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Machine learning assisted prediction of the Young's modulus of compositionally complex alloys.

ABSTRACT: We identify compositionally complex alloys (CCAs) that offer exceptional mechanical properties for elevated temperature applications by employing machine learning (ML) in conjunction with rapid synthesis and testing of alloys for validation to accelerate alloy design. The advantages of this approach are scalability, rapidity, and reasonably accurate predictions. ML tools were implemented to predict Young's modulus of refractory-based CCAs by employing different ML models. Our results, in conjunction with experimental validation, suggest that average valence electron concentration, the difference in atomic radius, a geometrical parameter λ and melting temperature of the alloys are the key features that determine the Young's modulus of CCAs and refractory-based CCAs. The Gradient Boosting model provided the best predictive capabilities (mean absolute error of 6.15 GPa) among the models studied. Our approach integrates high-quality validation data from experiments, literature data for training machine-learning models, and feature selection based on physical insights. It opens a new avenue to optimize the desired materials property for different engineering applications.

SUBMITTER: Khakurel H

PROVIDER: S-EPMC8387451 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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Machine learning assisted prediction of the Young's modulus of compositionally complex alloys.

Khakurel Hrishabh H Taufique M F N MFN Roy Ankit A Balasubramanian Ganesh G Ouyang Gaoyuan G Cui Jun J Johnson Duane D DD Devanathan Ram R

Scientific reports 20210825 1

We identify compositionally complex alloys (CCAs) that offer exceptional mechanical properties for elevated temperature applications by employing machine learning (ML) in conjunction with rapid synthesis and testing of alloys for validation to accelerate alloy design. The advantages of this approach are scalability, rapidity, and reasonably accurate predictions. ML tools were implemented to predict Young's modulus of refractory-based CCAs by employing different ML models. Our results, in conjunc ...[more]

PMID: 34433841

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Project description:Static Young's modulus (E s) is a critical property required in numerous petroleum calculations. Various models to forecast E s have been proposed in the literature. However, existing models, by and large, lack precision and are confined to specific data set ranges. This study proposes an alternative approach for E s determination, utilizing different machine learning methods, such as an adaptive neuro-fuzzy inference system (ANFIS). In these proposed methods, the predictor variables include bulk formation density (RHOB), shear wave velocity (DTs), and compressional wave velocity (DTc). The models were trained on a data set comprising 1853 hydrocarbon reservoir rock samples from globally diverse locations. They were evaluated using trend, group error, and statistical error analyses. To test the efficacy of the proposed models, the optimally performing model was identified and used to detect the rock types along with the previously published models. Results indicated that ANFIS is the optimum model and can predict E s with an average absolute percentage relative error (AAPRE) of 5.1% and a correlation coefficient (R) of 0.9602. The ANFIS method has some benefits over other machine learning approaches insofar as its superiority in reaching a quicker decision about the mapped relationship between the inputs and outputs because it combines artificial neural networks and fuzzy logic in one tool. The ANFIS can perform a highly nonlinear mapping and displays a better learning ability. The proposed ANFIS model demonstrates its ability to capture accurate physical relationships between input rock properties and E s through trend analysis, which shows that increasing the RHOB increases the E s. Contrarily, increasing the DTc and DTs reduces the E s. Furthermore, the ANFIS model can accurately detect the rock types based on its E s determinations. This research demonstrates the importance of accurately predicting E s for the proper identification of rock types. Thus, this study offers potential advancements in geological assessments of hydrocarbon reservoirs and improvements in many petroleum engineering applications.

Dataset Information

Machine learning assisted prediction of the Young's modulus of compositionally complex alloys.

Publications

Machine learning assisted prediction of the Young's modulus of compositionally complex alloys.

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