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RESEARCH PAPER · Chemistry of Materials · 2020

Rational Design of Heat-Resistant Polymers with Low Curing Energies by a Materials Genome Approach

Junli Zhu, Ming Chu, Zuowei Chen, Liquan Wang, Jiaping Lin, Lei Du

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Rational Design of Heat-Resistant Polymers with Low Curing Energies by a Materials Genome ApproachOriginalCross-Linking Agents for Enhanced Performance of Thermosets Prepared via Frontal Ring-Opening Metathesis Polymerization72A theoretical insight into the curing mechanism of phthalonitrile resins promoted by aromatic amines44Effect of curing reaction types on the structures and properties of acetylene-containing thermosets: towards optimization of curing procedure5Thermal curing mechanism of acetylene-terminated polyimides: A combination of density functional theory computation and microkinetic analysis14Highly heat‐resistant branched silicon‐containing arylacetylene resins with low curing temperature15Network structure and properties of crosslinked bio-based epoxy resin composite: An in-silico multiscale strategy with dynamic curing reaction process22A high-performance silicon-containing arylacetylene resin with conjugated naphthalene rings6Machine Learning and Structural Design to Optimize the Flame Retardancy of Polymer Nanocomposites with Graphene Oxide Hydrogen Bonded Zinc Hydroxystannate47Review of machine learning‐driven design of polymer‐based dielectrics50Laser cladding of Fe-based corrosion and wear-resistant alloy: Genetic design, microstructure, and properties74Developing non‐halogen and non‐phosphorous flame retardant bismaleimide resin with high thermal resistance and high toughness through building crosslinked network with Schiff base structure24Exploring polymer precursors for low-cost high performance carbon fiber: A materials genome approach to finding polyacrylonitrile-co-poly(N-vinyl formamide)20Coarse-grained Dynamics Simulation in Polymer Systems: from Structures to Material Properties14Epoxy-modified silicone resin based N/P/Si synergistic flame-retardant coating for wood surface69Design of silicon-containing arylacetylene resins aided by machine learning enhanced materials genome approach58Preparation and ablative behaviors of carbon fiber‐reinforced polydimethylsiloxane‐co‐poly(silylene acetylenearyleneacetylene) composites2Design of new benzoxazines with excellent thermal stability and processability using the “gold panning” method17Data and Machine Learning in Polymer Science25An adaptive framework to accelerate optimization of high flame retardant composites using machine learning41Ring Repeating Unit: A Deterministic Structure Representation of Polymers for Property Predictions0Machine-Learning-Assisted Design of Highly Tough Thermosetting Polymers76Discovery of thermosetting polymers with low hygroscopicity, low thermal expansivity, and high modulus by machine learning35Efficiently predicting and synthesizing intrinsic highly fire-safe polycarbonates with processability10Exception search in databases for polymers with practically contradictory properties of heat resistance and transparency1Molecular-level insight into the low- k properties and regulatory mechanisms of polybenzoxazines12Ring Repeating Unit: An Upgraded Structure Representation of Linear Condensation Polymers for Property Prediction22Silicon-containing poly(diethynylbenzene-dipropargyl ether of bisphenol A)s：copolymerization, properties and their composites1Quantitative structure-property relationship (QSPR) framework assists in rapid mining of highly Thermostable polyimides21Computer-Aided Screening of Benzoxazines with High Thermal Stability and Good Processability17Material genome approach-based design of multi-functional self-curing epoxy resin with intrinsic flame retardancy and ultra-high modulus24Intelligent Biomaterialomics: Molecular Design, Manufacturing, and Biomedical Applications51An Intelligent Manufacturing Platform of Polymers: Polymeric Material Genome Engineering20Exploring the impact of backbone architecture on the thermal decomposition of silicon-containing arylacetylene resins9The Future Development of High‐temperature Polymer Dielectrics0Condensed matter chemistry in polymer materials0A novel laser cladding AlMgZnCuErZr alloy: Material genetic design, strengthening andtoughening mechanisms17Machine-learning-assisted multiscale modeling strategy for predicting mechanical properties of carbon fiber reinforced polymers94Thermal Oxidation Behavior and Mechanisms for Silicon-Containing Arylacetylene Resins: Experimental and Reactive Force Field Molecular Dynamics Simulations12Machine learning assisted analysis and prediction of rubber formulation using existing databases14Leveraging data‐driven strategy for accelerating the discovery of polyesters with targeted glass transition temperatures12Machine Learning-Assisted Design of Advanced Polymeric Materials146Thermal curing mechanisms and cross-linking network structure of a novel silicon-containing arylacetylene resin with 2,7-diethynylnaphthalene unit6Effects of π-π interactions on the rheological and heat-resistant behaviors of silicon-containing arylacetylene resins: A molecular dynamics simulation6Design of Co‐Cured Multi‐Component Thermosets with Enhanced Heat Resistance, Toughness, and Processability via a Machine Learning Approach13Discovery of Copolymer Resins with Optimal Viscosity–Toughness–Heat Resistance Trade-Offs via the Material Genome Approach10Impacts of Vinyl Group on the Diffusion and Thermal Properties of Branched Silicon-Containing Arylacetylene Resins by Molecular Dynamics Simulations0Nanotechnology safety in the marine industry1Machine Learning Approaches in Polymer Science: Progress and Fundamental for a New Paradigm86New opportunity: Materials genome strategy for engineered cementitious composites (ECC) design69Design of Thermosetting Polymers with High Thermal Stability and Enhanced Processability via ML-assisted Material Genome Approach5Data‐Driven Design of High‐Performance Polyimides With Enhanced Heat Resistance and Dielectric Properties15Discovery of Trade-Off Performance Frontiers of Cross-Linking Polymers through Artificial Intelligence-Driven Multiobjective Bayesian Optimization6Dendritic silicon-containing arylacetylene resin with low curing temperature and high heat resistance0Data-efficient Machine Learning for Polymer Informatics11Machine-learning-assisted Materials Genome Approach for Designing High-performance Thermosetting Polyimides6Trident-chain architectonics in polyurea organogels for ultra-stretchable multifunctional E-skins2Deep learning mechanism and its application in biomacromolecules1Catalyst-Free Low-Temperature Melt Processable Polyimide Resin with Exceptional Thermal Stability6Fabrication of low-temperature curing polyimides with extraordinary thermal stability through radical-diluent assisted construction of interpenetrating network1Graph-Based Machine Learning Identifies Oxygenated Block Polymer Replacements for Conventional Plastics and Elastics1Enhanced thermal stability and char formation in nitrile-modified benzoxazines: From molecular design to flame-resistant composites5Calcium-based MOF Synergistic with Aluminum Diethylphosphinate/Melamine Polyphosphate Flame Retardant Epoxy Resin0Simulation-assisted design of copolymerized silicon-containing arylacetylene resins for balanced processability and thermal stability0

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  2. A theoretical insight into the curing mechanism of phthalonitrile resins promoted by aromatic amines

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  3. Effect of curing reaction types on the structures and properties of acetylene-containing thermosets: towards optimization of curing procedure

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  4. Thermal curing mechanism of acetylene-terminated polyimides: A combination of density functional theory computation and microkinetic analysis

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