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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Computational Materials Discovery and Optimization
Presentation Title Tailoring Properties in Multi-component Alloys through Heuristic Optimization
Author(s) Aayush Sharma, Rahul Singh, Ganesh Balasubramanian
On-Site Speaker (Planned) Aayush Sharma
Abstract Scope Multi-component alloys have recently shown tremendous applications as they inherit superior strength and hardness, resistance to wear, fatigue and corrosion. The structure-composition relationship in these materials is often complex and greatly influences its mechanical and electrical/thermal properties. Conventional design strategy employing experimental and analytical/computational resources, for these materials are often limited in designing tailored alloy compositions. We employ an adaptive cuckoo search optimization algorithm along side deterministic molecular dynamics simulation to explore design of multi-component alloys for multi-functional capabilities. Our design strategy has the potential to predict specific individual elemental compositions that tailors different desired properties in such alloy systems. Heuristic optimization techniques have proven to be effective when design space is multi-modal. Our previous investigation for AlxCoCrFeNi alloy system has successfully predicted desired concentrations for strength elevation. We aim to extend the framework to develop a parameter free optimization framework for exploring complex alloy systems with multi-functional capabilities.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Combined Experimental-computational Approach to Determining Nanoscale Structures
A Materials-informatics Approach for Finding New Hard-magnetic Phases
Computational Design of Fatigue-resistant NiTi-based Shape Memory Alloys
Computational Screening of Novel Two-dimensional Topological Insulators and Layer-dependent properties
Data-driven Discovery of Photocathodes for CO2 Reduction
Design Concepts of Optimized MRI Magnet by COMSOL Multiphysics Simulation
Determination of Thermal Transport in Solids and Liquids by Non-equilibrium Molecular Dynamics Simulations
Dual Band Metamaterial Perfect Absorber Based on Mie Resonances
Economic Analysis of National Needs for Technology Infrastructure to Support the Materials Genome Initiative
Fabricating Optimized Crystallographic Textures through Heterogeneous Templated Grain Growth
First-principles Calculations on the Multiferroic Properties of Two-dimensional Oxides
First Principle Prediction of Magnetic Topological Phase in Thin Films of Bi2XY4 (X = Mn, Cr; Y = Se, Te)
High-throughput Investigation of the Electronic Properties of 2D and Bulk Materials in the MaterialsWeb Database
Holistic Computational Structure Screening of More than 12 000 Candidates for Solid Lithium-ion Conductor Materials
Improving the Ductility of Boron Carbide from Computational Design
Learning Grain Boundary Properties from Macroscopic and Microscopic Structural Descriptors
Light-metal Complex Hydrides: Computational Structure Prediction and Interaction with Functionalized Nanoporous Hosts
Machine Learning for Materials
Machine Learning for Prediction of Electronic Structures of Multi-component Alloys
Minimal Addition of Cerium for Stability of Critical Phases in Hard Magnetic AlNiCo Alloys: Combined Machine Learning and CALPHAD
Predicting Ferroelectric Properties from Microstructures with Deep Learning
Quantum-accurate Force Fields from Machine Learning of Large Materials Data
Reentrant Melting of Sodium, Magnesium and Aluminum and Possible Universal Trend
Search for Rare-Earth Free Permanent Magnets in Fe and Co Based Compounds by Adaptive Genetic Algorithm
Software Tools for High-throughput Materials Data Generation and Data Mining
Structure-property Linkages for Porous Membranes Using the Materials Knowledge Systems Framework
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The Use of Cluster Expansions to Predict the Structure and Properties of Catalysts

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