Multifunctional high-entropy materials

L Han, S Zhu, Z Rao, C Scheu, D Ponge… - Nature Reviews …, 2024 - nature.com
Entropy-related phase stabilization can allow compositionally complex solid solutions of
multiple principal elements. The massive mixing approach was originally introduced for …

Navigating the Expansive Landscapes of Soft Materials: A User Guide for High-Throughput Workflows

EC Day, SS Chittari, MP Bogen, AS Knight - ACS Polymers Au, 2023 - ACS Publications
Synthetic polymers are highly customizable with tailored structures and functionality, yet this
versatility generates challenges in the design of advanced materials due to the size and …

A physics informed bayesian optimization approach for material design: application to NiTi shape memory alloys

D Khatamsaz, R Neuberger, AM Roy… - npj Computational …, 2023 - nature.com
The design of materials and identification of optimal processing parameters constitute a
complex and challenging task, necessitating efficient utilization of available data. Bayesian …

Artificial intelligence (AI) workflow for catalyst design and optimization

NS Lai, YS Tew, X Zhong, J Yin, J Li… - Industrial & …, 2023 - ACS Publications
In the pursuit of novel catalyst development to address pressing environmental concerns
and energy demand, conventional design and optimization methods often fall short due to …

Multi-objective, multi-constraint high-throughput design, synthesis, and characterization of tungsten-containing refractory multi-principal element alloys

C Acemi, B Vela, E Norris, W Trehern, KC Atli, C Cleek… - Acta Materialia, 2024 - Elsevier
Refractory multi-principal element alloys (RMPEAs) have gained interest recently due to
their superior properties at elevated temperatures, including outstanding yield and ultimate …

Alloying effects on the transport properties of refractory high-entropy alloys

P Singh, C Acemi, A Kuchibhotla, B Vela, P Sharma… - Acta Materialia, 2024 - Elsevier
Additive Manufacturing (AM) has opened new frontiers for the design of refractory high-
entropy alloys (HEAs) for high-temperature applications. The thermal conductivity of the AM …

Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs

AKY Low, F Mekki-Berrada, A Gupta… - npj Computational …, 2024 - nature.com
The development of automated high-throughput experimental platforms has enabled fast
sampling of high-dimensional decision spaces. To reach target properties efficiently, these …

Bayesian blacksmithing: discovering thermomechanical properties and deformation mechanisms in high-entropy refractory alloys

J Startt, MJ McCarthy, MA Wood, S Donegan… - npj Computational …, 2024 - nature.com
Finding alloys with specific design properties is challenging due to the large number of
possible compositions and the complex interactions between elements. This study …

Multi-principal element alloy discovery using directed energy deposition and machine learning

P Nelaturu, JR Hattrick-Simpers, M Moorehead… - Materials Science and …, 2024 - Elsevier
Multi-principal element alloys open large composition spaces for alloy development. The
large compositional space necessitates rapid synthesis and characterization to identify …

MLMD: a programming-free AI platform to predict and design materials

J Ma, B Cao, S Dong, Y Tian, M Wang… - npj Computational …, 2024 - nature.com
Accelerating the discovery of advanced materials is crucial for modern industries,
aerospace, biomedicine, and energy. Nevertheless, only a small fraction of materials are …