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RESEARCH PAPER · Journal of Magnesium and Alloys · 2022

High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

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High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloysOriginalAdvanced protective layer design on the surface of Mg-based metal and application in batteries: Challenges and progress51Predicting the Heat of Hydride Formation by Graph Neural Network ‐ Exploring the Structure–Property Relation for Metal Hydrides23Assessment of the Mg–Al–Sb system supported by experiments and extrapolation to the Mg–Al–Sn–Sb quaternary system3Accelerated discovery of magnesium intermetallic compounds with sluggish corrosion cathodic reactions through active learning and DFT calculations47First-Principles Study of F and H Adsorption on Corrosion Resistance of Titanium Bipolar Plates5Machine learning-based prediction of pitting corrosion resistance in stainless steels exposed to chloride environments26Advances in data‐assisted high‐throughput computations for material design112Searching the chemical space for effective magnesium dissolution modulators: a deep learning approach using sparse features7A highly degradable Mg-Al-Ca alloy with superior anti-tumor efficacy16Machine Learning in Enhancing Corrosion Resistance of Magnesium Alloys: A Comprehensive Review21Local descriptors-based machine learning model refined by cluster analysis for accurately predicting adsorption energies on bimetallic alloys27First-principles modeling of corrosion potential/current and its application in AZ and AZ-RE magnesium alloys11A brief review of machine learning-assisted Mg alloy design, processing, and property predictions38The anodic dissolution kinetics of Mg alloys in water based on ab initio molecular dynamics simulations13Two-stage feature selection for machine learning-aided DFT-based surface reactivity study on single-atom alloys3Multi‐objective optimization of three mechanical properties of Mg alloys through machine learning33Study on the crystallographic orientation dependent electrochemical corrosion rates of aluminum and its binary alloys17Synergistic effects of BSA adsorption and shear stress on corrosion behaviors of WE43 alloy under simulated physiological flow field14Discerning the duality of H in Mg: H-induced damage and ductility8Impacts of process parameters on diesel reforming via interpretable machine learning5Rapid prediction of the corrosion behaviour of coated biodegradable magnesium alloys using phase field simulation and machine learning22A surface emphasized multi-task learning framework for surface property predictions: A case study of magnesium intermetallics5Composition and Design Strategies for Magnesium-Based Biodegradable Alloys0Enhancing Protective Oxide Film Formation in Mg-Al-Sn-Gd-Nd-Ca Alloys Via Al-Induced Heterogeneous Nucleation0Enhancing Protective Oxide Film Formation in Mg-Al-Sn-Gd-Nd-Ca Alloys Via Al-Induced Heterogeneous Nucleation0Machine learning-based phase prediction in high-entropy alloys: further optimization of feature engineering12First-principles investigation of the influence of rare earth element doping on the corrosion characteristics of Mg (0001) surface5Machine learning-assisted prediction and interpretation of electrochemical corrosion behavior in Mg–Li alloys21First-principles study of work functions and micro-galvanic corrosion between Mg and Mg–Dy intermetallics1Machine learning-driven alloy digital design for hydrogen storage: a review12Revealing the optimal cycling intervals and atomic-scale mechanisms of alkaline alloy anodes for solid-state batteries3Corrosion performance prediction of self-healing smart coatings on AZ31 magnesium alloys using feedforward neural network1High-Temperature Measurement Method Based on Ensemble Learning with Combined Dual-Color and Tri-Color Colorimetric Thermometry*0Review: machine learning approaches for diverse alloy systems46Reverse design of Mg-Zn-Mn-Sr-Ca alloys for biodegradable implants by interpretable machine learning and genetic algorithm15Machine learning coupled with an improved exhaustive method-assisted design of a low cost Ti-Al-Cr-Fe-Si series titanium alloy10Computational methods and artificial intelligence-based modeling of magnesium alloys: a systematic review of machine learning, deep learning, and data-driven design and optimization approaches41Density of States Prediction by a Metric-Optimized Equivariant Graph Neural Network0Research Progress on Corrosion Behavior of Magnesium Alloy Composites in Practical Service Conditions12The machine learning-based establishment of a predictive model for the soft magnetic properties of FeSiAl alloy1Revisiting the Hydrogen Evolution Kinetics of Magnesium Corrosion: a First-principles Study with Constant Potential Method0Interpretable machine learning design for concurrent and significant enhancement of the mechanical properties and corrosion resistance of low-density Mg-Li alloys21Nanoscale Characterization of Nanomaterial-Based Systems: Mechanisms, Experimental Methods, and Challenges in Probing Corrosion, Mechanical, and Tribological Properties17Corrosion prediction for MAO-coated magnesium using machine learning approach2Data-driven multi-objective synergistic to targeted enhancement framework for high-performance aluminum alloy design2Harnessing the power of α-Mg: Unveiling the matrix phase’s role in Mg alloys from structure to function5Research on the microstructure evolution and degradation behavior of biomedical Mg-Al-Mn-La alloys assisted by machine learning2First-Principles Study on Stability and Hydrogen Evolution Reaction Behavior of Mg17Al12 (001) and Mg24Y5 (001) Surfaces0First-principles investigation of water adsorption and dissociation on the Al/Y-doped Mg (0001) surface0Machine learning with local outlier factor for predicting the electrochemical corrosion behavior of rare-earth-doped Mg alloys in chloride ions2Effect of electrochemical water treatment processes on carbon steel corrosion in urban water supply system0Cytotoxic and Genotoxic Investigation of Nd and Ce Crossover in Cast EZ43 Magnesium Alloy Enriched Using Rare Elements1Enhancing protective oxide film formation in Mg-Al-Sn-Gd-Nd-Ca alloys via Al-induced heterogeneous nucleation1Prediction of mechanical properties of magnesium alloys through machine learning: a review0Influence of gadolinium on mechanical properties of Mg-xGd-7Y-2Zn-1Mn alloys containing long-period stacking ordered and nano-lamellar structures1Thermodynamics-constrained generative adversarial network for synergistic strength-ductility inverse design of rare-earth magnesium alloys0Corrosion behavior of as-cast AZ91 Mg alloy under varying thermo-pressure conditions0Revisiting the cathodic hydrogen evolution kinetics of magnesium corrosion: a first-principles study with constant-potential method0Exceptional mechanical properties by enhanced dislocation behaviors and solute segregation at lamellar structures via rotary swaging and aging treatment in Mg-Y-Zn-Mn alloy0Synchronously enhancing the strength and ductility of industrial-scale Mg-RE-Zn alloys containing LPSO phase via interpretable machine learning1Balancing Reactivity and Ion Transport in Mg Alloy Anodes via Secondary-Phase Engineering1Enhanced corrosion resistance by engineering basal-oriented grains in Mg-Al-Sn-Ca alloys to retard H/O/Cl adsorption through friction stir processing1A survey of machine learning applications for Mg alloys: A promising prospect for current trends and future directions2High-throughput design and machine-learning optimization of SLM-fabricated high-entropy alloy coatings on magnesium alloys1Influence of rare earth-rich structures on the multi-properties of magnesium alloys: A review1Synchronously enhancing growth efficiency and corrosion resistance of plasma electrolytic oxidation coatings on magnesium alloys via interpretable machine learning0Ca-Y-driven co-precipitation and interfacial segregation enabling retarded hydrogen evolution and accelerated passivation in a twin-roll cast dilute Mg-Al-Mn-based alloy0Thermodynamics-governed integration of AI and ICME for materials design: Free-energy landscape and hierarchical entropy0Insights into corrosion and discharge behaviors of Mg-Er binary alloys as anodes for Mg-air batteries0Surface modification of magnesium alloys for biomedical applications: Recent progress and emerging artificial intelligence approaches0Revealing the dynamic evolution of interfacial water during Mg anodic dissolution0Mapping coupled composition-processing effects on the strength and ductility of magnesium alloys with interpretable machine learning0Machine learning for biomaterials design2Electrochemical corrosion behavior of magnesium anodes0First-Principles Study of the Orientation Dependence and Alloying Effects on the Corrosion Behavior of Zinc in Alkaline Environments0Uncertainty-aware active-learning design of high-strength, corrosion-resistant as-extruded Mg–Al–Zn–Mn–Ca–Y alloys using Bayesian neural networks0Atomic-Scale Insights into Corrosion-Resistant Stainless Steels via First-Principles Calculations: A Review0Machine learning for high-performance alloy design: A review0

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  4. Accelerated discovery of magnesium intermetallic compounds with sluggish corrosion cathodic reactions through active learning and DFT calculations

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