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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Bulk Metallic Glasses XIX
Presentation Title Evolutionary design of machine-learning predicted bulk metallic glasses
Author(s) Robert M. Forrest, A. Lindsay Greer
On-Site Speaker (Planned) Robert M. Forrest
Abstract Scope Glass-forming ability (GFA) remains a little-understood property. Experimental work on bulk metallic glasses (BMGs) is guided by many empirical criteria, often not of significant predictive value. This work aims to utilise machine-learning techniques both to produce predictive models for the GFA of alloy compositions, and to reveal insights useful for furthering our theoretical understanding of GFA. The produced machine-learning models simultaneously predict the liquidus temperature, glass transition temperature, crystallisation temperature, critical casting diameter, and probability of forming a BMG, for any given alloy. The incomprehensible size of composition space means even coarse grid-based searches for interesting alloys are infeasible unless constrained, requiring prior knowledge. Genetic algorithms provide a practical alternative, by rapidly homing in on fruitful regions and discarding others. Competition, recombination, and mutation are applied to a gene pool of alloy compositions, with the goal of evolving towards excellent BMG candidates as predicted by the machine-learning models.
Proceedings Inclusion? Planned:
Keywords Machine Learning, Computational Materials Science & Engineering, Modeling and Simulation

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A cavity-based micromechanical model for the shear band failure in metallic glasses under arbitrary stress state
A Molecular Dynamics Study of the Evolution of Medium-Range Ordering in Liquid Metals
Amorphization of Si in Al-Cu-Si ternary alloy system with liquid quenching process
Anelastic spectra and plasticity -- effects of relaxation and rejuvenation
Are Metallic Glasses Brittle or Ductile?
Assessment of Excess Entropy in Extremely Fragile Glasses
Atomic-scale plastic flow of platinum-based metallic glasses prepared with different fictive temperatures
Atomic cooperativity in metallic glass
Atomic motion in ultrastable metallic glasses
Atomic structure of bulk metallic glasses/liquids studied by synchrotron-radiation X-ray diffraction, scanning tunneling microscopy and ab-initio molecular dynamics simulation
Atomically Precise Replication of Surface Features with Metallic Glasses
Automated Rapid Discharge Forming of Metallic Glasses
Bulk Intrinsic Heterogeneity of Metallic Glasses Probed by Meissner Effect
Chemical and Topological Frustration in Binary Metallic Glass Formation
Cluster-based modelling for the composition analysis of eutectics and bulk metallic glasses in Cu-Zr system
Cluster connectivity in metallic glass
Composition origin and optimization of bulk metallic glass Zr55Cu30Al10Ni5
Compression experiments on metallic glass specimens of varying size differentiate between models of plasticity
Construction of TTT diagram in Pd42.5Ni7.5Cu30P20 metallic glass via FDSC
Cryogenic thermal cycling of a Pd43Cu27Ni10P20 bulk metallic glass
Crystallization of a Au-based Bulk Metallic Glass: Influence of the Initial Glassy State
Cu-Nb Metallic Glasses with High Hardness
Deciphering the nano-structural origin of ductility in bulk metallic glass (BMG)
Determining the three-dimensional atomic structure of metallic glass
Direct observation of the microstructure evolution of metallic glass under atypical conditions
Directly linking liquid and glass polymorphism in metallic alloys
Elasticity and Configurational Thermodynamics of Metallic Glass Forming Liquids
Evidence of Crystalline Phase Precursors within High-Temperature Metallic Liquids and their Effect on Glass-Forming Ability
Evolutionary design of machine-learning predicted bulk metallic glasses
Formation and properties of Ti-Zr-Nb-Hf-Si multi-principal-element glassy alloys for biomedical applications
Hall-Petch-Like Relationship in Metallic Glasses
High-resolution transmission electron microscopy study of rejuvenation in bulk metallic glasses
High metalloid containing Ti-based metallic glasses for biomedical applications
Homogeneous deformation of metallic glasses under triaxial stress state at room temperature
Influence of medium range ordering on the deformation behavior and mechanical properties of metallic glasses
Inside glass formation: The pathway of metallic liquids to vitrification monitored in situ by ultrafast high-energy synchrotron X-ray diffraction
Investigating the fundamentals of incipient spall via bulk metallic glasses with laser-driven micro-flyer experiments
Investigating the Structural Origin of the Change in Ductility of Zr-Cu-Co-Al Metallic Glasses Using 4-dimensional Scanning Transmission Electron Microscopy
Investigation of crystallization behavior according to oxidation degree by constructing TTT diagram of Mg MG using FSDC
Kinetics of structure formation in the vicinity of the glass transition studied by ultrafast calorimetry
Lab-Scale Injection Molding of Bulk Metallic Glasses
Local Self-motion and Diffusion behaviors in Metallic Liquids Studied by Van Hove Function
Long-time structural evolution of a metallic glass at elevated temperature measured by XPCS
Measuring metallic glass viscosities over wide composition ranges
Mechanisms of Strain-Hardening in Metallic Glasses
Metallic glacial glass formation by a first-order liquid-liquid transition
Metallic glass coatings suitable for various non-stick application
Microstructures and mechanical properties of non-toxic TiZr-based BMG foams with customized porosity for bio-implant application
Nanomechanical characterization of mechanically cycled bulk metallic glasses
Nature of the medium-range order distinct from the short-range order in metallic liquids
New (Fe0.5Co0.5)71.64B19.104Si4.776Nb3.98Cu0.5 bulk glassy alloy: a comprehensive time-resolved synchrotron X-ray study
Observation of the Invar effect by in-situ X-ray diffraction in Fe-based bulk metallic glasses
On the true stress-strain curve of metallic glasses
Phenomenology of viscosity and transport in a model fragile metallic glass
Pressure Effects in Zr-based Super-Cooled Liquids
Property studies on atomically smooth nanoimprinted metallic glasses
Recent investigations of BMG type thin film nanoglasses
Reentrant glass transition in Pd-based metallic glass
Relative Contributions of Local Structural State, Elastic Perturbation, and Heat Generation to Plasticity in Metallic Glass
Relaxation dynamics in glass forming alloys: microscopic nature, timescales and aging effects
Shear Band Interactions in Bulk Metallic Glass Composites
Shear bands in metallic glasses: local structure, atomic mobility and relaxation kinetics
Shear fracture in bulk metallic glass composites
SIZE-DEPENDENT FREEZING KINETICS OF BULK METALLIC GLASSES
Small-scale Deformation Behavior of Metallic Glasses and their Composites
Statistical Analysis on Single Versus Successive Pop-ins in Nanoindentation Tests of Zr-based Bulk Metallic Glass
Steady-state serrated flow induced by rejuvenation gradient in Zr-based bulk metallic glass
Strain-dependent shear-band structure in a metallic glass
Strength-controlled fracture of metallic glass at the micrometer scale
Strength, Ductility and Elasticity of Metallic Glass Nanoparticles and Bulk Nano-Glasses
Structural Influences on Glass Forming Ability in Mg-Ni-Y
Structural Origin of Ultrastable Metallic Glasses
Structural studies of phase transformations and transient states in metallic glasses and liquids
STZ-vortex unit – the key to understand and control shear banding in metallic glasses
Surface Mobility of Metallic Glass Thin Films Controls Glass Phase Stability and Crystallization
Synchrotron X-ray diffraction of metallic glass rejuvenated under triaxial compression
Systematic identification of local shear events during the plastic deformation of colloidal glasses
Tailored metallic glass composites enabled by additive manufacturing
Tailoring glass characteristics via deliberate control of icosahedral ordering in quasi-glass forming alloys
Tailoring structure and properties of bulk metallic glass through a laser-process and thermomechanical process
Tension-compression asymmetry in amorphous materials
The Mechanical Properties of Al-Tb Nanocrystalline Marginal Metallic Glass Composite
The Secondary Glass Phase in High Fragility PtCuP Bulk Metallic Glass
Towards Qualifying Bulk Metallic Glasses for Spacecraft Components
Tuning correlative heterogeneity and related properties in Ni-Nb-TM (TM=Zr, Y, Gd) metallic glasses
Unveiling the Local Atomic Arrangements and Short-Circuit Diffusion in Shear Bands
Using Delaunay triangularization to characterize non-affine displacement fields during athermal, quasistatic deformation of amorphous solids
X-Ray techniques to study the interplay of short- and long-range structural ordering in Zr and Pd bulk metallic glasses

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