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RESEARCH PAPER · Acta Materialia · 2020

Integrating data mining and machine learning to discover high-strength ductile titanium alloys

Chengxiong Zou, Jinshan Li, William Yi Wang, Ying Zhang, De-Ye Lin, Ruihao Yuan, Xiaodan Wang, Bin Tang, Jun Wang, Xingyu Gao, Hongchao Kou, Xidong Hui, Xiaoqin Zeng, Ma Qian, Haifeng Song, Zi‐Kui Liu, Dongsheng Xu

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Integrating data mining and machine learning to discover high-strength ductile titanium alloysOriginalBoosting for concept design of casting aluminum alloys driven by combining computational thermodynamics and machine learning techniques32Lattice distortion-enhanced superlubricity of (Mo, X)S 2 (X = Al, Ti, Cr and V) with moiré superlattice9Modelling of phase stability: integrating computational materials science and materials informatics3Electronic structures and properties of TiAl/Ti2AlNb heterogeneous interfaces: A comprehensive first-principles study22Effect of High Strain Rate on Adiabatic Shearing of α+β Dual-Phase Ti Alloy5Study on strengthening effects of Zr-Ti-Nb-O alloys via high throughput powder metallurgy and data-driven machine learning29Probing the mechanical properties of ordered and disordered Pt-Ir alloys by first-principles calculations31ICME guided design of heat-treatable Zn-modified Al–Mg alloys21Site Occupation and Structural Phase Transformation of the (010) Antiphase Boundary in Boron-Modified L12 Ni3Al2Revealing the Local Microstates of Fe–Mn–Al Medium Entropy Alloy: A Comprehensive First-principles Study5Accelerated discovery of single-phase refractory high entropy alloys assisted by machine learning98Effects of Mo and Cr contents on microstructures and mechanical properties of near β-Ti alloy31Understanding alloying behaviors of Sc, Ni and Zn additions on Al/TiB2 interfaces based on interfacial characteristics and solute properties25A reverse design model for high-performance and low-cost magnesium alloys by machine learning48Machine Learning‐Driven Biomaterials Evolution299A machine learning-based alloy design system to facilitate the rational design of high entropy alloys with enhanced hardness335Progress in Ti3O5: Synthesis, properties and applications42Lattice stability, mechanical and thermal properties of a new class of multicomponent (Fe, Mo, W)6C η carbides with different atomic site configurations15High-throughput exploration of the composition-dependent elasto-plastic properties in Co–Ni–W system9Big data-assisted digital twins for the smart design and manufacturing of advanced materials: from atoms to products29Data Density as Discovery Bias: Uneven Sampling in Computational Materials Exploration0Data Mining-Based Variant Subset Features2Feature Subset Selection Techniques with Machine Learning2High-cycle fatigue S-N curve prediction of steels based on a transfer learning-guided convolutional neural network9In Situ Experiments: Paving Ways for Rapid Development of Structural Metallic Materials for a Sustainable Future2Real-Time Application with Data Mining and Machine Learning3Scaling Laws without Physics: A Conceptual Analysis of Model Expansion in Computational Materials Engineering0SISSO-assisted prediction and design of mechanical properties of porous graphene with a uniform nanopore array25Local orders, lattice distortions, and electronic structure dominated mechanical properties of (ZrHfTaM1M2)C (M = Nb, Ti, V)21Effect of High Strain Rates on Adiabatic Shear Bands Evolution and Mechanical Performance of Dual-Phase Ti Alloy3A property-oriented design strategy of high-strength ductile RAFM steels based on machine learning38Machine learning combined with feature engineering to search for BaTiO3 based ceramics with large piezoelectric constant45Metallurgical Data Science for Steel Industry: A Case Study on Basic Oxygen Furnace32Exploring the solution strengthening effect of 33 alloying elements in Pt-based alloys by high-throughput first-principles calculations9Changes of alloying elements on elasticity and solid solution strengthening of α‐Ti alloys: a comprehensive high‐throughput first‐principles calculations49Neural Network Modeling of NiTiHf Shape Memory Alloy Transformation Temperatures21High cycle fatigue S-N curve prediction of steels based on transfer learning guided long short term memory network60Machine-learning-assisted discovery of empirical rule for inherent brittleness of full Heusler alloys15First-principles study on the thermodynamic, electronic and mechanical properties of Mg–Al–Si ternary compounds24On the use of transfer modeling to design new steels with excellent rotating bending fatigue resistance even in the case of very small calibration datasets78Material machine learning for alloys: Applications, challenges and perspectives150Revealing sulfur- and phosphorus-induced embrittlement and local structural phase transformation of superlattice intrinsic stacking faults in L12-Ni3Al9The intrinsic strength prediction by machine learning for refractory high entropy alloys25A feasibility study of machine learning-assisted alloy design using wrought aluminum alloys as an example28Digital Twin Assistant Active Design and Optimization of Steel Mega-Sub Controlled Structural System under Severe Earthquake Waves2Overview: recent studies of machine learning in phase prediction of high entropy alloys56Random forest incorporating ab-initio 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research: Recent applications and prospects21Role of intracrystalline hydrogen on the ductility of dilute Ti-based alloys by first-principles calculations2Accelerated discovery of oxidation-resistant ultra-high temperature ceramics via data driven methodology11NiTiHfX Shape Memory Alloy Actuation Strain Prediction1Advances in data‐assisted high‐throughput computations for material design112Data science and material informatics in physical metallurgy and material science: An overview of milestones and limitations32High-throughput exploration of composition-dependent elasto-plastic and diffusion properties of refractory multi-element Ti-Nb-Zr-W alloys8Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution Reaction207La Inteligencia Artificial y la producción académica0The rapid densification behavior of powder metallurgy Ti alloys by induction heating sintering35Unraveling hot deformation behavior and microstructure evolution, flow stress prediction of 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electronic properties of Mg-Al-X (X=Sn, Pb) ternary compounds3A comprehensive overview of additive manufacturing aluminum alloys: Classifications, structures, properties and defects elimination103Evaluation of Machine Learning Models for Predicting the Hot Deformation Flow Stress of Sintered Al–Zn–Mg Alloy11Smart design A2Zr2O7-type high-entropy oxides through lattice-engineering toughening strategy11Investigation on the Structure Profile of Precise Copper Tube by Three-Roll Planetary Rolling Based on Finite Element Simulation Assisted by Machine Learning0Biomedical Ti–Nb–O alloy with high strength and ultra-low Young’s modulus14Effects of different transition metal elements on the thermodynamic properties of thorium-based carbide nuclear fuels: A first-principles study6Steel design based on a large language model57Construction of a Composition-Deformation Mechanism-Property Prediction Model to Simultaneously Improve the Strength and Ductility of Β-Titanium Alloys Via Machine Learning0Effect of V on the deformation mechanisms and mechanical properties of Ti-5Mo-4Cr-xV-1Zr metastable β titanium alloys19Influence of alloying elements on the thermodynamic and elastic properties of palladium based alloys and database construction0Machine Learning for the Design of High Entropy Alloys: A Review3Machine learning-based prediction of alloying element effects on irradiation swelling in austenitic steels0Microstructural Evolution and Mechanical Properties of a (Α+Β) Titanium Alloy Subjected to Cyclic Multi-Directional Forging0Developing softening-resistant Cu-Cr alloys and understanding their mechanisms via mechanism-informed interpretable machine learning21New era towards autonomous additive manufacturing: a review of recent trends and future perspectives53Unveiling the mechanisms of solid-solution strengthening in Ti alloys with dual-phase structures: an in-depth first-principles investigation5Predicting mechanical properties of bainitic rail steels based on microstructure digitalization and machine learning4Artificial intelligence artificial muscle of dielectric elastomers20An intelligent screening for rare earth in Ni alloy based on machine learning and multi-objective optimisation0Designing Laves-phase RFe2-type alloy with excellent magnetostrictive performance by physics-informed interpretable machine learning9Prediction of thermal conductivity in multi-component magnesium alloys based on machine learning and multiscale computation15Data-driven design of multicomponent alloy electrodeposits: A machine learning-based analysis of Ni–Co anomalous co-deposition11A machine learning approach to modelling temperature-dependent cyclic behaviour2Breaking the Hardness Limit of WB 4 : Transformation From β‐B to Harder T ‐B3Machine learning for obtaining values of thermomechanical processing parameters of high-entropy alloys with desirable strength and ductility13Generalizable descriptors for automatic titanium alloys design by learning from texts via large language model21Rapid design of processing parameters for Zero-Sample alloys via multi-acquisition-function Bayesian optimization5ProME: An integrated computational platform for material properties at extremes and its application in multicomponent alloy design8Composition-deformation mechanism-property machine learning model for strength-ductility improvement of β-type titanium alloys20Review: Recent progress in titanium alloys development via machine learning and high-throughput preparation4Uncovering the effect of aging temperature on micro deformation incompatibility and strength-ductility evolution of a novel high-strength titanium alloy with bimodal microstructure7BNFW: Boundary and noise detection clustering for data with fuzzy boundaries and weak connectivity2Density functional theory insight into the role of Al and V in Ti–6Al–4V dental implants: structural, electronic, and mechanical properties7Uncertainty-aware machine learning framework for predicting dislocation plasticity and stress–strain response in metallic alloys, Part I : FCC systems6Microstructural evolution and mechanical properties of an (α + β) titanium alloy subjected to cyclic multi-directional forging4A dual-phase Ti-6.5Al-2V-2Mo-1Nb-14Zr-0.1Si alloy with superior 600 °C strength and ductility developed from Ti-6Al-4V cluster formula23RESEARCH PROGRESS ON THE PLASTICITY OF LASER WIRE-FED WELDED TITANIUM ALLOY JOINTS0Artificial intelligence in the development of structural and functional materials: A transformative frontier and complementary enabler of the rational alloy design framework10

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