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Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing

Huaiwei Shi, Teng Zhou

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 1,   Pages 49-59 doi: 10.1007/s11705-020-1959-0

Abstract: Considering their significant effects, systematic methods for the optimal selection and design of materialsThe conventional synthesis-and-test method for materials development is inefficient and costly.methods have been significantly developed and they now become a very important tool for the optimal designof functional materials for various chemical processes.Theoretical methods and representative works for computational screening and design of these materials

Keywords： heterogeneous catalyst     gas separation     solvent     porous adsorbent     material screening and design    

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A review on membrane distillation in process engineering: design and exergy equations, materials and

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 5,   Pages 592-613 doi: 10.1007/s11705-021-2105-3

Abstract: and heat transport phenomena, membrane wetting, polarization phenomena and have encouraged the use of materials

Keywords： membrane distillation     recent developments     heat and mass transfer     wetting     membrane material    

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Qian Xuesen and Materials Design

Yu Qiao

Strategic Study of CAE 2002, Volume 4, Issue 5,   Pages 1-6

Abstract:

A brief introduction of the ideas, theories, hierarchical structure, methods, and systems of materialsdesign initiated and promoted actively by famous scientist Qian Xuesen in recent 20 years is presentedAfter a sustained effort contributed by the “863” Program expert team, materials design has

Keywords： Qian Xuesen     materials design     atom and molecular engineering     materials science and materials technology    

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

Teng Zhou, Zhen Song, Kai Sundmacher

Engineering 2019, Volume 5, Issue 6,   Pages 1017-1026 doi: 10.1016/j.eng.2019.02.011

Abstract:

Materials development has historically been driven by human needs and desires, and this is likelydata-driven or machine learning (ML) methods have opened new paradigms for the discovery and rational designof materials.We then summarize recent important applications of ML for the large-scale screening and optimal designof polymer and porous materials, catalytic materials, and energetic materials.

Keywords： Big data     Data-driven     Machine learning     Materials screening     Materials design    

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General Optimization Design Research of Metallic Materials to Resist Cavitation Erosion and Abrasion

Wang Biao,Zhang Zihua,Wang Yudong

Strategic Study of CAE 2000, Volume 2, Issue 2,   Pages 64-67

Abstract:

For the design optimization of erosion and abrasion resisting metallic materials basic study and productivelyapplied researche indicates that thermal sprayed WC- M hard faced ceramics in the tungsten parental materials, rare earth plating chromium in the chromium parental materials, and CoCrWC hard faced ceramic in thecobalt parental materials are better erosion and abrasion resisting materials with high performance

Keywords： hydraulic turbine     cavitation erosion and abrasion materials     design    

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A “Sequential Design of Simulations” approach for exploiting and calibrating discrete element simulations

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 6,   Pages 874-885 doi: 10.1007/s11705-021-2131-1

Abstract: particles in the ring shear test were simulated and examined using discrete element method guided by a designA full factorial design was used as a screening design to reveal the effects of material properties ofAn augmented design extending the screening design to a response surface design was constructed to establishconsolidation conditions, which verifies the advantages and feasibility of using the proposed “Sequential Design

Keywords： discrete element method     cohesive materials     parameter calibration     ring shear cell     design of experiments    

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Materials-oriented integrated design and construction of structures in civil engineering—A review

Frontiers of Structural and Civil Engineering 2022, Volume 16, Issue 1,   Pages 24-44 doi: 10.1007/s11709-021-0794-9

Abstract: Integrated design is one type of design philosophy that takes an interdisciplinary and holistic approachMaterial-oriented integrated design and construction of structures (MIDCS) combine materials engineeringand structural engineering in the design stage: it fully utilizes the strengths of materials by selectingAdditionally, advanced material design methods such as bioinspired design and structure constructiontechnology of additive manufacturing are briefly reviewed and discussed to demonstrate how MIDCS can combine materials

Keywords： integrated design and construction     fiber-reinforced concrete     fiber-reinforced polymer     light-weight    

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Data Centric Design: A New Approach to Design of Microstructural Material Systems Article

Wei Chen, Akshay Iyer, Ramin Bostanabad

Engineering 2022, Volume 10, Issue 3,   Pages 89-98 doi: 10.1016/j.eng.2021.05.022

Abstract:

Building processing, structure, and property (PSP) relations for computational materials design isat the heart of the Materials Genome Initiative in the era of high-throughput computational materialsacquisition and storage, microstructure characterization and reconstruction (MCR), machine learning (ML), materialsrepresentation, design evaluation, and design synthesis.discovery and design.

Keywords： Materials informatics     Machine learning     Microstructure     Reconstruction     Bayesian optimization     Mixed-variablemodeling     Dimension reduction     Materials design    

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Recent progress in the design and fabrication of MXene-based membranes

Kai Qu, Kang Huang, Zhi Xu

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 4,   Pages 820-836 doi: 10.1007/s11705-020-1997-7

Abstract: Two-dimensional membranes have attracted significant attention due to their superior characteristics, and their ability to boost both flux and selectivity have led to their reputation as potential next-generation separation membranes. Among them, emerging MXene-based membranes play significant roles in the competitive membrane-separation field. In this mini-review, we systematically discuss the assembly and separation mechanisms of these membranes. Moreover, we highlight strategies based on the crosslinking of MXene nanosheets and the construction of additional nanochannels that further enhance the permeabilities and anti-swelling properties of MXene-based membranes and meet the requirements of practical applications, such as gas-molecule sieving, ion sieving, and other small-molecule sieving. MXene nanosheets can also be used as additives that introduce specific functionalities into hybrid membranes. In addition, extended applications that use MXenes as scaffolds are also discussed.

Keywords： MXene     2D materials     membranes     separation    

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Design and Fabrication of Multiphase Composite Ceramic Tool Materials

Xu Chonghai,Ai Xing

Strategic Study of CAE 2001, Volume 3, Issue 3,   Pages 71-74

Abstract:

The multiphase composite and the computer aided design of the ceramics are two significant trendsin the development of the advanced ceramic materials in the 21st century.properties, which proves that the method proposed in the present study is reasonable and feasible for the designof multiphase composite ceramic tool materials.

Keywords： ceramic tool material     multiphase composite     material design     model     mechanical property    

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Steel Bridges in China

Pan Jiyan

Strategic Study of CAE 2007, Volume 9, Issue 7,   Pages 18-26

Abstract:

This paper contains a brief introduction of the development of the steel bridges at home and abroad. It also introduces the characteristic requiremens of the material used in steel bridges.

Keywords： steel brigde in China     steel materials     design of steel brigde     structure of steel bridge    

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An Intelligent Manufacturing Platform of Polymers: Polymeric Material Genome Engineering Perspective

Liang Gao, Liquan Wang, Jiaping Lin, Lei Du

Engineering 2023, Volume 27, Issue 8,   Pages 31-36 doi: 10.1016/j.eng.2023.01.018

Abstract:

Polymeric materials with excellent performance are the foundation for developing high-level technologygenome engineering (PMGE) is becoming a vital platform for the intelligent manufacturing of polymeric materialsengineering applications of PMGE are discussed, including the fields of advanced composites, polymeric materials

Keywords： Polymeric materials     Materials genome approach     Machine learning     Property prediction     Rational design    

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Study on the Nonlinear Characteristics of Cutting Forces in High-speed Face-milling of Difficult-to-cut Materials

Long Zhenhai,Wang Xibin,Wang Haochen

Strategic Study of CAE 2004, Volume 6, Issue 10,   Pages 28-31

Abstract:

Factorials experiment and velocity single-factor experiment are applied in the dry high-speed milling experiments of Martensitic stainless steel 2Crl3, which is used in aerospace industry. Based on the analysis of cutting regimes, influences on milling force, the spectrum analysis and wavelet analysis are applied on the random cutting force signals. This study shows that in high speed milling of Martensitic stainless process, the interaction of depth of cut and feed per tooth has significant effect on the cutting force; the interaction of feed per tooth and depth of cut introduces a lower frequency periodic signal; this low frequency signal coupled with high frequency signal could remarkably increase the amplitude of cutting force signals.

Keywords： difficult-to-cut materials     high speed machining     factorials design     Meyer wavelet transform     Mallat algorithm    

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Design of noise-reduction seats for high-speed trains

Xiaojun DENG, Yanju ZHAO, Haijin ZHANG, Renzhong SHUAI, Leiwei ZHU

Frontiers of Mechanical Engineering 2018, Volume 13, Issue 3,   Pages 385-389 doi: 10.1007/s11465-017-0438-x

Abstract: In this study, a new noise-reduction seat design was proposed for high-speed trains, which have uniquethe noise-reduction seat models were fabricated, the parameters of high-performance sound-absorbing materials

Keywords： high-speed train     sound-absorbing materials     perforated board     noise-reduction seats    

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Hierarchically porous zeolites synthesized with carbon materials as templates

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 6,   Pages 1444-1461 doi: 10.1007/s11705-021-2090-6

Abstract: From both industrial and scientific perspectives, different carbon materials have been widely employedIn this review, the progress in synthetic strategies using carbon materials as templates is comprehensivelyDirect templates methods, by which the carbon materials are directly mixed with precursors gel as hard

Keywords： hierarchical zeolites     carbon materials     direct templates     indirect templates     carbon-silica composites    

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Title Author Date Type Operation

Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing

Huaiwei Shi, Teng Zhou

Journal Article

A review on membrane distillation in process engineering: design and exergy equations, materials and

Journal Article

Qian Xuesen and Materials Design

Yu Qiao

Journal Article

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

Teng Zhou, Zhen Song, Kai Sundmacher

Journal Article

General Optimization Design Research of Metallic Materials to Resist Cavitation Erosion and Abrasion

Wang Biao,Zhang Zihua,Wang Yudong

Journal Article

A “Sequential Design of Simulations” approach for exploiting and calibrating discrete element simulations

Journal Article

Materials-oriented integrated design and construction of structures in civil engineering—A review

Journal Article

Data Centric Design: A New Approach to Design of Microstructural Material Systems

Wei Chen, Akshay Iyer, Ramin Bostanabad

Journal Article

Recent progress in the design and fabrication of MXene-based membranes

Kai Qu, Kang Huang, Zhi Xu

Journal Article

Design and Fabrication of Multiphase Composite Ceramic Tool Materials

Xu Chonghai,Ai Xing

Journal Article

Steel Bridges in China

Pan Jiyan

Journal Article

An Intelligent Manufacturing Platform of Polymers: Polymeric Material Genome Engineering

Liang Gao, Liquan Wang, Jiaping Lin, Lei Du

Journal Article

Study on the Nonlinear Characteristics of Cutting Forces in High-speed Face-milling of Difficult-to-cut Materials

Long Zhenhai,Wang Xibin,Wang Haochen

Journal Article

Design of noise-reduction seats for high-speed trains

Xiaojun DENG, Yanju ZHAO, Haijin ZHANG, Renzhong SHUAI, Leiwei ZHU

Journal Article

Hierarchically porous zeolites synthesized with carbon materials as templates

Journal Article