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Toward tunable shape memory effect of NiTi alloy by grain size engineering:A phase field study

Journal of Materials Science & Technology 2024年第1期168卷 276-289页

作者： Bo Xu Chong Wang qingyuan Wang Failure Mechanics and Engineering Disaster Prevention Key Laboratory of Sichuan ProvinceSichuan UniversityChengdu 610065China Department of Mechanical Science and Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Key Laboratory of Deep Underground Science and Engineering (Sichuan University)Ministry of EducationChengdu 610065China

The inelastic deformations of shape memory alloys(SMAs)always show poor controllability due to the avalanche-like martensite transformation,and the effective control for the deformation of precision de-vices has been not yet mature.In this work,the phase field method was used to investigate the shape memory effects(SMEs)of NiTi SMAs undergoing grain size(GS)engineering,to obtain tunable one-way and stress-assisted two-way SMEs(OWSME and SATWSME).The OWSME and SATWSME of the systems with various gradient-nanograin structures and bimodal grain structure,as well as that with geometric gradients were simulated.The simulated results indicate that due to the GS dependences of martensite transformation and reorientation,the occurrence and expansion of martensite reorientation,martensite transformation and its reverse can be efficaciously controlled via the GS engineering.When combining the GS engineering and geometric gradient design,since the effects of GS and stress gradient can be su-perimposed or competing,and the responses of martensite reorientation,martensite transformation and its reverse to this are different,the OWSME and SATWSME of the geometrically graded systems with various nanograin structures can exhibit different improvements in controllability.In short,the reorienta-tion hardening modulus during OWSME is increased and the transformation temperature window during SATWSME is widened by GS engineering,indicating the improved controllability of SMEs.The optimal GS engineering schemes revealed in this work provide the basic reference and guidance for designing tun-able SMEs and producing NiTi-based driving devices catering to desired functional performance in various engineering fields.

关键词： Phase field NiTi Shape memory effect Grain size engineering Geometric gradient

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Effect of Texture on the Grain-Size-Dependent Functional Properties of NiTi Shape Memory Alloys and Texture Gradient Design:A Phase Field Study

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Acta Mechanica Solida Sinica 2024年第1期37卷 10-32页

作者： Bo Xu Beihai Huang Chong Wang qingyuan Wang Failure Mechanics and Engineering Disaster Prevention Key Laboratory of Sichuan ProvinceSichuan UniversityChengdu 610065China Department of Mechanical Science and Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Key Laboratory of Deep Underground Science and Engineering Ministry of EducationSichuan UniversityChengdu 610065China

Texture is inevitably introduced during the manufacturing of most NiTi shape memory alloys(SMAs),and the textured nanocrystalline NiTi has been extensively employed in engineering.However,the effect of texture,and the joint effect of grain size(GS)and texture on the functional properties of NiTi SMAs and the corresponding microscopic mechanisms have not been clearly understood yet.In this work,based on the phase field method,the effect of texture on the GS-dependent functional properties of NiTi SMAs,including super-elasticity(SE),one-way shape memory effect(OWSME),and stress-assisted two-way shape memory effect(SATWSME),is investigated,and the corresponding microscopic mechanisms are revealed.Moreover,the samples with discrete geometrical gradients and/or texture gradients are designed to achieve graded functional properties.The simulation results indicate that the dependence of functional properties on texture is due to the effect of crystallographic orientation on martensite transformation and reorientation,which can lead to different inelastic strains.In the designed samples with texture gradients,the stress–strain responses of sheets with various textures are different,allowing for the coordination of overall deformation of the sample by combining such sheets,with varying inelastic deformation degrees.Thus,the overall response of the sample differs from that without texture gradient,leading to the achievement of graded functional properties.The simulation results and new findings in this work contribute to a deeper understanding of the effects of texture,GS,and their interaction on the functional properties of SMAs,and provide valuable reference for the design and development of SMA-based devices with desired functional properties.

关键词： Phase field NiTi shape memory alloy Texture Grain size Functional property Texture gradient

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Supported Atomically Dispersed Pd Catalyzed Direct Alkoxylation and Allylic Alkylation

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Chinese Journal of Chemistry 2024年第7期42卷 719-724页

作者： Ruixuan Qin Ziwen Chen qingyuan Wu Nanfeng Zheng Pengxin Liu New Cornerstone Science Laboratory State Key Laboratory for Physical Chemistry of Solid SurfacesCollaborative Innovation Center of Chemistry for Energy Materialsand National&Local Joint Engineering Research Center of Preparation Technology of NanomaterialsCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamenFujian 361005China Innovation Laboratry for Scences and Technoogies of Energy Materials of Fujan Province(IKKM) Xiamen Fujian 361102China School of Physical Science and Technology Shanghai Tech UniversityShanghai 201210China Fujian Key Laboratory of Rare-earth Functional Materials Fujian Shanhai Collaborative Innovation Center of Rare-earth Functional MaterialsLongyanFujian 366300China

A new approach to allylic alkylation is realized using an atomically dispersed palladium catalyst(Pd1/TiO2-EG).Unlike conventional methods that require derivation of substrates and utilization of additives,this method allows for direct allylic alkylation from allylic alcohols,producing H2O as the sole by-product.The catalyst's high efficiency is attributed to the local hydrogen bonding at the or-ganic-inorganic interface(Pd-EG interface),facilitating hydroxyl group activation forη3π-allyl complex formation.The system demonstrates successful direct C—O and C—C coupling reactions with high selectivity,requiring no additives.This study highlights the potential of supported atomically dispersed catalysts for greener and more efficient catalysis,meanwhile,offers unique insights into the distinct behavior of atomically dispersed catalysts in comparison to homogeneous or nanoparticle-based catalysts.

关键词： Atomically dispersed catalyst Alkylation C—C coupling Organic-inorganic Interface Hydrogen bond Tsuji-Trost reaction Green catalysis

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Bioinspired Additive Manufacturing of Hierarchical Materials: From Biostructures to Functions

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Research 2024年第1期2023卷 533-559页

作者： Jingjiang Wei Fei Pan Hang Ping Kun Yang Yanqing Wang qingyuan Wang Zhengyi Fu Institute for Advanced Materials Deformation and Damage from Multi-Scale Institute for Advanced StudyChengdu UniversityChengdu 610106P.R.China Department of Chemistry University of BaselBasel 4058Switzerland State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070P.R.China College of Polymer Science and Engineering Sichuan UniversityChengdu 610065P.R.China

Throughout billions of years,biological systems have evolved sophisticated,multiscale hierarchical structures to adapt to changing environments.Biomaterials are synthesized under mild conditions through a bottom-up self-assembly process,utilizing substances from the surrounding environment,and meanwhile are regulated by genes and proteins.Additive manufacturing,which mimics this natural process,provides a promising approach to developing new materials with advantageous properties similar to natural biological materials.This review presents an overview of natural biomaterials,emphasizing their chemical and structural compositions at various scales,from the nanoscale to the macroscale,and the key mechanisms underlying their properties.Additionally,this review describes the designs,preparations,and applications of bioinspired multifunctional materials produced through additive manufacturing at different scales,including nano,micro,micro-macro,and macro levels.

关键词： materials structures utilizing

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Molecular Dynamics Simulations of Displacement Cascade in Ni-Based Concentrated Solid Solution Alloys

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Acta Mechanica Solida Sinica 2024年第1期37卷 82-89页

作者： Chaoquan Zhao Rongxuan Xie Chuanlong Xu Xiaobao Tian qingyuan Wang Wentao Jiang Haidong Fan Department of Mechanics Sichuan UniversityChengdu 610065China

Single-phase concentrated solid solution alloys(SP-CSAs),including high-entropy alloys,have received extensive attention due to their excellent irradiation resistance.In this work,displacement cascade simulations are conducted using the molecular dynamics method to study the evolution of defects in Ni-based SP-CSAs.Compared with pure Ni,the NiCr,NiCo,and NiCu alloys exhibit a larger number of Frankel pairs(FPs)in the thermal peak stage,but a smaller number of surviving FPs.However,the NiFe alloy displays the opposite phenomenon.To explain these different observations for NiFe and other alloys,the formation energy and migration energy of interstitials/vacancies are calculated.In the NiFe alloy,both the formation energy and migration energy barrier are higher.On the other hand,in NiCr and other alloys,the formation energy of interstitials/vacancies is lower,as is the migration energy barrier of interstitials.The energy analysis agrees well with previous observations.The present work provides new insights into the mechanism behind the irradiation resistance of binary Ni-based SP-CSAs.

关键词： Molecular dynamics simulation Displacement cascade Point defect Ni-based concentrated solid solution alloys

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Multi-field Coupled Inverse Hall–Petch Relations for Ferroelectric Nanocrystals

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Acta Mechanica Solida Sinica 2024年第1期37卷 139-147页

作者： Xiaodong Zhang Wei Yan Xuhui Lou Yujun Chen Zhihong Zhou qingyuan Wang Lianhua Ma Xiaobao Tian Non-Destructive Testing Laboratory School of Quality and Technical SupervisionHebei UniversityBaoding 071002China AVIC Huiyang Aviation Propeller Co. LtdBaoding 071051China Department of Mechanics and Engineering Sichuan UniversityChengdu 610065China Yibin Institute of Industrial Technology Sichuan University Yibin ParkYibin 644000China Research Institute of Interdisciplinary Sciences(RISE) Dongguan University of TechnologyDongguan 523808China School of Materials Science and Engineering Dongguan University of TechnologyDongguan 523808China

Tailoring grain size can improve the strength of polycrystals by regulating the proportion of grains to grain boundaries and the interaction area.As the grain size decreases to the nanoscale,the deformation mechanism in polycrystals shifts from being primarily mediated by dislocations to deformation occurring within the grains and grain boundaries.However,the mechanism responsible for fine-grain strengthening in ferroelectric materials remains unclear,primarily due to the complex multi-field coupling effect arising from spontaneous polarization.Through molecular dynamics simulations,we investigate the strengthening mechanism of barium titanate(BaTiO3),with extremely fine-grain sizes.This material exhibits an inverse Hall–Petch relationship between grain size and strength,rooting in the inhomogeneous concentration of atomic strain and grain rotation.Furthermore,we present a theoretical model to predict the transition from the inverse Hall–Petch stage to the Hall–Petch stage based on strength variations with size,which aligns well with the simulation results.It has been found that the piezoelectric properties of the BaTiO3 are affected by polarization domain switching at various grain sizes.This study enhances our understanding of the atomic-scale mechanisms that contribute to the performance evolution of fine-grain nano-ferroelectric materials.It also provides valuable insights into the design of extremely small-scale ferroelectric components.

关键词： Ferroelectrics Multi-field coupling Molecular dynamics Fine-grain reinforcement Inverse Hall-Petch effect

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A General Framework for Intelligent IoT Data Acquisition and Sharing in an Untrusted Environment Based on Blockchain

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China Communications 2024年第3期21卷 137-148页

作者： Lu Yin Xue Yongtao Li qingyuan Wu Luocheng Li Taosen Yang Peipei Zhu Hongbo College of Internet of Things Nanjing University of Posts and TelecommunicationsNanjing 210003China Key Lab of Broadband Wireless Communication and Sensor Network Technology(Nanjing University of Posts and Telecommunications) Ministry of EducationNanjing 210003China Jiangsu Key Laboratory of Wireless Communications Nanjing University of Posts and TelecommunicationsNanjing 210003China Research Institute of Internet of Things Nanjing University of Posts and TelecommunicationsNanjing 210003China Bell Honors School Nanjing University of Posts and TelecommunicationsNanjing 210023China School of Automation Nanjing University of Posts and TelecommunicationsNanjing 210023China

Traditional Io T systems suffer from high equipment management costs and difficulty in trustworthy data sharing caused by centralization.Blockchain provides a feasible research direction to solve these problems. The main challenge at this stage is to integrate the blockchain from the resourceconstrained Io T devices and ensure the data of Io T system is credible. We provide a general framework for intelligent Io T data acquisition and sharing in an untrusted environment based on the blockchain, where gateways become Oracles. A distributed Oracle network based on Byzantine Fault Tolerant algorithm is used to provide trusted data for the blockchain to make intelligent Io T data trustworthy. An aggregation contract is deployed to collect data from various Oracle and share the credible data to all on-chain users. We also propose a gateway data aggregation scheme based on the REST API event publishing/subscribing mechanism which uses SQL to achieve flexible data aggregation. The experimental results show that the proposed scheme can alleviate the problem of limited performance of Io T equipment, make data reliable, and meet the diverse data needs on the chain.

关键词： blockchain data sharing Internet of Things Oracle

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Uncertainty-Aware Physical Simulation of Neural Radiance Fields for Fluids

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Computer Modeling in Engineering & Sciences 2024年第7期140卷 1143-1163页

作者： Haojie Lian Jiaqi Wang Leilei Chen Shengze Li Ruochen Cao qingyuan Hu Peiyun Zhao Key Laboratory of In-Situ Property-Improving Mining of Ministry of Education Taiyuan University of TechnologyTaiyuan030024China henan International Joint Laboratory of Structural Mechanics and Computational Simulation College of Architectural and Civil EngineeringHuanghuai UniversityZhumadian463000China National Innovation Institute of Defense Technology Academy of Military ScienceBeijing100091China School of Software Taiyuan University of TechnologyJinzhong030600China School of Science Jiangnan UniversityWuxi214122China

This paper presents a novel framework aimed at quantifying uncertainties associated with the 3D reconstruction of smoke from2Dimages.This approach reconstructs color and density fields from 2D images using Neural Radiance Field(NeRF)and improves image quality using frequency regularization.The NeRF model is obtained via joint training ofmultiple artificial neural networks,whereby the expectation and standard deviation of density fields and RGB values can be evaluated for each pixel.In addition,customized physics-informed neural network(PINN)with residual blocks and two-layer activation functions are utilized to input the density fields of the NeRF into Navier-Stokes equations and convection-diffusion equations to reconstruct the velocity field.The velocity uncertainties are also evaluated through ensemble learning.The effectiveness of the proposed algorithm is demonstrated through numerical examples.The presentmethod is an important step towards downstream tasks such as reliability analysis and robust optimization in engineering design.

关键词： Uncertainty quantification neural radiance field physics-informed neural network frequency regularization twolayer activation function ensemble learning

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Belief reliability:a scientific exploration of reliability engineering

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Journal of Systems Engineering and Electronics 2024年第3期35卷 619-643页

作者： ZHANG qingyuan LI Xiaoyang ZU Tianpei KANG Rui International Innovation Institute Beihang UniversityHangzhou 311115China Science and Technology on Reliability and Environmental Engineering Laboratory Beijing 100191China School of Reliability Engineering and Systems Engineering Beihang UniversityBeijing 100191China School of Aeronautic Science and Engineering Beihang UniversityBeijing 100191China

This paper systematically introduces and reviews a scientific exploration of reliability called the belief reliability.Beginning with the origin of reliability engineering,the problems of present theories for reliability engineering are summarized as a query,a dilemma,and a puzzle.Then,through philosophical reflection,we introduce the theoretical solutions given by belief reliability theory,including scientific principles,basic equations,reliability science experiments,and mathematical measures.The basic methods and technologies of belief reliability,namely,belief reliability analysis,function-oriented belief reliability design,belief reliability evaluation,and several newly developed methods and technologies are sequentially elaborated and overviewed.Based on the above investigations,we summarize the significance of belief reliability theory and make some prospects about future research,aiming to promote the development of reliability science and engineering.

关键词： belief reliability performance margin reliability experiment chance measure uncertainty

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The deteriorated degradation resistance of Mg alloy microtubes for vascular stent under the coupling effect of radial compressive stress and dynamic medium

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Journal of Magnesium and Alloys 2024年第2期12卷 573-585页

作者： Mengyao Liu Yabo Zhang qingyuan Zhang Yan Wang Di Mei Yufeng Sun Liguo Wang Shijie Zhu Shaokang Guan School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China henan Key Laboratory of Advanced Magnesium Alloys Zhengzhou 450002China Key Laboratory of Advanced Materials Processing&Mold Ministry of Education Zhengzhou 450002China

The degradation of Mg alloys relates to the service performance of Mg alloy biodegradable implants.In order to investigate the degradation behavior of Mg alloys as vascular stent materials in the near service environment,the hot-extruded fine-grained Mg-Zn-Y-Nd alloy microtubes,which are employed to manufacture vascular stents,were tested under radial compressive stress in the dynamic Hanks'Balanced Salt Solution(HBSS).The results revealed that the high flow rate accelerates the degradation of Mg alloy microtubes and its degradation is sensitive to radial compressive stress.These results contribute to understanding the service performance of Mg alloys as vascular stent materials.

关键词： Mg alloy Microtubes Degradation behavior Radial compressive stress Dynamic conditions

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