Chemical-affinity disparity and exclusivity drive atomic segregation, short-range ordering, and cluster formation in high-entropy alloys
Recently, atomic segregation, short-range ordering, and cluster formation have been
observed experimentally in high-entropy alloys (HEAs). Differences in the atomic size and …
observed experimentally in high-entropy alloys (HEAs). Differences in the atomic size and …
Quantifying chemical short-range order in metallic alloys
Metallic alloys often form phases—known as solid solutions—in which chemical elements
are spread out on the same crystal lattice in an almost random manner. The tendency of …
are spread out on the same crystal lattice in an almost random manner. The tendency of …
Short-range order and phase stability of CrCoNi explored with machine learning potentials
We present an analysis of temperature-dependent atomic short-range ordering and phase
stability of the face-centered cubic CrCoNi medium-entropy alloy employing a combination …
stability of the face-centered cubic CrCoNi medium-entropy alloy employing a combination …
Simulating short-range order in compositionally complex materials
In multicomponent materials, short-range order (SRO) is the development of correlated
arrangements of atoms at the nanometer scale. Its impact in compositionally complex …
arrangements of atoms at the nanometer scale. Its impact in compositionally complex …
Defect-characterized phase transition kinetics
Phase transitions are a common phenomenon in condensed matter and act as a critical
degree of freedom that can be employed to tailor the mechanical or electronic properties of …
degree of freedom that can be employed to tailor the mechanical or electronic properties of …
Vacancy formation energies and migration barriers in multi-principal element alloys
Multi-principal element alloys (MPEAs) continue to garner interest as structural and plasma-
facing materials due to their structural (phase) stability and increased resistance to radiation …
facing materials due to their structural (phase) stability and increased resistance to radiation …
Tensor-reduced atomic density representations
Density-based representations of atomic environments that are invariant under Euclidean
symmetries have become a widely used tool in the machine learning of interatomic …
symmetries have become a widely used tool in the machine learning of interatomic …
[HTML][HTML] Materials informatics for mechanical deformation: A review of applications and challenges
K Frydrych, K Karimi, M Pecelerowicz, R Alvarez… - Materials, 2021 - mdpi.com
In the design and development of novel materials that have excellent mechanical properties,
classification and regression methods have been diversely used across mechanical …
classification and regression methods have been diversely used across mechanical …
[HTML][HTML] Machine learning strategies for high-entropy alloys
The study of high-entropy (HE) alloys has seen dramatic growth in recent years as, in some
cases, these systems can exhibit exceptional properties, including enhanced oxidation …
cases, these systems can exhibit exceptional properties, including enhanced oxidation …
Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys
We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML)
framework leveraging Gaussian processes (GP) to fuse atomistic computational model …
framework leveraging Gaussian processes (GP) to fuse atomistic computational model …