170 citations · 320 across the 22 of their papers we have counts for
15 papers · 1 filter
From MLIPs to Microstructure: A High-Throughput Computational Framework to Design Spinodal Alloys in High-Dimensional Composition Spaces via Analytic Derivatives of CALPHAD Model Predictions
Courtney Kunselman, Doguhan Sariturk, Siya Zhu +2
Identifying regions of design space subject to spinodal decomposition is a critical component of alloy design in high-dimensional composition spaces. In cases where designers are s…
A BRAVE Alloy Design Campaign (Bayesian Risk-aware Alloy discoVery and Exploration)
Mrinalini Mulukutla, Danial Khatamsaz, Trevor Hastings +23
In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure…
Materials Acceleration Platform for Electrochemistry: a Platform for Autonomous Electrochemistry
Daniel Persaud, Mike Werezak, Mark Xu +9
Corrosion testing is slow, labor-intensive, and sensitive to operator technique, limiting the generation of large, high-quality datasets for data-driven materials discovery. The Ma…
Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization for Complex Materials Design Campaigns
Sk Md Ahnaf Akif Alvi, Brent Vela, Vahid Attari +4
The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating…
Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys
Nicolas Flores, Daniel Salas Mula, Wenle Xu +15
Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…
Microstructure-Aware Bayesian Materials Design
Danial Khatamsaz, Vahid Attari, Raymundo Arroyave
In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporatin…
Performance-driven Computational Design of Multi-terminal Compositionally Graded Alloy Structures using Graphs
Marshall D. Allen, Vahid Attari, Brent Vela +3
The spatial control of material placement afforded by metal additive manufacturing (AM) has enabled significant progress in the development and implementation of compositionally gr…
Decoding Non-Linearity and Complexity: Deep Tabular Learning Approaches for Materials Science
Vahid Attari, Raymundo Arroyave
Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modal…
Illustrating an Effective Workflow for Accelerated Materials Discovery
Mrinalini Mulukutla, A. Nicole Person, Sven Voigt +26
Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, c…
Accelerated Multi-Objective Alloy Discovery through Efficient Bayesian Methods: Application to the FCC Alloy Space
Trevor Hastings, Mrinalini Mulukutla, Danial Khatamsaz +14
This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material…
On the Effect of Nucleation Undercooling on Phase Transformation Kinetics
José Mancias, Vahid Attari, Raymundo Arróyave +1
We carry out an extensive comparison between Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory of first-order phase transformation kinetics and phase-field (PF) results of a benchmark p…
Uncertainty Propagation in a Multiscale CALPHAD-Reinforced Elastochemical Phase-field Model
Vahid Attari, Pejman Honarmandi, Thien Duong +3
ICME approaches provide decision support for materials design by establishing quantitative process-structure-property relations. Confidence in the decision support, however, must b…
Probing discontinuous precipitation in U-Nb
Thien Duong, Robert E. Hackenberg, Vahid Attari +3
U-Nb's discontinuous precipitation, , is intriguing in the sense that it allows formation and growth of the…
Exploration of the Microstructure Space in TiAlZrN Ultra-Hard Nanostructured Coatings
Vahid Attari, Aitor Cruzado, Raymundo Arroyave
TiAlZrN cubic alloys within the 25-70\% Al composition range have high age-hardening capabilities due to metastable phase transition pathways at high temperat…
On the Interfacial Phase Growth and Vacancy Evolution during Accelerated Electromigration in Cu/Sn/Cu Microjoints
Vahid Attari, Supriyo Ghosh, Thien Duong +1
In this work, we integrate different computational tools based on multi-phase-field simulations to account for the evolution of morphologies and crystallographic defects of Cu/Sn/C…