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View article: Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization forComplex Materials Design Campaigns
Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization forComplex Materials Design Campaigns Open
The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating limited evaluation resources. We present a cost-aware, bat…
View article: Mapping of microstructure transitions during rapid alloy solidification using Bayesian-guided phase-field simulations
Mapping of microstructure transitions during rapid alloy solidification using Bayesian-guided phase-field simulations Open
View article: High-throughput alloy and process design for metal additive manufacturing
High-throughput alloy and process design for metal additive manufacturing Open
Many engineering alloys originally designed for conventional manufacturing lack considerations for additive manufacturing (AM), presenting opportunities for novel alloy designs. Evaluating alloy printability requires extensive analysis of …
View article: Physics-Informed Gaussian Process Classification for Constraint-Aware Alloy Design
Physics-Informed Gaussian Process Classification for Constraint-Aware Alloy Design Open
Alloy design can be framed as a constraint-satisfaction problem. Building on previous methodologies, we propose equipping Gaussian Process Classifiers (GPCs) with physics-informed prior mean functions to model the boundaries of feasible de…
View article: Towards Autonomous Experimentation: Bayesian Optimization over Problem Formulation Space for Accelerated Alloy Development
Towards Autonomous Experimentation: Bayesian Optimization over Problem Formulation Space for Accelerated Alloy Development Open
Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem formulat…
View article: Physics-informed Gaussian process classification for constraint-aware alloy design
Physics-informed Gaussian process classification for constraint-aware alloy design Open
Alloy design can be framed as a constraint-satisfaction problem. Building on previous methodologies, we propose equipping Gaussian Process Classifiers (GPCs) with physics-informed prior mean functions to model the centers of feasible desig…
View article: Visualizing high entropy alloy spaces: methods and best practices
Visualizing high entropy alloy spaces: methods and best practices Open
Multi-Principal Element Alloys (MPEAs) have emerged as an exciting area of research in materials science in the 2020s, owing to the vast potential for discovering alloys with unique and tailored properties enabled by the combinations of el…
View article: Performance-driven Computational Design of Multi-terminal Compositionally Graded Alloy Structures using Graphs
Performance-driven Computational Design of Multi-terminal Compositionally Graded Alloy Structures using Graphs Open
The spatial control of material placement afforded by metal additive manufacturing (AM) has enabled significant progress in the development and implementation of compositionally graded alloys (CGAs) for spatial property variation in monoli…
View article: An automated computational framework to construct printability maps for additively manufactured metal alloys
An automated computational framework to construct printability maps for additively manufactured metal alloys Open
In metal additive manufacturing (AM), processing parameters can affect the probability of macroscopic defect formation (lack-of-fusion, keyholing, balling), which can, in turn, jeopardize the final product’s integrity. A printability map c…
View article: Supply Risk-Aware Alloy Discovery and Design
Supply Risk-Aware Alloy Discovery and Design Open
Materials design is a critical driver of innovation, yet overlooking the technological, economic, and environmental risks inherent in materials and their supply chains can lead to unsustainable and risk-prone solutions. To address this, we…
View article: Visualizing High Entropy Alloy Spaces: Methods and Best Practices
Visualizing High Entropy Alloy Spaces: Methods and Best Practices Open
Multi-Principal Element Alloys (MPEAs) have emerged as an exciting area of research in materials science in the 2020s, owing to the vast potential for discovering alloys with unique and tailored properties enabled by the combinations of el…
View article: Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys
Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys Open
View article: Alloying effects on the transport properties of refractory high-entropy alloys
Alloying effects on the transport properties of refractory high-entropy alloys Open
View article: Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys
Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys Open
Additive manufacturing (AM), especially Laser Powder-Bed Fusion (L-PBF), provides alloys with unique properties, but faces printability challenges like porosity and cracks. To address these issues, a co-design strategy integrates chemistry…
View article: Supply Risk-Aware Alloy Discovery and Design
Supply Risk-Aware Alloy Discovery and Design Open
View article: Alloying Effects on the Transport Properties of Refractory High-Entropy Alloys
Alloying Effects on the Transport Properties of Refractory High-Entropy Alloys Open
View article: Visualizing High Entropy Alloy Spaces: Methods and Best Practices
Visualizing High Entropy Alloy Spaces: Methods and Best Practices Open
View article: Stacking-Fault Engineering in Refractory Metal-Reinforced Cantor-Based Multi-Principal Element Alloy
Stacking-Fault Engineering in Refractory Metal-Reinforced Cantor-Based Multi-Principal Element Alloy Open
View article: Data-Augmented Modeling for Melt Pool Dimensions in Laser Powder Bed Fusion: A Bayesian Approach
Data-Augmented Modeling for Melt Pool Dimensions in Laser Powder Bed Fusion: A Bayesian Approach Open
View article: Multi-objective Bayesian alloy design using multi-task Gaussian processes
Multi-objective Bayesian alloy design using multi-task Gaussian processes Open
View article: A ductility metric for refractory-based multi-principal-element alloys
A ductility metric for refractory-based multi-principal-element alloys Open
View article: High-throughput Alloy and Process Design for Metal Additive Manufacturing
High-throughput Alloy and Process Design for Metal Additive Manufacturing Open
Designing alloys for additive manufacturing (AM) presents significant opportunities. Still, the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are challenging to exp…
View article: An Automated Fully-Computational Framework to Construct Printability Maps for Additively Manufactured Metal Alloys
An Automated Fully-Computational Framework to Construct Printability Maps for Additively Manufactured Metal Alloys Open
In additive manufacturing, the optimal processing conditions need to be determined to fabricate porosity-free parts. For this purpose, the design space for an arbitrary alloy needs to be scoped and analyzed to identify the areas of defects…
View article: Bayesian optimization with active learning of design constraints using an entropy-based approach
Bayesian optimization with active learning of design constraints using an entropy-based approach Open
View article: High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints
High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints Open
View article: High-Throughput Alloy and Process Design for Metal Additive Manufacturing
High-Throughput Alloy and Process Design for Metal Additive Manufacturing Open
View article: Data-Augmented Modeling for Yield Strength of Refractory High Entropy Alloys: A Bayesian Approach
Data-Augmented Modeling for Yield Strength of Refractory High Entropy Alloys: A Bayesian Approach Open
View article: High-Throughput Exploration of the WMoVTaNbAl Refractory Multi-Principal Element Alloys Under Multiple-Property Constraints
High-Throughput Exploration of the WMoVTaNbAl Refractory Multi-Principal Element Alloys Under Multiple-Property Constraints Open
View article: A perspective on Bayesian methods applied to materials discovery and design
A perspective on Bayesian methods applied to materials discovery and design Open
View article: Evaluating the intrinsic resistance to balling of alloys: A High-throughput physics-informed and data-enabled approach
Evaluating the intrinsic resistance to balling of alloys: A High-throughput physics-informed and data-enabled approach Open