
first issue by putting forward a framework for the fusion of information that
exploits correlations among sources/models and between the sources and `ground
truth'. The second issue is addressed through a multi-information source
optimization framework that identifies, given current knowledge, the next best
information source to query and where in the input space to query it via a
novel value-gradient policy. The querying decision takes into account the
ability to learn correlations between information sources, the resource cost of
querying an information source, and what a query is expected to provide in
terms of improvement over the current state. The framework is demonstrated on
the optimization of a dual-phase steel to maximize its strength-normalized
strain hardening rate. The ground truth is represented by a
microstructure-based finite element model while three low fidelity information
sources---i.e. reduced order models---based on different homogenization
assumptions---isostrain, isostress and isowork---are used to efficiently and
optimally query the materials design space.Comment: 19 pages, 11 figures, 5 table
Exploration of the High Entropy Alloy Space as a Constraint Satisfaction Problem
High Entropy Alloys (HEAs), Multi-principal Component Alloys (MCA), or
Compositionally Complex Alloys (CCAs) are alloys that contain multiple
principal alloying elements. While many HEAs have been shown to have unique
properties, their discovery has been largely done through costly and
time-consuming trial-and-error approaches, with only an infinitesimally small
fraction of the entire possible composition space having been explored. In this
work, the exploration of the HEA composition space is framed as a Continuous
Constraint Satisfaction Problem (CCSP) and solved using a novel Constraint
Satisfaction Algorithm (CSA) for the rapid and robust exploration of alloy
thermodynamic spaces. The algorithm is used to discover regions in the HEA
Composition-Temperature space that satisfy desired phase constitution
requirements. The algorithm is demonstrated against a new (TCHEA1) CALPHAD HEA
thermodynamic database. The database is first validated by comparing phase
stability predictions against experiments and then the CSA is deployed and
tested against design tasks consisting of identifying not only single phase
solid solution regions in ternary, quaternary and quinary composition spaces
but also the identification of regions that are likely to yield
precipitation-strengthened HEAs.Comment: 14 pages, 13 figure