Machine learning in nuclear materials research

Morgan, Dane; Pilania, Ghanshyam; Couet, Adrien; Uberuaga, Blas P.; Sun, Cheng; Li, Ju

doi:10.1016/j.cossms.2021.100975

Cited by 58 publications

(19 citation statements)

References 206 publications

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“…Such phase compatibility can be checked by the CALculation of PHAse Diagrams (CALPHAD) method. [ 29 ] Moreover, it is important to disperse nano‐phases uniformly throughout the matrix since aggregation can make their interface with the matrix have a longer end‐to‐end distance, which is detrimental from the stress amplification factor considerations (recall that oblate opening gives stress amplification factor →∞, while spherical and prolate do not when the end‐to‐end distances →∞). To enable uniform dispersion, the nano‐phases need to have a low enough wetting angle with the metal matrix.…”

Section: Resultsmentioning

confidence: 99%

Materials Genomics Search for Possible Helium‐Absorbing Nano‐Phases in Fusion Structural Materials

Kim

Chen

et al. 2022

Advanced Science

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Civilian fusion demands structural materials that can withstand the harsh environments imposed inside fusion plasma reactors. The structural materials often transmute under 14.1 MeV fast neutrons, producing helium (He), which embrittles the grain boundary (GB) network. Here, it is shown that neutron‐friendly and mechanically strong nano‐phases with atomic‐scale free volume can have low He‐embedding energy scriptEemb${\mathcal{E}}_{\mathrm{emb}}$ and >10 at.% He‐absorbing capacity, and can be especially advantageous for soaking up He on top of resisting radiation damage and creep, provided they have thermodynamic compatibility with the matrix phase, satisfactory equilibrium wetting angle, as well as a high enough melting point. The preliminary experimental demonstration proves that scriptEemb${\mathcal{E}}_{\mathrm{emb}}$ is a good ab initio predictor of He shielding potency in nano‐heterophase materials, and thus, scriptEemb${\mathcal{E}}_{\mathrm{emb}}$ is used as a key feature for computational screening. In this context, a list of viable compounds expected to be good He‐absorbing nano‐phases is presented, taking into account scriptEemb${\mathcal{E}}_{\mathrm{emb}}$, the neutron absorption and activation cross‐sections, the elastic moduli, melting temperature, the thermodynamic compatibility, and the equilbrium wetting angle of the nano‐phases with the Fe matrix as an example.

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Section: Resultsmentioning

confidence: 99%

Materials Genomics Search for Possible Helium‐Absorbing Nano‐Phases in Fusion Structural Materials

Kim

Chen

et al. 2022

Advanced Science

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“…For a review of the state-of-the-art in autonomous materials science, the interested reader is referred to recent reports by Stach et. al and Ju et al…”

Section: Toward High-throughput Autonomous Electrochemical Systemsmentioning

confidence: 92%

“…For a review of the state-of-the-art in autonomous materials science, the interested reader is referred to recent reports by Stach et. al 3 and Ju et al 65 To date, the field of autonomous electrochemistry is relatively unexplored with few demonstrated systems in the literature, as reviewed below. Dave et al demonstrated an autonomous platform for mixing and electrochemically testing different electrolyte compositions for battery applications.…”

Section: Toward High-throughput Autonomous Electrochemical Systemsmentioning

confidence: 99%

High-Throughput Electrochemistry to Study Materials Degradation in Extreme Environments

et al. 2022

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Electrochemistry has been used for decades to study materials’ degradation in situ in corrosive environments, whether it is in room-temperature chemically aggressive solutions containing halide ions or in high-temperature oxidizing media such as pressurized water, liquid metals, or molten salts. Thus, following the recent surge in high-throughput techniques in materials science, it seems quite natural that high-throughput electrochemistry is being considered to study materials’ degradation in extreme environments, with the objective to reduce corrosion resistant alloy development time by orders of magnitude and identify complex degradation mechanisms. However, while there has been considerable interest in the development of high-throughput methods for accelerating the discovery of corrosion resistant materials in different environments, these extreme environments propose formidable and exciting challenges for high-throughput electrochemical instrumentation, characterization, and data analysis. It is the objective of this paper to highlight those challenges, to present relatively new efforts to tackle them, and to develop research perspectives on the future of this exciting field. This Perspective is articulated around four main interconnected topics, which must be conjointly considered to enable corrosion resistant alloy design using high-throughput electrochemical methods: (1) high-throughput processing methods to develop material libraries, (2) high-throughput electrochemical methods for corrosion testing and evaluation, (3) high-throughput machine-learning augmented electrochemical data analysis, and (4) high-throughput autonomous electrochemistry representing the future of accelerated electrochemistry research.

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“…Scientic publications have long been a critical source of information for researchers to gain insights into the latest ndings of scientic endeavor and use them to accelerate datadriven discoveries. In the area of materials science, for example, successful data-driven techniques have been applied to the design of new materials such as catalysts, 1,2 solar cells, [3][4][5] nuclear materials, 6,7 and battery materials. [8][9][10][11] Key to these materials discoveries is the quality and quantity of data.…”

Section: Introductionmentioning

confidence: 99%

BatteryDataExtractor: battery-aware text-mining software embedded with BERT models

Huang

Cole

2022

Chem. Sci.

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Machine learning in nuclear materials research

Cited by 58 publications

References 206 publications

Materials Genomics Search for Possible Helium‐Absorbing Nano‐Phases in Fusion Structural Materials

Materials Genomics Search for Possible Helium‐Absorbing Nano‐Phases in Fusion Structural Materials

High-Throughput Electrochemistry to Study Materials Degradation in Extreme Environments

BatteryDataExtractor: battery-aware text-mining software embedded with BERT models

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