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Physics-Informed Neural Networks:Current Progress and Challenges in Computational Solid and Structural Mechanics
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作者 Itthidet Thawon Duy Vo +6 位作者 Tinh QuocBui Kanya Rattanamongkhonkun Chakkapong Chamroon Nakorn Tippayawong Yuttana Mona Ramnarong Wanison Pana Suttakul 《Computer Modeling in Engineering & Sciences》 2026年第2期48-86,共39页
Physics-informed neural networks(PINNs)have emerged as a promising class of scientific machine learning techniques that integrate governing physical laws into neural network training.Their ability to enforce different... Physics-informed neural networks(PINNs)have emerged as a promising class of scientific machine learning techniques that integrate governing physical laws into neural network training.Their ability to enforce differential equations,constitutive relations,and boundary conditions within the loss function provides a physically grounded alternative to traditional data-driven models,particularly for solid and structural mechanics,where data are often limited or noisy.This review offers a comprehensive assessment of recent developments in PINNs,combining bibliometric analysis,theoretical foundations,application-oriented insights,and methodological innovations.A biblio-metric survey indicates a rapid increase in publications on PINNs since 2018,with prominent research clusters focused on numerical methods,structural analysis,and forecasting.Building upon this trend,the review consolidates advance-ments across five principal application domains,including forward structural analysis,inverse modeling and parameter identification,structural and topology optimization,assessment of structural integrity,and manufacturing processes.These applications are propelled by substantial methodological advancements,encompassing rigorous enforcement of boundary conditions,modified loss functions,adaptive training,domain decomposition strategies,multi-fidelity and transfer learning approaches,as well as hybrid finite element–PINN integration.These advances address recurring challenges in solid mechanics,such as high-order governing equations,material heterogeneity,complex geometries,localized phenomena,and limited experimental data.Despite remaining challenges in computational cost,scalability,and experimental validation,PINNs are increasingly evolving into specialized,physics-aware tools for practical solid and structural mechanics applications. 展开更多
关键词 Artificial Intelligence physics-informed neural networks computational mechanics bibliometric analysis solid mechanics structural mechanics
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Research on the Structural Rigidity Characteristics of a Reconfigurable TBM Thrust Mechanism 被引量:4
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作者 Younan Xu Xinjun Liu Jiyu Xu 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2019年第6期35-47,共13页
To improve the adaptability of TBMs in diverse geological environments,this paper proposes a reconfigurable Type-V thrust mechanism(V-TM)with rearrangeable working states,in which structural stiffness can be automatic... To improve the adaptability of TBMs in diverse geological environments,this paper proposes a reconfigurable Type-V thrust mechanism(V-TM)with rearrangeable working states,in which structural stiffness can be automatically altered during operation.Therefore,millions of configurations can be obtained,and thousands of instances of working status per configuration can be set respectively.Nonetheless,the complexity of configurations and diversity of working states contributes to further complications for the structural stiffness algorithm.This results in challenges such as difficulty calculating the payload compliance index and the environment adaptability index.To solve this problem,we use the configuration matrix to describe the relationship between propelling jacks under reconfiguration and adopt pattern vectors to describe the working state of each hydraulic cylinder.Then,both the dynamic compatible equation between propeller forces of the hydraulic cylinders and driving forces,and the kinematic harmonizing equation between the hydraulic cylinder displacements and their deformations are established.Next,we derive the stiffness analytical equation using Hooke’s law and the Jacobian Matrix.The proposed approach provides an effective algorithm to support structural rigidity analysis,and lays a solid theoretical foundation for calculating the performance indexes of the V-TM.We then analyze the rigidity characteristics of typical configurations under different working states,and obtain the main factors affecting structural stiffness of the V-TM.The results show the deviation degree of structural parameters in hydraulic cylinders within the same group,and the working status of propelling jacks.Finally,our constructive conclusions contribute valuable information for matching and optimization by drawing on the factors that affect the structural rigidity of the V-TM. 展开更多
关键词 Reconfigurable TBM thrust mechanism structural rigidity characteristics Configuration matrix Patternvector Kinematic harmonizing equation Dynamic compatible equation structural stiffness equations
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Structural Synthesis of a Class of 2R2T Hybrid Mechanisms 被引量:5
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作者 TIAN Chunxu FANG Yuefa GUO Sheng 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2016年第4期703-709,共7页
Conventional overconstrained parallel manipulators have been widely studied both in industry and academia,however the structural synthesis of hybrid mechanisms with additional constraints is seldom studied,especially ... Conventional overconstrained parallel manipulators have been widely studied both in industry and academia,however the structural synthesis of hybrid mechanisms with additional constraints is seldom studied,especially for the four degrees of freedom(DOF) hybrid mechanisms.In order to develop a manipulator with additional constraints,a class of important spatial mechanisms with coupling chains(CCs) whose motion type is two rotations and two translations(2R2T) is presented.Based on screw theory,the combination of different types of limbs which are used to construct parallel mechanisms and coupling chains is proposed.The basic types of the general parallel mechanisms and geometric conditions of the kinematic chains are given using constraint synthesis method.Moreover,the 2R2T motion pattern hybrid mechanisms which are derived by adding coupling chains between different serial kinematic chains(SKCs) of the corresponding parallel mechanisms are presented.According to the constraint analysis of the mechanisms,the movement relationship of the moving platform and the kinematic chains is derived by disassembling the coupling chains.At last,fourteen novel hybrid mechanisms with two or three serial kinematic chains are presented.The proposed novel hybrid mechanisms and construction method enrich the family of the spatial mechanisms and provide an instruction to design more complex hybrid mechanisms. 展开更多
关键词 parallel mechanisms structural synthesis hybrid mechanisms screw theory
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The Mechanism of Structural Control of Ore Formation and Geochemical Characteristics in the Massive Sulfide Deposits of the Wushan Copper Ore Field,Jiangxi 被引量:1
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作者 Liu Xun Institute of Geomechanics, Chinese Academy of Geological Sciences, Beijing Zhang Zhongmin 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 1990年第3期261-274,共14页
The ore-controlling mechanism of the bedding fault system in the massive sulfide deposits of the Wushancopper orefield may be generalized as the control of ore deposition by optimum surface in an ore-formingstructural... The ore-controlling mechanism of the bedding fault system in the massive sulfide deposits of the Wushancopper orefield may be generalized as the control of ore deposition by optimum surface in an ore-formingstructural trap. The mechanism has three major features: (1) timing of mineralization; (2) positioning of hostformation; and (3) dependence of ore-controlling structure on properties of rocks. The 'optimum surface' is adivisional structural plane which marks obvious difference in physical, chemical and mechanical properties andis favorable for mineralization. It is also a unity of structures. lithofacies and orebodies. The structural and geochemical characteristics of the ore deposits indicate the migration trend of the ma-jor characteristic clements in the ore-controlling fault belt: elements with a small radius (Si, Fe, Mg and Al)moved towards and concentrated at the center of the belt while large-radius ones (Ca, K and Na) were remotefrom the center. 展开更多
关键词 The mechanism of structural Control of Ore Formation and Geochemical Characteristics in the Massive Sulfide Deposits of the Wushan Copper Ore Field JIANGXI
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Mechanical differences of laminations and crack propagation mechanism of continental shale
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作者 Yong-Ting Duan Cheng-Cheng Zhu +3 位作者 Pathegama Gamage Ranjith Bai-Cun Yang Tian-Qiao Mao Yu Li 《Petroleum Science》 2025年第4期1653-1669,共17页
Clarify the mechanical properties of different laminations and the fracture mechanism of continental shale under in-situ stress can provide theoretical basis for more comprehensive evaluation of the fracability of con... Clarify the mechanical properties of different laminations and the fracture mechanism of continental shale under in-situ stress can provide theoretical basis for more comprehensive evaluation of the fracability of continental shale oil reservoir.The Chang 72continental shale was used to investigate the mechanical properties of laminations and the effect of natural structure on the crack propagation of the shale.The XRD and thin section tests show that the laminations contain two types:bright sandy lamination with void structure and dark muddy lamination with layer structure.The real-time CT uniaxial compression tests were conducted to investigate the differences of mechanical properties between the muddy lamination and sandy lamination.It found that the uniaxial compression strength and elastic modulus of the sandy lamination are higher,forming a simple crack with large opening,and the Poisson's ratio of the muddy lamination is large,forming obvious lateral deformation and more secondary cracks.On this basis,the cuboid-shaped continental shale specimens were tested under true triaxial compression conditions to study the effect of laminations and interface cracks on crack propagation combining AE and CT techniques.It found that nascent cracks connected laminations and interface cracks to form fracture network under appropriate loading condition,tensile cracks developed in sandy lamination and shear cracks occurred in muddy lamination because of deformation dissonance and brittleness index differences,and more secondary cracks formed in muddy lamination with smaller fracture toughness.Moreover,the combination relationships between nascent and natural cracks mainly conclude direct penetration and deflection,which is affected by the filling degree and morphology of interface cracks and the relationship of lamination types.These conclusions show that laminar continental shale is conducive to forming complex fracture network,which can provide a theoretical basis for the proposal of indicators and methods for fracability evaluation. 展开更多
关键词 Continental shale oil Mechanical properties of different lamination types True triaxial compression test Structure control mechanism Fracability evaluation
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Structural Design and Analysis of Lower Limb Exoskeleton Robotics
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作者 Mingshuo ZHANG Yutong LI +2 位作者 Sheng ZHANG Yuanhai DING Chuanqi LI 《Mechanical Engineering Science》 2025年第1期20-25,共6页
With the acceleration of the global aging process and the increase of cardiovascular ancerebrovascular diseases,more and more patients are paralyzed due to accidents,so theexoskeleton robot began to appear in people&#... With the acceleration of the global aging process and the increase of cardiovascular ancerebrovascular diseases,more and more patients are paralyzed due to accidents,so theexoskeleton robot began to appear in people's sight,and the lower limb exoskeleton robot withrehabilitation training is also favored by more and more people.In this paper,the structural designand analysis of the lower limb exoskeleton robot are carried out in view of the patients'expectation ofnormal walking.First,gait analysis and structural design of lower limb exoskeleton robot.Based onthe analysis of the walking gait of normal people,the freedom of the three key joints of the lower limbexoskeleton robot hip joint,knee joint and ankle joint is determined.at the same time,according tothe structuralcharacteristics of each joint,the three key joints are modeled respectively,and theoverall model assembly of the lower limb exoskeleton robot is completed.Secondly,the kinematicsanalysis of the lower limb exoskeleton robot was carried out to obtain the relationship between thelinear displacement,linear speed and acceleration of each joint,so as to ensure the coordination ofthe model with the human lower limb movement.Thirdly,the static analysis of typical gait of hipjoint,knee joint and ankle joint is carried out to verify the safety of the design model under thepremise of ensuring the structural strength requirements.Finally,the parts of the model were 3Dprinted,and the rationality of the design was further verified in the process of assembling the model. 展开更多
关键词 Exoskeleton Robots Mechanical Structure Design Finite Element Analysis Motion Simulation
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Structural Safety Assessment and Improvement Measures in Mechanical Design of Amusement Equipment
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作者 Bin Liu 《Journal of Electronic Research and Application》 2025年第6期224-230,共7页
This paper focuses on the mechanical structure design of amusement rides,elucidating the application of fundamental theories such as statics and fatigue strength analysis.It introduces special requirements like impact... This paper focuses on the mechanical structure design of amusement rides,elucidating the application of fundamental theories such as statics and fatigue strength analysis.It introduces special requirements like impact and alternating stress,explores methods for structural safety assessment and their limitations.The paper also covers principles for selecting indicators,the construction of a grading evaluation system,and the application of various materials and technologies in amusement rides,emphasizing the importance of structural safety and future development directions. 展开更多
关键词 Amusement equipment Mechanical structure design structural safety
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Mechanism of Nutrient Silicon and Water Temperature Influences on Phytoplankton Growth 被引量:3
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作者 杨东方 高振会 +2 位作者 孙培艳 李梅 曲延峰 《Marine Science Bulletin》 CAS 2006年第2期49-59,共11页
This paper analyzed how nutrient silicon and water temperature influenced the variation of phytoplankton growth and the change of its assemblage structure, and probed the different characteristics of the variation of ... This paper analyzed how nutrient silicon and water temperature influenced the variation of phytoplankton growth and the change of its assemblage structure, and probed the different characteristics of the variation of phytoplankton growth and the different profiles of the change of its assemblage structure influenced by nutrient silicon and water temperature. Taking Jiaozhou Bay for example, this paper showed the process of both the variation of phytoplankton growth and the change of its assemblage structure, unveiled the mechanism of nutrient silicon and water temperature influencing the variation of phytoplankton growth and the change of its assemblage structure, and determined that nutrient silicon and water temperature were the motive power for the healthy running of the marine ecosystem. 展开更多
关键词 SILICON water temperature phytoplankton growth assemblage structure mechanism
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Structure insight into FtsZ function maintaining under acid stress of Streptococcus mutans
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作者 Yuxing Chen Yongliang Li +9 位作者 Jiahao Niu Liuchang Yang Yaqi Chi Xue Cai Fengjiao Xin Jie Zhang Xianyang Fang Yiqin Gao Manas Mondal Xiaoyan Wang 《International Journal of Oral Science》 2026年第1期90-102,共13页
Understanding the acid resistance mechanism of S.mutans is crucial for preventing dental caries.FtsZ is the core protein for cell division in bacteria that can polymerize into Z-rings and drive cytokinesis.Our previou... Understanding the acid resistance mechanism of S.mutans is crucial for preventing dental caries.FtsZ is the core protein for cell division in bacteria that can polymerize into Z-rings and drive cytokinesis.Our previous study revealed that the FtsZ in S.mutans(SmFtsZ) has higher self-assembly and GTPase activity under acidic stress,which may be responsible for acid resistance and ca riogenesis of S.mutans.However,the functional structure mechanism of SmFtsZ under low pH conditions is still unclear.Here,we further reported the crystal structure of S.mutans FtsZ,revealing a unique lateral interface.Through protein polymerization and GTPase activity assay,we experimentally demonstrated that the mutation of Arg68 on this lateral interface significantly reduced the functional activity of FtsZ in an acidic environment.The phenotype assay and rat caries model further showed that the mutation of Arg68 effectively inhibited the acid resistance of S.mutans and the occurrence and progress of dental caries in vivo.By employing a molecular dynamics simulation analysis,we conclude that the mutation of Arg68 disrupts the conformation change necessary for SmFtsZ polymerization under acidic conditions.Our study proposes a novel mechanism to maintain FtsZ function in bacteria and could be a potential target for antimicrobial drugs to inhibit the growth of S.mutans in acidic environments. 展开更多
关键词 ca riogenesis FTSZ acid resistance dental cariesftsz acidic stress cell division functional structure mechanism low ph conditions
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Occurrences and Formation Mechanisms of Botryoidai Structures from the Sinian Dengying Formation,Sichuan Basin,China 被引量:5
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作者 LIAN Chengbo QU Fang +6 位作者 TAN Xiucheng LI Ling JIN Mindong ZENG Wei REN Quanxiong HU Guang LIU Hong 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2016年第1期384-385,共2页
ObjectiveThis study aims to characterize the occurrences and interior structural features of botryoidal structures from the Sinian Dengying Formation in the Sichuan Basin of Southwestern China, and to shed light on th... ObjectiveThis study aims to characterize the occurrences and interior structural features of botryoidal structures from the Sinian Dengying Formation in the Sichuan Basin of Southwestern China, and to shed light on their formation mechanism. 展开更多
关键词 Occurrences and Formation mechanisms of Botryoidai Structures from the Sinian Dengying Formation Sichuan Basin China
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A Modified Molecular Structural Mechanics Method for Analysis of Carbon Nanotubes 被引量:1
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作者 Ming-yuan Huang Hai-bo Chen +2 位作者 Ji-nan Lü Pin Lü Pei-qiang Zhang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第4期286-290,共5页
A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecula... A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecular mechanics. Under the small deformation assumption and by the principle of minimum potential energy, the system function was established. The properties of tension and bending of single-walled carbon nanotubes were analyzed. The Young's modulus is about 0.36 TPa nm, which agrees perfectly with the results of previous analysis by other researchers. It is found, for the first time, that the Young's moduli, for Zigzag nanotubes, are different from each other when the system energy was expressed as the sum of two or three individual energy terms in molecular mechanics. Whereas, the Young's moduli were the same for the Armchair nanotubes. It is found, when simulating the bending, that the deflections are closer to the theoretical ones, of the classical elasticity, when the diameter of the carbon nanotube increases. 展开更多
关键词 Carbon nanotube Molecular mechanics Molecular structural mechanics method
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The action mechanisms and structures designs of F-containing functional materials for high performance oxygen electrocatalysis 被引量:2
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作者 Gang Wang Shuwei Jia +7 位作者 Hongjing Gao Yewen Shui Jie Fan Yixia Zhao Lei Li Weimin Kang Nanping Deng Bowen Cheng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第1期377-397,I0010,共22页
Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a cent... Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a central role in clean energy conversion,enabling a number of sustainable processes for future air battery technologies.Fluorine,as the most electronegative element(4.0)not only can induce more efficient regulation for the electronic structure,but also can bring more abundant defects and other novel effects in materials selection and preparation for favorable catalysis with respect to the other nonmetal elements.However,an individual and comprehensive overview of fluorine-containing functional materials for oxygen electrocatalysis field is still blank.Therefore,it is very meaningful to review the recent progresses of fluorine-containing oxygen electrocatalysts.In this review,we first systematically summarize the controllable preparation methods and their possible development directions based on fluorine-containing materials from four preparation methods.Due to the strong electron-withdrawing properties of fluorine,its control of the electronic structure can effectively enhance the oxygen electrocatalytic activity of the materials.In addition,the catalytic enhancement effect of fluorine on carbonbased materials also includes the prevent oxidation and the layer peeling,and realizes the precise atomic control.And the catalytic improvement mechanism of fluorine containing metal-based compounds also includes the hydration of metal site,the crystal transformation,and the oxygen vacancy induction.Then,based on their various dimensions(0D–3D),we also have summarized the advantages of different morphologies on oxygen electrocatalytic performances.Finally,the prospects and possible future researching direction of F-containing oxygen electrocatalysts are presented(e.g.,novel pathways,advanced methods for measurement and simulation,field assistance and multi-functions).The review is considered valuable and helpful in exploring the novel designs and mechanism analyses of advanced fluorine-containing electrocatalysts. 展开更多
关键词 Fluorine-containing functional materials Action mechanisms and structure designs Density functional theory Oxygen evolution reaction Oxygen reduction reaction
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Failure mechanism and control technology of water-immersed roadway in high-stress and soft rock in a deep mine 被引量:17
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作者 Yang Renshu Li Yongliang +3 位作者 Guo Dongming Yao Lan Yang Tongmao Li Taotao 《International Journal of Mining Science and Technology》 SCIE EI CSCD 2017年第2期245-252,共8页
Aiming at soft rock ground support issues under conditions of high stress and long-term water immersion, the ground failure mechanism is revealed by taking the deep-water sumps of Jiulong Mine as the engineering backg... Aiming at soft rock ground support issues under conditions of high stress and long-term water immersion, the ground failure mechanism is revealed by taking the deep-water sumps of Jiulong Mine as the engineering background and employing field investigation, tests of rock structure, mechanical properties and mineral composition. The main factors leading to the surrounding rock failure include the high and complex stress state of the water sumps, high-clay content and water-weakened rock, and the unreasonable support design. In this paper, the broken and fractured rock mass near roadway opening is considered as ground small-structure, and deep stable rock mass as ground large-structure. A support technology focusing on cutting off the water, strengthening the small structure of the rock and transferring the large structure of the rock is proposed. The proposed support technology of interconnecting the large and small structures, based on high-strength bolts, high-stiffness shotcrete layer plugging water,strengthening the small structure with deep-hole grouting and shallow-hole grouting, highpretensioned cables tensioned twice to make the large and small structures bearing the pressure evenly,channel-steel and high-pretensioned cables are used to control floor heave. The numerical simulation and field test show that this support system can control the rock deformation of the water sumps and provide technical support to similar roadway support designs. 展开更多
关键词 High stress and soft rock Water immersion Failure mechanism Large and small structures Rework control
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Formation Mechanism of Curved Martensite Structures in Cu-based Shape Memory Alloys 被引量:2
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作者 Yujun BAI, Qiquan SHI,Guili GENG, Dongsheng SUN and Xiufang BIAN (Institute of Materials Engineering, Shandong University of Technology, Jinan 250061, China) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2000年第1期79-81,共3页
The curved martensite structures have been observed in CuZnAI-based shape memory alloys by both transmission electron microscope and optical microscope. It was found that the curved martensite structures observed in a... The curved martensite structures have been observed in CuZnAI-based shape memory alloys by both transmission electron microscope and optical microscope. It was found that the curved martensite structures observed in as-solution treated, as-aged and as-trained alloys usually occurred around dislocation tangles or precipitate, at the plate boundary or grain boundary, and when the growing plates collided with each other or alternate mutually. 展开更多
关键词 Formation mechanism of Curved Martensite Structures in Cu-based Shape Memory Alloys CU
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Mechanically Driven Alloying and Structural Evolution of Nanocrystalline Fe_(60)Cu_(40) Powder 被引量:1
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作者 Yuanda DONG and Xueming MA(School of Materials Science and Engineering, Shanghai University, Shanghai 200072, China)Yuanzheng YANG(Dept. of Mechanical Engineering(2), South China University of Technology, Guangzhou 510641, China)Fangxin LIU and Genmiao WA 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1997年第4期354-358,共5页
Highly supersaturated nanocrystalline fcc Fe60Cu40 alloy has been prepared by mechanical alloying of elemental powders. The phase transformation is monitored by X-ray diffraction (XRD),Mossbauer spectroscopy and exten... Highly supersaturated nanocrystalline fcc Fe60Cu40 alloy has been prepared by mechanical alloying of elemental powders. The phase transformation is monitored by X-ray diffraction (XRD),Mossbauer spectroscopy and extended X-ray absorption fine structure (EXAFS). The powder obtained after milling is of single fcc structure with grain size of nanometer order. The Mossbauer spectra of the milled powder can be fitted by two subspectra whose hyperfine magnetic fields are 16 MA/m and 20 MA/m while that of pure Fe disappeared. EXAFS results show that the radial structure function (RSF) of Fe K-edge changed drastically and finally became similar to that of reference Cu K-edge, while that of Cu K-edge nearly keeps unchanged in the process of milling. These imply that bcc Fe really transforms to fcc structure and alloying between Fe and Cu occurs truly on an atomic scale. EXAFS results indicate that iron atoms tend to segregate at the boundaries and Cu atoms are rich in the fcc lattice. Annealing experiments show that the Fe atoms at the interfaces are easy to cluster to α-Fe at a lower temperature, whereas the iron atoms in the lattice will form γ-Fe first at temperature above 350℃, and then transform to bcc Fe 展开更多
关键词 Mechanically Driven Alloying and structural Evolution of Nanocrystalline Fe MA CU POWDER Figure
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Theoretical Study of the Structure,Mechanism of Detonation Initiation and Stability of Transition Metal Carbohydrazide Nitrates 被引量:1
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作者 黄辉胜 张同来 +3 位作者 张胜涛 张建国 吴兴发 徐建华 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第10期1491-1496,共6页
The geometric structure, mechanism of detonation initiation and stability of transition metal carbohydrazide (CHZ) nitrates are investigated via density functional theory. The obtained results show that the Heyd-Scu... The geometric structure, mechanism of detonation initiation and stability of transition metal carbohydrazide (CHZ) nitrates are investigated via density functional theory. The obtained results show that the Heyd-Scuseria-Ernzerhof (HSE) functional yields the most accurate geometry. The initiating reaction of detonation in [Mn(CHZ)3](NO3)2 and [Zn(CHZ)3](NO3)2 is the formation of NO3 radicals. The calculated heat of formation and energy gap predict that the Mn and Zn complexes, which have the half-filled (3d5) and full-filled (3d10) electron configurations for the transition metal ions, respectively are more stable than the Co, Ni and Cu complexes. This indicates that the electron configuration of transition metal ion plays an important role in the stabilities of these energetic complexes. 展开更多
关键词 energetic material density functional theory mechanism of detonation initiation electronic structure STABILITY
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Effects of mechanical activation on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation tailings 被引量:3
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作者 Ermolovich E.A. Ermolovich O.V. 《International Journal of Mining Science and Technology》 SCIE EI CSCD 2016年第6期1043-1049,共7页
The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separa... The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separation process were studied using X-ray and laser diffraction methods. The results revealed the relationship between variations in the mean particle size of activated powders and the milling time. The crystallite size, microstrain, lattice parameters and unit cell volumes were determined for different milling times in powder samples of quartz, hematite, dolomite, and magnetite from the beneficiation tailings. The main trends in the variation of the crystallite size of quartz, hematite, dolomite, and magnetite as a function mean particle size of powder samples were revealed. Changes in the particle shape as a function of the activation time was also investigated. 展开更多
关键词 Ferruginous quartzite beneficiation tailings Mechanical activation Crystallites Planetary mill Microstructure structural changes
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Layered sphere-shaped TiO_2 capped with gold nanoparticles on structural defects and their catalysis of formaldehyde oxidation 被引量:1
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作者 Chunyan Ma Guanglong Pang +3 位作者 Guangzhi He Yang Li Chi He Zhengping Hao 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2016年第1期77-85,共9页
We describe here a one-step method for the synthesis of Au/TiO2 nanosphere materials,which were formed by layered deposition of multiple anatase TiO2 nanosheets.The Au nanoparticles were stabilized by structural defec... We describe here a one-step method for the synthesis of Au/TiO2 nanosphere materials,which were formed by layered deposition of multiple anatase TiO2 nanosheets.The Au nanoparticles were stabilized by structural defects in each TiO2 nanosheet,including crystal steps and edges,thereby fixing the Au-TiO2 perimeter interface.Reactant transfer occurred along the gaps between these TiO2 nanosheet layers and in contact with catalytically active sites at the Au-TiO2 interface.The doped Au induced the formation of oxygen vacancies in the Au-TiO2 interface.Such vacancies are essential for generating active oxygen species(-*O^-) on the TiO2 surface and Ti^3+ ions in bulk TiO2.These ions can then form Ti^3+-O^--Ti^4+species,which are known to enhance the catalytic activity of formaldehyde(HCHO) oxidation.These studies on structural and oxygen vacancy defects in Au/TiO2 samples provide a theoretical foundation for the catalytic mechanism of HCHO oxidation on oxide-supported Au materials. 展开更多
关键词 Layered Au/TiO2 nanospheres structural defects Oxygen vacancy defects Reaction mechanism Formaldehyde oxidation
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Analysis of static structural mechanics of vertical axis wind turbine with lift-drag combined starting structures
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作者 QU Chunming FENG Fang +2 位作者 LI Yan BAI Yuedi ZHAO Bin 《排灌机械工程学报》 CSCD 北大核心 2021年第9期923-928,共6页
The finite element analysis was carried out for a composite vertical axis wind turbine with lift-drag combined starting structures to ensure the structure safety of a vertical axis wind turbine(VAWT).The static and mo... The finite element analysis was carried out for a composite vertical axis wind turbine with lift-drag combined starting structures to ensure the structure safety of a vertical axis wind turbine(VAWT).The static and modal analysis of rotor of a composite vertical axis wind turbine was conducted by using ANSYS software.The relevant contour sketch of stress and deformation was obtained.The analysis was made for static structural mechanics,modal analysis of rotor and the total deformation and vibration profile to evaluate the influence on the working capability of the rotor.The analysis results show that the various structure parameters lie in the safety range of structural mechanics in the relative standards.The analysis showing the design safe to operate the rotor of a vertical axis wind turbine.The methods used in this study can be used as a good reference for the structural mechanics′analysis of VAWTs. 展开更多
关键词 vertical axis wind turbine finite element analysis static structural mechanics lift-drag combined starting structure model analysis
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An 8-Node Plane Hybrid Element for StructuralMechanics Problems Based on the Hellinger-Reissner Variational Principle
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作者 Haonan Li WeiWang +1 位作者 Quan Shen Linquan Yao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第2期1277-1299,共23页
The finite element method (FEM) plays a valuable role in computer modeling and is beneficial to the mechanicaldesign of various structural parts. However, the elements produced by conventional FEM are easily inaccurat... The finite element method (FEM) plays a valuable role in computer modeling and is beneficial to the mechanicaldesign of various structural parts. However, the elements produced by conventional FEM are easily inaccurate andunstable when applied. Therefore, developing new elements within the framework of the generalized variationalprinciple is of great significance. In this paper, an 8-node plane hybrid finite element with 15 parameters (PHQ8-15β) is developed for structural mechanics problems based on the Hellinger-Reissner variational principle.According to the design principle of Pian, 15 unknown parameters are adopted in the selection of stress modes toavoid the zero energy modes.Meanwhile, the stress functions within each element satisfy both the equilibrium andthe compatibility relations of plane stress problems. Subsequently, numerical examples are presented to illustrate theeffectiveness and robustness of the proposed finite element. Numerical results show that various common lockingbehaviors of plane elements can be overcome. The PH-Q8-15β element has excellent performance in all benchmarkproblems, especially for structures with varying cross sections. Furthermore, in bending problems, the reasonablemesh shape of the new element for curved edge structures is analyzed in detail, which can be a useful means toimprove numerical accuracy. 展开更多
关键词 8-node plane hybrid element Hellinger-Reissner variational principle locking behaviors structural mechanics problems
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