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RESEARCH PAPER · Computational Materials Science · 2018

Integrated computational materials engineering for advanced materials: A brief review

William Yi Wang, Jinshan Li, Weimin Liu, Zi‐Kui Liu

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Integrated computational materials engineering for advanced materials: A brief reviewOriginalEducational tools to teach design students the dynamic behaviours of smart materials3Simultaneously enhanced strength and ductility of 6xxx Al alloys via manipulating meso-scale and nano-scale structures guided with phase equilibrium63High throughput experiment assisted discovery of new Ni-base superalloys72On the elaboration of the next generation of thermodynamic models of solid solutions4Uncertainty Quantification and Propagation in Computational Materials Science and Simulation-Assisted Materials Design71A brief review of data-driven ICME for intelligently discovering advanced structural metal materials: Insight into atomic and electronic building blocks36An overview of tailoring strain delocalization for strength-ductility synergy536DID Code: A Bridge Connecting the Materials Genome Engineering Database with Inheritable Integrated Intelligent Manufacturing11Recent Advances on the Design Automation for Performance-Optimized Fiber Reinforced Polymer Composite Components35A First‐Principles‐Based Sub‐Lattice Formalism for Predicting Off‐Stoichiometry in Materials for Solar Thermochemical Applications: The Example of Ceria17Basic Framework for Computer-Aided Engineering of Polished Ceramic Surface Layers15Basics of computer engineering surface layer of polished ceramics15Understanding Plant Biomass via Computational Modeling73Integrating data mining and machine learning to discover high-strength ductile titanium alloys190An integrated computational materials engineering framework to analyze the failure behaviors of carbon fiber reinforced polymer composites for lightweight vehicle applications104Boosting for concept design of casting aluminum alloys driven by combining computational thermodynamics and machine learning techniques32Challenges in Computational Materials Modelling and Simulation. A Case-Study to Predict Tissue Paper Properties12Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learning57Modelling of phase stability: integrating computational materials science and materials informatics3Bayesian Calibration of Expensive Computer Experiments1Computational modelling of process–structure–property–performance relationships in metal additive manufacturing: a review172Simulation of foamed concrete compressive strength prediction using adaptive neuro-fuzzy inference system optimized by nature-inspired algorithms18Introducing digital twins to agriculture647Editorial: Data-Driven Integrated Computational Materials Engineering for High-Entropy Materials2Prediction of Mechanical Properties of Wrought Aluminium Alloys Using Feature Engineering Assisted Machine Learning Approach62Perspectives of using machine learning in laser powder bed fusion for metal additive manufacturing185Optimization of Magnesium Alloy Casting Process: An Integrated Computational Materials Engineering (ICME) Approach7Integrative simulation chain for improved components design: linking mould filling and structural simulations0A damage-effect-involved phenomenological crystal plasticity model and computational methods for mechanical responses of FeCrAl alloys19Coupling effects of high magnetic field and annealing on the microstructure evolution and mechanical properties of additive manufactured Ti–6Al–4V34Scratch behavior of reinforced HDPE through molecular dynamics simulations0Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory13A machine learning accelerated distributed task management system (Malac-Distmas) and its application in high-throughput CALPHAD computation aiming at efficient alloy design44Thermodynamic assessment of the Fe–Ni–Rh–Ti system3Application of Artificial Intelligence in the Design of HEMs0Big data-assisted digital twins for the smart design and manufacturing of advanced materials: from atoms to products29Computational intelligence based design of biomaterials15In Situ Experiments: Paving Ways for Rapid Development of Structural Metallic Materials for a Sustainable Future2A case for establishment of the Ferrous Materials Development Network (FMDN) in South Africa0900 °C oxidation resistance of Ni-base superalloys alloyed with different refractory elements39Solidification Calculations of Precious Alloys and Al-Base Alloys for Additive Manufacturing5Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations52Discovery and prediction capabilities in metal-based nanomaterials: An overview of the application of machine learning techniques and some recent advances47A three-dimensional geometrical model for the microstructure of additively manufactured metals0Prediction of Hardenability Curves for Non-Boron Steels via a Combined Machine Learning Model14Materials Data toward Machine Learning: Advances and Challenges62New-Age Al-Cu-Mn-Zr (ACMZ) Alloy for High Temperature-High Strength Applications: A Review2On systematic development of FSI solvers in the context of particle methods67Molecular Modeling in Anion Exchange Membrane Research: A Brief Review of Recent Applications29Post-processing of additively manufactured metallic alloys – A review244Study on the strengthening mechanism of rare earth yttrium on magnesium alloys52High-Throughput Computing Assisted by Knowledge Graph to Study the Correlation between Microstructure and Mechanical Properties of 6XXX Aluminum Alloy15Microstructurally informed viscoplastic simulations to optimize manufacturing of a nuclear grade stainless steel0Utility analysis of digital villages to empower balanced urban-rural development based on the three-stage DEA-Malmquist model35Investigation of microstructural and mechanical properties of hot forged 31Mn4 dual phase steel with computer-aided simulations0Crystal plasticity finite element modeling of twin band formation and evolution together with the macroscale mechanical responses of hexagonal metals11Digital Twin Assistant Active Design and Optimization of Steel Mega-Sub Controlled Structural System under Severe Earthquake Waves2Integrated Computational Materials Engineering for Advanced Automotive Technology: With Focus on Life Cycle of Automotive Body Structure21Application of Deep Learning in Materials Design: Extraction of Process-Structure-Property Relationship0Digital twins for cutting processes65Introduction0Modern Coating Processes and Technologies8The Problem of Epistemic Debt in Iterative Materials AI Pipelines0The use of molecular electronic structure methods to investigate mechanically interlocked molecules6Integration of Physics-based Models and In-situ Process Monitoring for Predicting Variability Associated with Liquid Composites Molding1Revealing the Materials Genome of Superhard High-Entropy Diborides via the Hybrid Data-driven and Knowledge-enabled Model0Building a quantitative composition-microstructure-property relationship of dual-phase steels via multimodal data mining103Investigation of metallurgical properties of Al-Si-Mg casting alloys with integrated computational materials engineering for wheel production1Discovering superhard high‐entropy diboride ceramics via a hybrid data‐driven and knowledge‐enabled model13Computational Materials Design for Ceramic Nuclear Waste Forms Using Machine Learning, First-Principles Calculations, and Kinetics Rate Theory11Development and industrial application of integrated computational materials engineering6Digital Twin Certified: Employing Virtual Testing of Digital Twins in Manufacturing to Ensure Quality Products52In pursuit of a suitable machine learning algorithm for hardness prediction of aluminium alloy3Classification of T6 Tempered 6XXX Series Aluminum Alloys Based on Machine Learning 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materials characterization22First‐principles studies on physical properties for new half‐metallic perovskites AFeO3 (A = Ca, Sr, Ba): Spintronics and energy harvesting applications14Induction of breast cancer cell apoptosis by novel thiouracil-fused heterocyclic compounds through boosting of Bax/Bcl-2 ratio and DFT study15Machine Learning in Biomaterials, Biomechanics/Mechanobiology, and Biofabrication: State of the Art and Perspective60Crystal plasticity quantification of anisotropic tensile and fatigue properties in laser powder bed fused Inconel 718 superalloy31Al3Zr nanophase-enabled anti-corrosion mechanisms in high-strength Al alloy by scalable micro-alloying design28RETRACTED ARTICLE: Design and analysis of composite brake disc and crystal plasticity modelling of composite Al–15Mg2Si–4.5Si0Big data, machine learning, and digital twin assisted additive manufacturing: A review208Design of mechanically intelligent structures: Review of modelling stimuli-responsive materials for 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optimization for materials discovery in high entropy alloy spaces20Materials Engineering and Artificial Intelligence Innovations: A Comprehensive Review3Importance of Hyper-Parameter Optimization During Training of Physics-Informed Deep Learning Networks6Towards defect-free lattice structures in additive manufacturing: A holistic review of machine learning advancements29Advancing durability in the energy sector: Novel high-temperature resistant coatings and their challenges14A particle-based approach for the prediction of grain microstructures in solidification processes0Machine learning pipeline for Structure–Property modeling in Mg-alloys using microstructure and texture descriptors23The synergy of machine learning and CALPHAD: Revitalizing traditional approaches16Hydrogen adsorption on germanene doped with Sn, V, Ti, Zn, and Cu and decorated with K, Li, and Mg. A DFT study10Applications of Artificial Intelligence in the Designing of Civil Megastructures1Additive Manufacturing of Biodegradable Metallic Implants by Selective Laser Melting: Current Research Status and Application Perspectives18Multiscale computational framework linking alloy composition to microstructure evolution via machine learning and nanoscale analysis6Review on advanced machining methods for components with complex surfaces and structures produced by additive manufacturing6Materials Maturity Levels: A Systematic Approach to Evaluating Materials Development3The role of allotropy on phase formation in high entropy alloys2Hydrogen adsorption on alkali and alkaline earth functionalized silicene: A first-principles and kinetic modeling study5Additive Manufacturing of Hot‐Work Tool Steel by In Situ Alloying Using Laser Powder Bed Fusion and Directed Energy Deposition—Strategies to Improve Chemical Homogeneity2From prediction of personalized metabolic responses to foods to computational nutrition: Concepts of an emerging interdisciplinary field13

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  50. Post-processing of additively manufactured metallic alloys – A review

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