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Deciphering the controlling factors for phase transitions in zeolitic imidazolate frameworks

National Science Review 2024年第4期11卷 151-163页

作者： Tao Du Shanwu Li Sudheer Ganisetti Mathieu Bauchy Yuanzheng Yue Morten M.Smedskjaer department of Chemistry and Bioscience Aalborg University department of mechanical engineering-engineering Mechanics Michigan Technological University Physics of Amo Rphous and Inorganic Solids Laboratory(PARISlab) Department of Civil and Environmental EngineeringUniversity of CaliforniaLos Angeles

Zeolitic imidazolate frameworks（ZIFs） feature complex phase transitions, including polymorphism,melting, vitrification, and polyamorphism. Experimentally probing their structural evolution during transitions involving amorphous phases is a significant challenge, especially at the medium-range length scale. To overcome this challenge, here we first train a deep learning-based force field to identify the structural characteristics of both crystalline and non-crystalline ZIF phases. This allows us to reproduce the structural evolution trend during the melting of crystals and formation of ZIF glasses at various length scales with an accuracy comparable to that of ab initio molecular dynamics, yet at a much lower computational cost. Based on this approach, we propose a new structural descriptor, namely, the ring orientation index, to capture the propensity for crystallization of ZIF-4(Zn（Im）2, Im = C3H3N2-) glasses, as well as for the formation of ZIF-zni(Zn（Im）2) out of the high-density amorphous phase. This crystal formation process is a result of the reorientation of imidazole rings by sacrificing the order of the structure around the zinc-centered tetrahedra. The outcomes of this work are useful for studying phase transitions in other metal-organic frameworks（MOFs） and may thus guide the development of MOF glasses.

关键词： metal-organic frameworks phase transitions melting glass formation transferable deep learning force field ring orientation

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AI for tribology:Present and future

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Friction 2024年第6期12卷 1060-1097页

作者： Nian YIN Pufan YANG Songkai LIU Shuaihang PAN Zhinan ZHANG State Key Laboratory of mechanical System and Vibration Shanghai Jiao Tong UniversityShanghai 200240China School of mechanical engineering Shanghai Jiao Tong UniversityShanghai 200240China department of mechanical engineering University of UtahSalt Lake CityUT 84112USA

With remarkable learning capabilities and swift operational speeds,artificial intelligence(AI)can assist researchers in swiftly extracting valuable patterns,trends,and associations from subjective *** behaviors are characterized by dependence on systems,evolution with time,and multidisciplinary *** friction process involves a variety of phenomena,including mechanics,thermology,electricity,optics,magnetics,and so ***,tribological information possesses the distinct characteristics of being multidisciplinary,multilevel,and multiscale,so that the application of AI in tribology is highly *** delineate the scope,classification,and recent trends of AI implementation in tribology,this review embarks on exploration of the tribology research *** comprehensively outlines the utilization of AI in basic theory of tribology,intelligent tribology,component tribology,extreme tribology,bio-tribology,green tribology,and other ***,considering the emergence of"tribo-informatics"as a novel interdisciplinary field,which combines tribology with informatics,this review elucidates the future directions and research framework of"AI for tribology".In this paper,tribo-system information is divided into 5 categories:input information(I),system intrinsic information(S),output information(O),tribological state information(Ts),and derived state information(Ds).Then,a fusion method among 5 types of tribo-system information and different AI technologies(regression,classification,clustering,and dimension reduction)has been proposed,which enables tribo-informatics methods to solve common problems such as tribological behavior state monitoring,behavior prediction,and system *** purpose of this review is to offer a systematic comprehension of tribo-informatics and to inspire new research ideas of ***,it aspires to enhance the efficiency of problem-solving in tribology.

关键词： artificial intelligence(AI) tribology machine learning tribo-informatics AI for tribology

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Theoretical study on the effect of H_(2)O on the formation mechanism of NO_(x) precursors during indole pyrolysis

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Frontiers of Chemical Science and engineering 2024年第6期18卷 99-112页

作者： Ziqi Wang Jun Shen Xuesong Liu Sha Wang Shengxiang Deng Hai Zhang Yun Guo School of mechanical and Automotive engineering Shanghai University of Engineering ScienceShanghai 201620China School of mechanical engineering Shanghai Jiao Tong UniversityShanghai 200240China

The incineration technology of kitchen waste is one of the effective technologies to achieve the resource utilization of municipal solid *** is an important stage of *** is a rich initial product in the pyrolysis process of kitchen waste,and the presence of H_(2)O has a significant impact on the decomposition of indole to form NO_(x) ***,this study uses density functional theory method to study the effect of H_(2)O on the thermal decomposition of indole to produce NH_(3),HNCO,and *** H_(2)O participates in the reaction,it can provide oxidative groups to generate a new product HNCO,which is different from the previous findings by indole pyrolysis without the presence of H_(2)***,this study theoretically proves that NH_(3) is easier to form than *** is consistent with the phenomenon that NH_(3) release is higher than HCN release in pyrolysis *** addition,compared with the individual pyrolysis of indole,the participation of H_(2)O reduces the energy barriers for the formation of NH_(3) and HCN during indole pyrolysis,thereby promoting the formation of NH_(3) and HCN.

关键词： indole pyrolysis H_(2)O NO_(x)precursors DFT

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Dynamics of a rotating ring-stiffened sandwich conical shell with an auxetic honeycomb core

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Applied Mathematics and Mechanics(English Edition) 2024年第6期45卷 963-982页

作者： S.JAHANGIRI A.GHORBANPOUR ARANI Z.KHODDAMI MARAGHI department of Solid Mechanics Faculty of Mechanical EngineeringUniversity of KashanKashan ***Iran Faculty of engineering Mahallat Institute of Higher EducationMahallat ***Iran

The free vibration analysis of a rotating sandwich conical shell with a reentrant auxetic honeycomb core and homogenous isotropic face layers reinforced with a ring support is *** shell is modeled utilizing the first-order shear deformation theory(FSDT)incorporating the relative,centripetal,and Coriolis accelerations alongside the initial hoop tension created by the *** governing equations,compatibility conditions,and boundary conditions are attained using Hamilton’s *** trigonometric functions,an analytical solution is derived in the circumferential direction,and a numerical one is presented in the meridional direction via the differential quadrature method(DQM).The effects of various factors on the critical rotational speeds and forward and backward frequencies of the shell are *** present work is the first theoretical work regarding the dynamic analysis of a rotating sandwich conical shell with an auxetic honeycomb core strengthened with a ring support.

关键词： free vibration conical shell rotating shell ring support auxetic honeycomb

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An adaptive machine learning-based optimization method in the aerodynamic analysis of a finite wing under various cruise conditions

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Theoretical & Applied Mechanics Letters 2024年第1期14卷 27-34页

作者： Zilan Zhang Yu Ao Shaofan Li Grace X.Gu department of mechanical engineering University of CaliforniaBerkeley 94720USA department of engineering Peking UniversityBeijing 100871China department of Civil and Environmental engineering University of CaliforniaBerkeley 94720USA

Conventional wing aerodynamic optimization processes can be time-consuming and imprecise due to the complexity of versatile flight *** of existing literature has considered two-dimensional infinite airfoil optimization,while three-dimensional finite wing optimizations are subject to limited study because of high computational *** we create an adaptive optimization methodology built upon digitized wing shape deformation and deep learning algorithms,which enable the rapid formulation of finite wing designs for specific aerodynamic performance demands under different cruise *** methodology unfolds in three stages:radial basis function interpolated wing generation,collection of inputs from computational fluid dynamics simulations,and deep neural network that constructs the surrogate model for the optimal wing *** has been demonstrated that the proposed methodology can significantly reduce the computational cost of numerical *** also has the potential to optimize various aerial vehicles undergoing different mission environments,loading conditions,and safety requirements.

关键词： Aerodynamic optimization Computational fluid dynamics Radial basis function Finite wing Deep learning neural network

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Investigation of wake-induced vibration interference between two staggered wave-cone cylinders at subcritical Reynolds number

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Journal of Hydrodynamics 2024年第2期36卷 378-393页

作者： Lin Zou Di-wei Liu Jian Liu Hong-cheng Zuo Yin-huan Zheng Hao Xia School of mechanical and Electronic engineering Wuhan University of TechnologyWuhan430070China department of Aeronautical and Automotive engineering Loughborough UniversityLoughboroughUK

The wake induced vibration(WIV)of a one-and two-degree-of-freedom(1DOF,2DOF)downstream wave-cone cylinder(WCC)behind a stationary equal-size upstream wave-cone cylinder in the staggered arrangement is numerically investigated at subcritical Reynolds number of 3900 by using shear stressed transfer(SST)k-ωturbulence *** streamwise pitch ratios(P/Dm)vary from 4 to 6 with a fixed incident angleα=8°.Experimental measurements were also performed for the validation of the present numerical *** is found that the largest vibration amplitude in crossflow direction occurred at P/Dm=4,Ur=8 with small difference of streamwise vibration at P/Dm=4,*** from single wavy-cone cylinder(SWCC),the downstream flexible one of a pair staggered WCCs got larger vibration amplitude during phase switching stage instead of in-phase *** upstream wake will suppress the triple frequency of main frequency in the power spectra density(PSD)functions of Cl but stimulate the double one of *** intriguing vibration mechanism happened in all 2DOF cases where the trajectory of downstream WCC is a significant ellipse rather than a figure of *** transformation of phase switching and the variation of the main frequency of drag coefficient(Cd)can be explained by the vortex-shedding modes of downstream WCC.

关键词： Two wave-cone cylinders staggered arrangement wake induced vibration phase switching vortex shedding

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Laser-assisted direct roller imprinting of large-area microstructured optical surfaces

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Microsystems & Nanoengineering 2024年第1期10卷 257-266页

作者： Keisuke Nagato Ken Takahashi Yuki Yajima Masayuki Nakao department of mechanical engineering Graduate School of EngineeringThe University of Tokyo7-3-1 HongoBunkyo-kuTokyo 113-8656Japan

In this study,a high-throughput fabrication method called laser-assisted direct roller imprinting(LADRI)was developed to lower the cost of nanoimprinting large-area polymer films and to address problems associated with nanoimprinting,namely,microstructural damage and precision in flatness of entire *** LADRI,the laser directly heats the microstructured surface of the roller mold,which heats and melts the surface of a polymethyl methacrylate(PMMA)film to replicate the microstructures on the mold *** this study,the effects of laser power density,scanning speed,size of the microstructures,and contact pressure on the replication speed were investigated *** replication speed increased as the power and scanning speed ***,because the film required heating until it filled the entire depth of the microstructure,an appropriate replication speed was *** result was supported by simulation of the temperature distribution inside the mold and the PMMA using transient heat conduction *** demonstrate the applications of LADRI,two different optical surfaces were replicated:an antireflection(AR)structure with conical structures sized several hundred nanometers and a lightextraction structure with a microlens array(MLA)comprising 10μm lenses,for display and illumination,*** replication degree of the MLA was governed by the contact *** flow simulation indicated that the heat conduction and flow speeds of the melted PMMA surface were comparable within several tens of *** addition,the reflectivity of the AR structure decreased from 4 to 0.5%,and the light intensity of the light-extraction structure increased by a factor of 1.47.

关键词： microstructure roller conduction

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TFN-FICFM:sEMG-Based Gesture Recognition Using Temporal Fusion Network and Fuzzy Integral-based Classifier Fusion

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Journal of Bionic engineering 2024年第4期21卷 1878-1891页

作者： Fo Hu Kailun He Mengyuan Qian Mohamed Amin Gouda College of Information engineering Zhejiang University of TechnologyHangzhou310023China department of mechanical engineering and Automation Northeastern UniversityShenyang110819China

Surface electromyography(sEMG)-based gesture recognition is a key technology in the field of human–computer ***,existing gesture recognition methods face challenges in effectively integrating discriminative temporal feature representations from sEMG *** this paper,we propose a deep learning framework named TFN-FICFM comprises a Temporal Fusion Network(TFN)and Fuzzy Integral-Based Classifier Fusion method(FICFM)to improve the accuracy and robustness of gesture ***,we design a TFN module,which utilizes an attention-based recurrent multi-scale convolutional module to acquire multi-level temporal feature representations and achieves deep fusion of temporal features through a feature pyramid ***,the deep-fused temporal features are utilized to generate multiple sets of gesture category prediction confidences through a feedback ***,we employ FICFM to perform fuzzy fusion on prediction confidences,resulting in the ultimate *** study conducts extensive comparisons and ablation studies using the publicly available datasets Ninapro DB2 and *** demonstrate that the TFN-FICFM model outperforms state-of-the-art methods in classification *** research can serve as a benchmark for sEMG-based gesture recognition and related deep learning modeling.

关键词： Gesture recognition sEMG Deep learning Temporal fusion Fuzzy fusion

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Effects of surface energy and substrate on modulus determination of biological films by conical indentation

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Science China(Technological Sciences) 2024年第6期67卷 1757-1764页

作者： DING Yue LI Cheng-Ya NIU XinRui WANG Gang-Feng department of engineering Mechanics SVLXi’an Jiaotong UniversityXi’an710049China department of mechanical engineering City University of Hong KongHong Kong SAR999077China

Micro-/nano-indentation has become prevalent in evaluating the mechanical characteristics of biological samples,such as cells and ***,the existing contact models describing conical indentation ignore the joint effects of surface energy and substrate,and consequently cannot accurately extract the Young's modulus of biological samples deposited on *** finite element methods,we examine the conical indentation of biological films on substrates while taking surface energy into *** on the dimensional analysis,the explicit relationship between load and indentation depth is achieved for films with their moduli varying from 0.001 to 100 times that of the *** the classical Sneddon's model was employed to analyze the load-depth data,the measured modulus could reach 18 times the real modulus for films on harder substrates,but only 4%of the real modulus for films on softer ***,in micro-/nano-indentations,neglecting the contribution of surface energy would result in an overestimation of the Young's modulus of films depending on the contact *** analytical expression provided here can be utilized to precisely deduce the mechanical characteristics of biological films deposited on substrate from the load and indentation depth data of a conical indentation.

关键词： biological film surface effect substrate effect indentation

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A review of ultrafast laser micro/nano fabrication:Material processing,surface/interface controlling,and devices fabrication

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Nano Research 2024年第7期17卷 6212-6230页

作者： Heng Guo Jiawang Xie Guangzhi He Dezhi Zhu Ming Qiao Jianfeng Yan Jiachen Yu Jiaqun Li Yuzhi Zhao Ma Luo Haoze Han State Key Laboratory of Tribology in Advanced Equipment Department of Mechanical EngineeringTsinghua UniversityBeijing 100084China

Ultrafast laser processing technology has offered a wide range of opportunities in micro/nano fabrication and other fields such as nanotechnology,biotechnology,energy science,and photonics due to its controllable processing precision,diverse processing capabilities,and broad material *** processing abilities and applications of the ultrafast laser still need more *** the field of material processing,controlling the atomic scale structure in nanomaterials is *** effects exist in ultrafast laser surface/interface processing,making it difficult to modulate the nanostructure and properties of the surface/interface as *** the ultrafast laser fabrication of micro functional devices,the processing ability needs to be ***,we review the research progress of ultrafast laser micro/nano fabrication in the areas of material processing,surface/interface controlling,and micro functional devices *** useful ultrafast laser processing methods and applications in these areas are *** various processing effects and abilities,the ultrafast laser processing technology has demonstrated application values in multiple fields from science to industry.

关键词： ultrafast laser micro/nano fabrication material processing surface/interface controlling devices fabrication

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