Advancements in machine learning for material design and process optimization in the field of additive manufacturing

Additive manufacturing technology is highly regarded due to its advantages,such as high precision and the ability to address complex geometric challenges.However,the development of additive manufacturing process is constrained by issues like unclear fundamental principles,complex experimental cycles,and high costs.Machine learning,as a novel artificial intelligence technology,has the potential to deeply engage in the development of additive manufacturing process,assisting engineers in learning and developing new techniques.This paper provides a comprehensive overview of the research and applications of machine learning in the field of additive manufacturing,particularly in model design and process development.Firstly,it introduces the background and significance of machine learning-assisted design in additive manufacturing process.It then further delves into the application of machine learning in additive manufacturing,focusing on model design and process guidance.Finally,it concludes by summarizing and forecasting the development trends of machine learning technology in the field of additive manufacturing.

Application of machine learning in perovskite materials and devices:A review

Metal-halide hybrid perovskite materials are excellent candidates for solar cells and photoelectric devices.In recent years,machine learning(ML)techniques have developed rapidly in many fields and provided ideas for material discovery and design.ML can be applied to discover new materials quickly and effectively,with significant savings in resources and time compared with traditional experiments and density functional theory(DFT)calculations.In this review,we present the application of ML in per-ovskites and briefly review the recent works in the field of ML-assisted perovskite design.Firstly,the advantages of perovskites in solar cells and the merits of ML applied to perovskites are discussed.Secondly,the workflow of ML in perovskite design and some basic ML algorithms are introduced.Thirdly,the applications of ML in predicting various properties of perovskite materials and devices are reviewed.Finally,we propose some prospects for the future development of this field.The rapid devel-opment of ML technology will largely promote the process of materials science,and ML will become an increasingly popular method for predicting the target properties of materials and devices.

Machine learning in metal-ion battery research: Advancing material prediction, characterization, and status evaluation

Metal-ion batteries(MIBs),including alkali metal-ion(Li^(+),Na^(+),and K^(3)),multi-valent metal-ion(Zn^(2+),Mg^(2+),and Al^(3+)),metal-air,and metal-sulfur batteries,play an indispensable role in electrochemical energy storage.However,the performance of MIBs is significantly influenced by numerous variables,resulting in multi-dimensional and long-term challenges in the field of battery research and performance enhancement.Machine learning(ML),with its capability to solve intricate tasks and perform robust data processing,is now catalyzing a revolutionary transformation in the development of MIB materials and devices.In this review,we summarize the utilization of ML algorithms that have expedited research on MIBs over the past five years.We present an extensive overview of existing algorithms,elucidating their details,advantages,and limitations in various applications,which encompass electrode screening,material property prediction,electrolyte formulation design,electrode material characterization,manufacturing parameter optimization,and real-time battery status monitoring.Finally,we propose potential solutions and future directions for the application of ML in advancing MIB development.

Field-assisted machining of difficult-to-machine materials

Difficult-to-machine materials (DMMs) are extensively applied in critical fields such as aviation,semiconductor,biomedicine,and other key fields due to their excellent material properties.However,traditional machining technologies often struggle to achieve ultra-precision with DMMs resulting from poor surface quality and low processing efficiency.In recent years,field-assisted machining (FAM) technology has emerged as a new generation of machining technology based on innovative principles such as laser heating,tool vibration,magnetic magnetization,and plasma modification,providing a new solution for improving the machinability of DMMs.This technology not only addresses these limitations of traditional machining methods,but also has become a hot topic of research in the domain of ultra-precision machining of DMMs.Many new methods and principles have been introduced and investigated one after another,yet few studies have presented a comprehensive analysis and summarization.To fill this gap and understand the development trend of FAM,this study provides an important overview of FAM,covering different assisted machining methods,application effects,mechanism analysis,and equipment design.The current deficiencies and future challenges of FAM are summarized to lay the foundation for the further development of multi-field hybrid assisted and intelligent FAM technologies.

Nontraditional energy-assisted mechanical machining of difficult-to-cut materials and components in aerospace community:a comparative analysis

The aerospace community widely uses difficult-to-cut materials,such as titanium alloys,high-temperature alloys,metal/ceramic/polymer matrix composites,hard and brittle materials,and geometrically complex components,such as thin-walled structures,microchannels,and complex surfaces.Mechanical machining is the main material removal process for the vast majority of aerospace components.However,many problems exist,including severe and rapid tool wear,low machining efficiency,and poor surface integrity.Nontraditional energy-assisted mechanical machining is a hybrid process that uses nontraditional energies(vibration,laser,electricity,etc)to improve the machinability of local materials and decrease the burden of mechanical machining.This provides a feasible and promising method to improve the material removal rate and surface quality,reduce process forces,and prolong tool life.However,systematic reviews of this technology are lacking with respect to the current research status and development direction.This paper reviews the recent progress in the nontraditional energy-assisted mechanical machining of difficult-to-cut materials and components in the aerospace community.In addition,this paper focuses on the processing principles,material responses under nontraditional energy,resultant forces and temperatures,material removal mechanisms,and applications of these processes,including vibration-,laser-,electric-,magnetic-,chemical-,advanced coolant-,and hybrid nontraditional energy-assisted mechanical machining.Finally,a comprehensive summary of the principles,advantages,and limitations of each hybrid process is provided,and future perspectives on forward design,device development,and sustainability of nontraditional energy-assisted mechanical machining processes are discussed.

Estimating the grain size of microgranular material using laser-induced breakdown spectroscopy combined with machine learning algorithms

Recent work has validated a new method for estimating the grain size of microgranular materials in the range of tens to hundreds of micrometers using laser-induced breakdown spectroscopy(LIBS).In this situation,a piecewise univariate model must be constructed to estimate grain size due to the complex dependence of the plasma formation environment on grain size.In the present work,we tentatively construct a unified calibration model suitable for LIBS-based estimation of those grain sizes.Specifically,two unified multivariate calibration models are constructed based on back-propagation neural network(BPNN)algorithms using feature selection strategies with and without considering prior information.By detailed analysis of the performances of the two multivariate models,it was found that a unified calibration model can be successfully constructed based on BPNN algorithms for estimating the grain size in the range of tens to hundreds of micrometers.It was also found that the model constructed with a priorguided feature selection strategy had better prediction performance.This study has practical significance in developing the technology for material analysis using LIBS,especially when the LIBS signal exhibits a complex dependence on the material parameter to be estimated.

An Effective Hybrid Model of ELM and Enhanced GWO for Estimating Compressive Strength of Metakaolin-Contained Cemented Materials

This research proposes a highly effective soft computing paradigm for estimating the compressive strength(CS)of metakaolin-contained cemented materials.The proposed approach is a combination of an enhanced grey wolf optimizer(EGWO)and an extreme learning machine(ELM).EGWO is an augmented form of the classic grey wolf optimizer(GWO).Compared to standard GWO,EGWO has a better hunting mechanism and produces an optimal performance.The EGWO was used to optimize the ELM structure and a hybrid model,ELM-EGWO,was built.To train and validate the proposed ELM-EGWO model,a sum of 361 experimental results featuring five influencing factors was collected.Based on sensitivity analysis,three distinct cases of influencing parameters were considered to investigate the effect of influencing factors on predictive precision.Experimental consequences show that the constructed ELM-EGWO achieved the most accurate precision in both training(RMSE=0.0959)and testing(RMSE=0.0912)phases.The outcomes of the ELM-EGWO are significantly superior to those of deep neural networks(DNN),k-nearest neighbors(KNN),long short-term memory(LSTM),and other hybrid ELMs constructed with GWO,particle swarm optimization(PSO),harris hawks optimization(HHO),salp swarm algorithm(SSA),marine predators algorithm(MPA),and colony predation algorithm(CPA).The overall results demonstrate that the newly suggested ELM-EGWO has the potential to estimate the CS of metakaolin-contained cemented materials with a high degree of precision and robustness.

Applications and potentials of machine learning in optoelectronic materials research:An overview and perspectives

Optoelectronic materials are essential for today's scientific and technological development,and machine learning provides new ideas and tools for their research.In this paper,we first summarize the development history of optoelectronic materials and how materials informatics drives the innovation and progress of optoelectronic materials and devices.Then,we introduce the development of machine learning and its general process in optoelectronic materials and describe the specific implementation methods.We focus on the cases of machine learning in several application scenarios of optoelectronic materials and devices,including the methods related to crystal structure,properties(defects,electronic structure)research,materials and devices optimization,material characterization,and process optimization.In summarizing the algorithms and feature representations used in different studies,it is noted that prior knowledge can improve optoelectronic materials design,research,and decision-making processes.Finally,the prospect of machine learning applications in optoelectronic materials is discussed,along with current challenges and future directions.This paper comprehensively describes the application value of machine learning in optoelectronic materials research and aims to provide reference and guidance for the continuous development of this field.

Machine learning enables intelligent screening of interface materials towards minimizing voltage losses for p-i-n type perovskite solar cells

Interface engineering is proved to be the most important strategy to push the device performance of the perovskite solar cell(PSC) to its limit, and numerous works have been conducted to screen efficient materials. Here, on the basis of the previous studies, we employ machine learning to map the relationship between the interface material and the device performance, leading to intelligently screening interface materials towards minimizing voltage losses in p-i-n type PSCs. To enhance the explainability of the machine learning models, molecular descriptors are used to represent the materials. Furthermore,experimental analysis with different characterization methods and device simulation based on the drift-diffusion physical model are conducted to get physical insights and validate the machine learning models. Accordingly, 3-thiophene ethylamine hydrochloride(Th EACl) is screened as an example, which enables remarkable improvements in VOCand PCE of the PSCs. Our work reveals the critical role of datadriven analysis in the high throughput screening of interface materials, which will significantly accelerate the exploration of new materials for high-efficiency PSCs.

Big Data Creates New Opportunities for Materials Research: A Review on Methods and Applications of Machine Learning for Materials Design

Materials development has historically been driven by human needs and desires, and this is likely to con- tinue in the foreseeable future. The global population is expected to reach ten billion by 2050, which will promote increasingly large demands for clean and high-ef ciency energy, personalized consumer prod- ucts, secure food supplies, and professional healthcare. New functional materials that are made and tai- lored for targeted properties or behaviors will be the key to tackling this challenge. Traditionally, advanced materials are found empirically or through experimental trial-and-error approaches. As big data generated by modern experimental and computational techniques is becoming more readily avail- able, data-driven or machine learning (ML) methods have opened new paradigms for the discovery and rational design of materials. In this review article, we provide a brief introduction on various ML methods and related software or tools. Main ideas and basic procedures for employing ML approaches in materials research are highlighted. We then summarize recent important applications of ML for the large-scale screening and optimal design of polymer and porous materials, catalytic materials, and energetic mate- rials. Finally, concluding remarks and an outlook are provided.

Machine Learning-Assisted High-Throughput Virtual Screening for On-Demand Customization of Advanced Energetic Materials

Finding energetic materials with tailored properties is always a significant challenge due to low research efficiency in trial and error.Herein,a methodology combining domain knowledge,a machine learning algorithm,and experiments is presented for accelerating the discovery of novel energetic materials.A high-throughput virtual screening(HTVS)system integrating on-demand molecular generation and machine learning models covering the prediction of molecular properties and crystal packing mode scoring is established.With the proposed HTVS system,candidate molecules with promising properties and a desirable crystal packing mode are rapidly targeted from the generated molecular space containing 25112 molecules.Furthermore,a study of the crystal structure and properties shows that the good comprehensive performances of the target molecule are in agreement with the predicted results,thus verifying the effectiveness of the proposed methodology.This work demonstrates a new research paradigm for discovering novel energetic materials and can be extended to other organic materials without manifest obstacles.

Recent progress on discovery and properties prediction of energy materials:Simple machine learning meets complex quantum chemistry

In nature,the properties of matter are ultimately governed by the electronic structures.Quantum chemistry(QC)at electronic level matches well with a few simple physical assumptions in solving simple problems.To date,machine learning(ML)algorithm has been migrated to this field to simplify calculations and improve fidelity.This review introduces the basic information on universal electron structures of emerging energy materials and ML algorithms involved in the prediction of material properties.Then,the structure-property relationships based on ML algorithm and QC theory are reviewed.Especially,the summary of recently reported applications on classifying crystal structure,modeling electronic structure,optimizing experimental method,and predicting performance is provided.Last,an outlook on ML assisted QC calculation towards identifying emerging energy materials is also presented.

Quasi-Phase Equilibrium Prediction of Multi-Element Alloys Based on Machine Learning and Deep Learning

In this study,a phase field model is established to simulate the microstructure formation during the solidification of dendrites by taking the Al-Cu-Mg ternary alloy as an example,and machine learning and deep learning methods are combined with the Kim-Kim-Suzuki(KKS)phase field model to predict the quasi-phase equilibrium.The paper first uses the least squares method to obtain the required data and then applies eight machine learning methods and five deep learning methods to train the quasi-phase equilibrium prediction models.After obtaining different models,this paper compares the reliability of the established models by using the test data and uses two evaluation criteria to analyze the performance of these models.This work find that the performance of the established deep learning models is generally better than that of the machine learning models,and the Multilayer Perceptron(MLP)based quasi-phase equilibrium prediction model achieves the best performance.Meanwhile the Convolutional Neural Network(CNN)based model also achieves competitive results.The experimental results show that the model proposed in this paper can predict the quasi-phase equilibrium of the KKS phase-field model accurately,which proves that it is feasible to combine machine learning and deep learning methods with phase-field model simulation.

Machine learning techniques for prediction of capacitance and remaining useful life of supercapacitors: A comprehensive review

Supercapacitors are appealing energy storage devices for their promising features like high power density,outstanding cycling stability,and a quick charge–discharge cycle.The exceptional life cycle and ultimate power capability of supercapacitors are needed in the transportation and renewable energy generation sectors.Hence,predicting the capacitance and lifecycle of supercapacitors is significant for selecting the suitable material and planning replacement intervals for supercapacitors.In addition,system failures can be better addressed by accurately forecasting the lifecycle of SCs.Recently,the use of machine learning for performance prediction of energy storage materials has drawn increasing attention from researchers globally because of its superiority in prediction accuracy,time efficiency,and costeffectiveness.This article presents a detailed review of the progress and advancement of ML techniques for the prediction of capacitance and remaining useful life(RUL)of supercapacitors.The review starts with an introduction to supercapacitor materials and ML applications in energy storage devices,followed by workflow for ML model building for supercapacitor materials.Then,the summary of machine learning applications for the prediction of capacitance and RUL of different supercapacitor materials including EDLCs(carbon based materials),pesudocapacitive(oxides and composites)and hybrid materials is presented.Finally,the general perspective for future directions is also presented.

Machine learning-based stiffness optimization of digital composite metamaterials with desired positive or negative Poisson's ratio

Mechanical metamaterials such as auxetic materials have attracted great interest due to their unusual properties that are dictated by their architectures.However,these architected materials usually have low stiffness because of the bending or rotation deformation mechanisms in the microstructures.In this work,a convolutional neural network(CNN)based self-learning multi-objective optimization is performed to design digital composite materials.The CNN models have undergone rigorous training using randomly generated two-phase digital composite materials,along with their corresponding Poisson's ratios and stiffness values.Then the CNN models are used for designing composite material structures with the minimum Poisson's ratio at a given volume fraction constraint.Furthermore,we have designed composite materials with optimized stiffness while exhibiting a desired Poisson's ratio(negative,zero,or positive).The optimized designs have been successfully and efficiently obtained,and their validity has been confirmed through finite element analysis results.This self-learning multi-objective optimization model offers a promising approach for achieving comprehensive multi-objective optimization.

Constitutive modelling of idealised granular materials using machine learning method

Predicting the constitutive response of granular soils is a fundamental goal in geomechanics.This paper presents a machine learning(ML)framework for the prediction of the stress-strain behaviour and shearinduced contact fabric evolution of an idealised granular material subject to triaxial shearing.The MLbased framework is comprised of a set of mini-triaxial tests which provide a benchmark for the setup and validation of the discrete element method(DEM)model of the granular materials,a parametric DEM simulation programme of virtual triaxial tests which provides datasets of micro-and macro-mechanical information,as well as a multi-layer perceptron(MLP)neural network which is trained and tested using the DEM-based datasets.The ML model only requires the initial void ratio of the granular sample as the input for predicting its constitutive response.The excellent agreement between the ML model prediction and experimental test and DEM simulation results indicates that the MLebased modelling approach is capable of capturing accurately the effects of initial void ratio on the constitutive behaviour of idealised granular materials,bypassing the need to incorporate the complex micromechanics underlying the macroscopic mechanical behaviour of granular materials.Lastly,a detailed comparison between the used MLP model and long short-term memory(LSTM)model was made from the perspective of technical algorithm,prediction accuracy,and computational efficiency.

Machine learning in materials design:Algorithm and application

Traditional materials discovery is in ‘trial-and-error’ mode, leading to the issues of low-efficiency, high-cost, and unsustainability in materials design. Meanwhile, numerous experimental and computational trials accumulate enormous quantities of data with multi-dimensionality and complexity, which might bury critical ‘structure–properties’ rules yet unfortunately not well explored. Machine learning(ML), as a burgeoning approach in materials science, may dig out the hidden structure–properties relationship from materials bigdata, therefore, has recently garnered much attention in materials science. In this review, we try to shortly summarize recent research progress in this field, following the ML paradigm:(i) data acquisition →(ii) feature engineering →(iii) algorithm →(iv) ML model →(v) model evaluation →(vi) application. In section of application, we summarize recent work by following the ‘material science tetrahedron’:(i) structure and composition →(ii) property →(iii) synthesis →(iv) characterization, in order to reveal the quantitative structure–property relationship and provide inverse design countermeasures. In addition, the concurrent challenges encompassing data quality and quantity, model interpretability and generalizability, have also been discussed. This review intends to provide a preliminary overview of ML from basic algorithms to applications.

Design and Performance Analysis of Permanent Magnet Claw Pole Machine with Hybrid Cores

Permanent magnet claw pole machine(PMCPM) is a special kind of transverse flux permanent magnet machine. Compared with other electrical machines, it has the advantages of high torque density and high efficiency for high speed operation. However, because of its complex irregular structure, the manufacturing process using silicon sheets is complicated. Soft magnetic composite material(SMC) is manufactured by powder metallurgy technology, which can produce various shapes of stator core structures, so it is easier to produce various irregular shapes of the stator core. However, the raw SMC material is relatively expensive, and the mechanical strength of SMC is weak. In this paper, a PMCPM with hybrid cores is proposed. With the adoption of hybrid silicon sheet-SMC cores and amorphous alloy-SMC cores, the torque ability of PMCPM can be improved greatly and it can have higher efficiency for more wide operation frequency. Meanwhile, its mechanical strength has been improved and it can be designed for high torque direct drive applications as it is a modular machine. Furthermore, three methods are proposed to reduce the additional eddy current loss which resulted from the employment of hybrid cores in PMCPM.

Leveraging Quantum Computing for the Ising Model to Simulate Two Real Systems: Magnetic Materials and Biological Neural Networks (BNNs)

Quantum computing is a field with increasing relevance as quantum hardware improves and more applications of quantum computing are discovered. In this paper, we demonstrate the feasibility of modeling Ising Model Hamiltonians on the IBM quantum computer. We developed quantum circuits to simulate these systems more efficiently for both closed and open boundary Ising models, with and without perturbations. We tested these various geometries of systems in both 1-D and 2-D space to mimic two real systems: magnetic materials and biological neural networks (BNNs). Our quantum model is more efficient than classical computers, which can struggle to simulate large, complex systems of particles.

Predicting the Mechanical Behavior of a Bioinspired Nanocomposite through Machine Learning

The bioinspired nacre or bone structure represents a remarkable example of tough,strong,lightweight,and multifunctional structures in biological materials that can be an inspiration to design bioinspired high-performance materials.The bioinspired structure consists of hard grains and soft material interfaces.While the material interface has a very low volume percentage,its property has the ability to determine the bulk material response.Machine learning technology nowadays is widely used in material science.A machine learning model was utilized to predict the material response based on the material interface properties in a bioinspired nanocomposite.This model was trained on a comprehensive dataset of material response and interface properties,allowing it to make accurate predictions.The results of this study demonstrate the efficiency and high accuracy of the machine learning model.The successful application of machine learning into the material property prediction process has the potential to greatly enhance both the efficiency and accuracy of the material design process.