Alloys innovation through machine learning:a statistical literature review

This review systematically analyzes over 200 publications to explore the growing role of data-driven methods and their potential benefits in accelerating alloy development. The review presents a comprehensive overview of different aspects of alloy innovation by machine learning and other computational approaches used in recent years. These methods harness the power of advanced simulation techniques and data analytics to expedite materials’ discovery, predict properties, and optimize performance. Through analysis, significant trends and disparities within the data discerned, while highlighting previously overlooked research gaps, thus underscoring areas that require further exploration. Machine Learning techniques are widely applied across various alloys, with a pronounced emphasis on steel and High Entropy Alloys. Notably, researchers primarily investigate the physical, mechanical, and catalytic properties of materials. In terms of methodology, while 68% of the examined papers rely on a single machine learning model, the remainder employ a range of 2 to 12 models, with Neural Network being the most prevalent choice. However, a notable concern arises as 53% of these papers do not share their dataset, and a staggering 81% do not provide access to their code. Paramount importance of adopting a systematic approach when scrutinizing machine learning methodologies is underscored. Analysis shows lack of consistency and diversity in the methods employed by researchers in the field of alloy development, highlighting the potential for improvement through standardization. The critical analysis of the literature not only reveals prevailing trends and patterns but also shines a light on the inherent limitations within the traditional trial-and-error paradigm

Triboinformatic Approaches for Surface Characterization: Tribological and Wetting Properties

Tribology is the study of surface roughness, adhesion, friction, wear, and lubrication of interacting solid surfaces in relative motion. In addition, wetting properties are very important for surface characterization. The combination of Tribology with Machine Learning (ML) and other data-centric methods is often called Triboinformatics. In this dissertation, triboinformatic methods are applied to the study of Aluminum (Al) composites, antimicrobial, and water-repellent metallic surfaces, and organic coatings.Al and its alloys are often preferred materials for aerospace and automotive applications due to their lightweight, high strength, corrosion resistance, and other desired material properties. However, Al exhibits high friction and wear rates along with a tendency to seize under dry sliding or poor lubricating conditions. Graphite and graphene particle-reinforced Al metal matrix composites (MMCs) exhibit self-lubricating properties and they can be potential alternatives for Al alloys in dry or starved lubrication conditions. In this dissertation, artificial neural network (ANN), k-nearest neighbor (KNN), support vector machine (SVM), random forest (RF), gradient boosting machine (GBM), and hybrid ensemble algorithm-based ML models have been developed to correlate the dry friction and wear of aluminum alloys, Al-graphite, and Al-graphene MMCs with material properties, the composition of alloys and MMCs, and tribological parameters. ML analysis reveals that the hardness, sliding distance, and tensile strength of the alloys influences the COF most significantly. On the other hand, the normal load, sliding speed, and hardness were the most influential parameters in predicting wear rate. The graphite content is the most significant parameter for friction and wear prediction in Al-graphite MMCs. For Al-graphene MMCs, the normal load, graphene content, and hardness are identified as the most influential parameters for COF prediction, while the graphene content, load, and hardness have the greatest influence on the wear rate. The ANN, KNN, SVM, RF, and GBM, as well as hybrid regression models (RF-GBM), with the principal component analysis (PCA) descriptors for COF and wear rate were also developed for Al-graphite MMCs in liquid-lubricated conditions. The hybrid RF-GBM models have exhibited the best predictive performance for COF and wear rate. Lubrication condition, lubricant viscosity, and applied load are identified as the most important variables for predicting wear rate and COF, and the transition from dry to lubricated friction and wear is studied. The micro- and nanoscale roughness of zinc (Zn) oxide-coated stainless steel and sonochemically treated brass (Cu Zn alloy) samples are studied using the atomic force microscopy (AFM) images to obtain the roughness parameters (standard deviation of the profile height, correlation length, the extreme point location, persistence diagrams, and barcodes). A new method of the calculation of roughness parameters involving correlation lengths, extremum point distribution, persistence diagrams, and barcodes are developed for studying the roughness patterns and anisotropic distributions inherent in coated surfaces. The analysis of the 3×3, 4×4, and 5×5 sub-matrices or patches has revealed the anisotropic nature of the roughness profile at the nanoscale. The scale dependency of the roughness features is explained by the persistence diagrams and barcodes. Solid surfaces with water-repellent, antimicrobial, and anticorrosive properties are desired for many practical applications. TiO2/ZnO phosphate and Polymethyl Hydrogen Siloxane (PMHS) based 2-layer antimicrobial and anticorrosive coatings are synthesized and applied to steel, ceramic, and concrete substrates. Surfaces with these coatings possess complex topographies and roughness patterns, which cannot be characterized completely by the traditional analysis. Correlations between surface roughness, coefficient of friction (COF), and water contact angle for these surfaces are obtained. The hydrophobic modification in anticorrosive coatings does not make the coated surfaces slippery and retained adequate friction for transportation application. The dissertation demonstrates that Triboinformatic approaches can be successfully implemented in surface science, and tribology and they can generate novel insights into structure-property relationships in various classes of materials

Bridging FEM and Artificial Neural Network in gating system design for smart 3D sand casting

A relatively new methodology bridging FEM and Artificial Neural Network (ANN) is proposed and validated in this study to optimize the gating system design for smart 3D sand casting. This methodology was applied on the case of 3D sand casting of a simple plate with aluminum alloy (EN AC-44200). Several mold-filling simulations are performed with the commercial FE code ProCast® by using a combination of the studied gating system design parameters, selected from Taguchi orthogonal array. Signal to noise (S/N) ratio and analysis of variance (ANOVA) are then employed to analyze the contributions of the studied design parameters on the molten metal velocity at the ingate. The significant parameters and their corresponding FE simulations are used to train and validate the ANN model. It is found that ANN simulator can rapidly predict the ingate velocity for any combination of the significant gating system design parameters covering the studied design space

Challenges towards Structural Integrity and Performance Improvement of Welded Structures

Welding is a fabrication process that joint materials, is extensively utilized in almost every field of metal constructions. Heterogeneity in mechanical properties, metallurgical and geometrical defects, post-weld residual stresses and distortion due to non-linear welding processes are prime concerns for performance reduction and failures of welded structures. Consequently, structural integrity analysis and performance improvement of weld joints are important issues that must be considered for structural safety and durability under loading. In this study, an extensive experimental program and analysis were undertaken on the challenges towards structural integrity analysis and performance improvement of different welded joints. Two widely used welding techniques including solid-state “friction- stir- welding (FSW)” and fusion arc “gas tungsten arc welding (GTAW)” were employed on two widely utilized materials, namely aluminum alloys and structural steels. Various destructive and non-destructive techniques were utilized for structural integrity analysis of the welded joints. Furthermore, various “post-weld treatment (PWT)” techniques were employed to improve mechanical performances of weld joints. The work herein is divided into six different sections including: (i) Establishment of an empirical correlation for FSW of aluminum alloys. The developed empirical correlation relates the three critical FSW process parameters and was found to successfully distinguish defective and defect-free weld schedules; (ii) Development of an optimized “adaptive neuro-fuzzy inference system (ANFIS)” model utilizing welding process parameters to predict ultimate tensile strength (UTS) of FSW joints; (iii) Determination of an optimum post-weld heat treatment (PWHT) condition for FS-welded aluminum alloys; (iv) Exploration on the influence of non-destructively evaluated weld-defects and obtain an optimum PWHT condition for GTA-welded aluminum alloys; (v) Investigation on the influence of PWHT and electrolytic-plasma-processing (EPP) on the performance of welded structural steel joints; and finally, (vi) Biaxial fatigue behavior evaluation of welded structural steel joints. The experimental research could be utilized to obtain defect free weld joints, establish weld acceptance/rejection criteria, and for the better design of welded aluminum alloy and steel structures. All attempted research steps mentioned above were carried out successfully. The results obtained within this effort will increase overall understanding of the structural integrity of welded aluminum alloys and steel structures

Additive Manufacturing Research and Applications

This Special Issue book covers a wide scope in the research field of 3D-printing, including: the use of 3D printing in system design; AM with binding jetting; powder manufacturing technologies in 3D printing; fatigue performance of additively manufactured metals, such as the Ti-6Al-4V alloy; 3D-printing methods with metallic powder and a laser-based 3D printer; 3D-printed custom-made implants; laser-directed energy deposition (LDED) process of TiC-TMC coatings; Wire Arc Additive Manufacturing; cranial implant fabrication without supports in electron beam melting (EBM) additive manufacturing; the influence of material properties and characteristics in laser powder bed fusion; Design For Additive Manufacturing (DFAM); porosity evaluation of additively manufactured parts; fabrication of coatings by laser additive manufacturing; laser powder bed fusion additive manufacturing; plasma metal deposition (PMD); as-metal-arc (GMA) additive manufacturing process; and spreading process maps for powder-bed additive manufacturing derived from physics model-based machine learning

Alloys innovation through machine learning: a statistical literature review

Statement of novelty: Through statistical analysis of 200+ papers, this research identifies trends, patterns and gaps to highlight areas for further exploration in using machine learning for alloy development.This review systematically analyzes over 200 publications to explore the growing role of data-driven methods and their potential benefits in accelerating alloy development. The review presents a comprehensive overview of different aspects of alloy innovation by machine learning and other computational approaches used in recent years. These methods harness the power of advanced simulation techniques and data analytics to expedite materials’ discovery, predict properties, and optimize performance. Through analysis, significant trends and disparities within the data discerned, while highlighting previously overlooked research gaps, thus underscoring areas that require further exploration. Machine Learning techniques are widely applied across various alloys, with a pronounced emphasis on steel and High Entropy Alloys. Notably, researchers primarily investigate the physical, mechanical, and catalytic properties of materials. In terms of methodology, while 68% of the examined papers rely on a single machine learning model, the remainder employ a range of 2 to 12 models, with Neural Network being the most prevalent choice. However, a notable concern arises as 53% of these papers do not share their dataset, and a staggering 81% do not provide access to their code. Paramount importance of adopting a systematic approach when scrutinizing machine learning methodologies is underscored. Analysis shows lack of consistency and diversity in the methods employed by researchers in the field of alloy development, highlighting the potential for improvement through standardization. The critical analysis of the literature not only reveals prevailing trends and patterns but also shines a light on the inherent limitations within the traditional trial-and-error paradigm

Digital twin of functional gating system in 3D printed molds for sand casting using a neural network

The filling stage is a critical phenomenon in sand casting for making reliable castings. Latest research has demonstrated that for most liquid engineering alloys, the critical meniscus velocity of the melt at the ingate is in the range of 0.4–0.6 m s−1. The work described in this research paper is to use neural network (NN) technology to propose digital twin approach for gating system design that allow to understand and model its performances faster and more reliable than traditional methods. This approach was applied in the case of sand casting of liquid aluminum alloy (EN AC-44200). The approach is based first on a digital representation of filling process to perform the melt flow simulations using a combination of the gating system design parameters, selected as a training cases from Taguchi orthogonal array (OA). The second step of the approach is the data capture of functional gating design system to train up the feed-forward back-propagation NN model. The validation of the well-trained NN model is assessed by interrogating predicted ingate velocity to it and making reliable predictions with high accuracy. The claim is that such digital twin approach is an effective solution to recognize the functional design parameters from the entire filling systems used during casting process

Influence of microstructure on mechanical properties and damage characteristics of Al-Si alloys

Nowadays Al-Si alloys have an increasing share in automobile parts and are seen as a promising material for new structural applications that require an improved strength and fracture resistance. In this respect, the functionality of the alloys is mostly defined by their mechanical performance. The latter, in turn, strongly depends on the microstructure. With respect to the most relevant mechanical properties, tailoring the microstructure more closely to each specific application needs requires a deep understanding of the relations between morphological and mechanical properties of a structure. In this study, an extensive analysis of morphological properties, mechanical behavior and damage characteristics of Al-Si alloys under different loading conditions is conducted and corresponding structure-properties relations are investigated. The limits of 2D characterization of Si morphology and damage in the eutectic structure are discussed. Furthermore, a model for the simulation of a system of dimples on the fracture surface of the eutectic phase is proposed and its application to studying the relation between Si morphology and eutectic fracture toughness is described. The work thus contributes to better understanding of structure-properties relations and developing quantitative methods enabling a microstructure-based prediction of properties without their direct measurements.Heutzutage werden Al-Si-Legierungen zunehmend in der Automobilindustrie eingesetzt und gelten als vielsprechender Strukturwerkstoff für Anwendungen, die erhöhte Festigkeit und Bruchfestigkeit erfordern. Somit wird die Funktionalität der Legierungen meist über ihre mechanischen Eigenschaften definiert, welche wiederum vom Gefüge abhängen. In Bezug auf die wichtigsten mechanischen Eigenschaften erfordert die Einstellung des Gefüges für spezifische Anwendungen ein tiefes Verständnis des Zusammenhangs zwischen den morphologischen und den mechanischen Eigenschaften einer Struktur. In dieser Arbeit wurde eine grundlegende Analyse der morphologischen Eigenschaften, des mechanischen Verhaltens und des Schädigungsverhaltens von Al-Si-Legierungen in verschiedenen Lastsituationen durchgeführt und die entsprechenden Struktur-Eigenschafts-Beziehungen untersucht. Die Grenzen der 2D-Charakterisierung der Silizium-Morphologie und der Schädigung im eutektischen Gefüge werden diskutiert. Darüber hinaus wird ein Modell für die Simulation der Bruchoberfläche der eutektischen Phase vorgeschlagen und seine Anwendung auf die Untersuchung des Zusammenhangs zwischen der Siliziummorphologie und der Bruchzähigkeit des Eutektikums beschrieben. Damit trägt diese Arbeit zu einem besseren Verständnis der Struktur-Eigenschafts-Beziehung bei und zur Entwicklung gefügebasierter Methoden zur quantitativen Vorhersage von Eigenschaften ohne diese direkt messen zu müssen

Welding Processes

Despite the wide availability of literature on welding processes, a need exists to regularly update the engineering community on advancements in joining techniques of similar and dissimilar materials, in their numerical modeling, as well as in their sensing and control. In response to InTech's request to provide undergraduate and graduate students, welding engineers, and researchers with updates on recent achievements in welding, a group of 34 authors and co-authors from 14 countries representing five continents have joined to co-author this book on welding processes, free of charge to the reader. This book is divided into four sections: Laser Welding; Numerical Modeling of Welding Processes; Sensing of Welding Processes; and General Topics in Welding

A Review of the Application of Machine Learning and Data Mining Approaches in Continuum Materials Mechanics

Machine learning tools represent key enablers for empowering material scientists and engineers to accelerate the development of novel materials, processes and techniques. One of the aims of using such approaches in the field of materials science is to achieve high-throughput identification and quantification of essential features along the process-structure-property-performance chain. In this contribution, machine learning and statistical learning approaches are reviewed in terms of their successful application to specific problems in the field of continuum materials mechanics. They are categorized with respect to their type of task designated to be either descriptive, predictive or prescriptive; thus to ultimately achieve identification, prediction or even optimization of essential characteristics. The respective choice of the most appropriate machine learning approach highly depends on the specific use-case, type of material, kind of data involved, spatial and temporal scales, formats, and desired knowledge gain as well as affordable computational costs. Different examples are reviewed involving case-by-case dependent application of different types of artificial neural networks and other data-driven approaches such as support vector machines, decision trees and random forests as well as Bayesian learning, and model order reduction procedures such as principal component analysis, among others. These techniques are applied to accelerate the identification of material parameters or salient features for materials characterization, to support rapid design and optimization of novel materials or manufacturing methods, to improve and correct complex measurement devices, or to better understand and predict fatigue behavior, among other examples. Besides experimentally obtained datasets, numerous studies draw required information from simulation-based data mining. Altogether, it is shown that experiment- and simulation-based data mining in combination with machine leaning tools provide exceptional opportunities to enable highly reliant identification of fundamental interrelations within materials for characterization and optimization in a scale-bridging manner. Potentials of further utilizing applied machine learning in materials science and empowering significant acceleration of knowledge output are pointed out