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Numerical simulation of materials-oriented ultra-precision diamond cutting:review and outlook

International Journal of Extreme Manufacturing 2023年第2期5卷 1-21页

作者： Liang Zhao Junjie Zhang Jianguo Zhang Houfu Dai Alexander Hartmaier Tao Sun Center for Precision Engineering Harbin Institute of TechnologyHarbin 150001People’s Republic of China State Key Laboratory of Digital Manufacturing Equipment and Technology School of Mechanical Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074People’s Republic of China School of Mechanical and Engineering Guizhou UniversityGuizhou 550025People’s Republic of China Interdisciplinary Centre for Advanced Materials Simulation Ruhr-University BochumBochum 44801Germany

Ultra-precision diamond cutting is a promising machining technique for realizing ultra-smooth surface of different kinds of *** fundamental understanding of the impact of workpiece material properties on cutting mechanisms is crucial for promoting the capability of the machining technique,numerical simulation methods at different length and time scales act as important supplements to experimental *** this work,we present a compact review on recent advancements in the numerical simulations of material-oriented diamond cutting,in which representative machining phenomena are systematically summarized and discussed by multiscale simulations such as molecular dynamics simulation and finite element simulation:the anisotropy cutting behavior of polycrystalline material,the thermo-mechanical coupling tool-chip friction states,the synergetic cutting responses of individual phase in composite materials,and the impact of various external energetic fields on cutting *** particular,the novel physics-based numerical models,which involve the high precision constitutive law associated with heterogeneous deformation behavior,the thermo-mechanical coupling algorithm associated with tool-chip friction,the configurations of individual phases in line with real microstructural characteristics of composite materials,and the integration of external energetic fields into cutting models,are ***,insights into the future development of advanced numerical simulation techniques for diamond cutting of advanced structured materials are also *** aspects reported in this review present guidelines for the numerical simulations of ultra-precision mechanical machining responses for a variety of materials.

关键词： diamond cutting ultra-smooth surface material-oriented physics-based simulation model molecular dynamics finite element

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Design of Photothermal Covalent Organic Frameworks by Radical Immobilization

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CCS Chemistry 2022年第8期4卷 2842-2853页

作者： Xiaohui Tang Zhongxin Chen Qing Xu Yan Su Hong Xu Satoshi Horike Huanhuan Zhang Yuan Li Cheng Gu State Key Laboratory of Luminescent Materials and Devices Institute of Polymer Optoelectronic Materials and DevicesSouth China University of TechnologyGuangzhou 510640 CAS Key Laboratory of Low-Carbon Conversion Science and Engineering Shanghai Advanced Research Institute(SARI)Chinese Academy of Sciences(CAS)Shanghai 201210 Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084 Institute for Integrated Cell-Material Sciences Institute for Advanced StudyKyoto UniversityYoshidaSakyo-kuKyoto 606-8501 Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates South China University of TechnologyGuangzhou 510640

Covalent organic frameworks(COFs)characterized by structural diversity,face-to-face stacking and open channels exhibit unique advantages as photothermal materials but have rarely been applied in solar-driven water evaporation due to complicated framework design,tedious synthesis,and low solar-to-vapor ***,we report a materials design strategy to produce efficient and robust photothermal COF by anchoring nonemissive radicals to the pore surface by a[2+2]cycloaddition–retroelectrocyclization reaction.

关键词： covalent organic frameworks radicals photothermal conversion water evaporation

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Construction of immobilized films photocatalysts with CdS clusters decorated by metal Cd and BiOCl for photocatalytic degradation of tetracycline antibiotics

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Chinese Chemical Letters 2022年第8期33卷 3705-3708页

作者： Jiajia Li Ziwei Zhao Zhuoning Li Huijuan Yang Shijun Yue Yuping Tang Qizhao Wang Key Laboratory of Shaanxi Administration of Traditional Chinese Medicine for TCM Compatibility and State Key Laboratory of Research&Development of Characteristic Qin Medicine Resources(Cultivation)and Shaanxi Key Laboratory of Chinese Medicine Fundamentals and New Drugs Researchand Shaanxi Collaborative Innovation Center of Chinese Medicinal Resources IndustrializationShaanxi University of Chinese MedicineXianyang 712046China School of Water and Environment Chang'an UniversityXi'an 710064China College of Chemistry and Chemical Engineering Northwest Normal UniversityLanzhou 730070China Institute of Advanced Electrochemical Energy School of Materials Science and Engineering Xi'an University of Technologyand Shaanxi International Joint Research Centre of Surface Technology for Energy Storage MaterialsXi'an 710048China

A kind of CdS/Cd-BiOCl immobilized films photocatalyst was *** optical and physicochemical properties of the CdS/Cd-BiOCl photocatalysts were analysed,and the detailed characterization revealed CdS/Cd-BiOCl films photocatalyst with good charge carrier separation *** reusabilities and photocatalytic properties of the samples were *** 15%Cd S/Cd-Bi OCl photocatalyst exhibited superior performance in photocatalytic degradation of tetracycline(TC)and favorable stability under visible light *** for the photodegradation rate of TC,15%CdS/Cd-BiOCl exhibited an excellent photodegradation activity,which is 4.06 and 9.53 times higher than that of Cd S/Cd and Bi OCl,*** results showed that dominant active species are·O_(2)^(-)and·OH radicals during *** charge transfer in Z-scheme CdS/Cd-BiOCl films photocatalyst could synchronously generate conduct band(CB)electrons in BiOCl and valence band(VB)holes in CdS,and metal Cd served as electron *** work can be a reference for the design of film photocatalysts and new insight for photodegradating towards contaminants.

关键词： CdS/Cd-BiOCl immobilized films photocatalyst Photodegradation mechanism Environmental remediation Charge separation Tetracycline

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Cold spray additive manufacturing of Invar 36 alloy:microstructure,thermal expansion and mechanical properties

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Journal of Materials Science & technology 2021年第13期72卷 39-51页

作者： Chaoyue Chen Yingchun Xie Longtao Liu Ruixin Zhao Xiaoli Jin Shanqing Li Renzhong Huang Jiang Wang Hanlin Liao Zhongming Ren State Key Laboratory of Advanced Special Steels School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Guangdong Academy of Science Guangdong Institute of New MaterialsNational Engineering Laboratory for Modern Materials Surface Engineering TechnologyThe Key Lab of Guangdong for Modern Surface Engineering TechnologyGuangzhou 510651China Research Institute Baoshan Iron&Steel Co.LtdShanghai 200431China ICB UMR 6303 CNRSUniv.Bourgogne Franche-ComtéUTBMF-90010 BelfortFrance

In this work,the Invar 36 alloys were manufactured using cold spray(CS)additive manufacturing *** systematic investigations were made on the microstructural evolution,thermal expansion and mechanical properties under as-sprayed(AS)and heat-treated(HT)***(X-ray diffraction)and ICP-AES(inductively coupled plasma atomic emission spectroscopy)analyses show that no phase transformation,oxidation,nor element content change have *** X-ray computed tomography(XCT)exhibited a near fully dense structure with a porosity of 0.025%in the helium-produced sample under as-sprayed condition,whereas the nitrogen-produced samples produced at 5 MPa and 800℃show more irregular pore ***-AS sample shows a more prominent grain refinement than that of nitrogen samples due to the more extensive plastic *** post heat-treatment exhibited a promoted grain growth,inter-particle diffusion,as well as the formation of annealing ***25℃and 200℃,the nitrogen samples possessed lower CTE(coefficient of thermal expansion)values(1.53×10^(-6)/℃)compared with those produced by casting and laser additive *** He-AS samples exhibited a noticeable negative CTE value between 25℃and 200℃,which may due to the significant compressive residual stress(-272 MPa)compensating its displacement with temperature increase during CTE *** N2-HT and He-HT Invar 36 samples present a notable balance between strength and *** conclusion,the CS technique can be considered as a potential method to produce the Invar36 component with high thermal and mechanical performance.

关键词： Cold spray Additive manufacturing Invar 36 alloy Coefficient of thermal expansion Tensile test

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Local structural origin of relaxor antiferroelectric behavior in NaNbO3-based ceramics

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Chemical engineering Journal 2025年 514卷

作者： Meng, Xiangyu Yuan, Liran Li, Dongxu Wang, Pengbin Guo, Qinghu Gan, Xiaoyan Yao, Zhonghua Liu, Hanxing Wu, Jinsong Zhang, Shujun Hao, Hua State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China National Energy Key Laboratory for New Hydrogen-Ammonia Energy Technologies Foshan Xianhu Laboratory Foshan528200 China Nanostructure Research Center Wuhan University of Technology Wuhan430070 China Institute for Superconducting and Electronic Materials Faculty of Engineering and Information Sciences University of Wollongong WollongongNSW2500 Australia

Relaxor-antiferroelectrics (relaxor-AFEs), known for their double polarization–electric field (P-E) hysteresis loops and relaxor characteristics, exhibit outstanding energy storage performance compared to other dielectric materials. However, the origins of their antiferroelectric-like behavior and relaxor features remain unclear due to their complex local structure. In this study, we designed relaxor-AFEs with a high degree of relaxor component and stable antiferroelectric behavior. The recoverable energy density (Wrec) of up to 4.6J/cm3 and energy efficiency of ∼ 79 % were achieved in a 0.76NaNbO3-0.16Na0.5Bi0.5TiO3-0.08CaTiO3 ceramic, demonstrating excellent thermal and frequency stability. The multiphase local polarization configuration was confirmed by atomic-resolution annular dark-field scanning transmission electron microscopy (ADF STEM). Additionally, integrated differential phase contrast (iDPC) images revealed an enhanced antiferrodistortion (AFD) induced by incorporating component with low tolerance factor, contributing to stable antiferroelectric behavior. The relationship between chemical heterogeneity, polarization configuration and energy storage performance was systematically established. This work provides insights into the structure origin and underlying mechanisms for relaxor-AFE performance, with potential implications to guide the development of advanced energy-storage dielectric materials. © 2025 Elsevier B.V.

关键词： Antiferroelectric materials

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Roles of Al/Ni Ratio and Solidification Cooling Rate in Grain Boundary engineering of AlxCrFeMnNi(2-x) High Entropy Alloy

SSRN

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SSRN 2024年

作者： Wang, Tianxiang X. Wu, Yanxin X. Liu, Wenqiang Q. Xiong, Chengyue Y. Jiang, Haitao T. National Engineering Research Center for Advanced Rolling and Intelligent Manufacturing University of Science and Technology Beijing Beijing100083 China State Key Laboratory of Advanced Forming Technology and Equipment Beijing National Innovation Institute of Lightweight Ltd. Beijing101407 China

In this work, the roles of Al/Ni ratio and solidification cooling rate in grain size, dendrite morphology and grain boundary characteristic of the AlxCrFeMnNi(2-x) (x=0.3, 0.7 and1.0) high-entropy alloys (HEAs) were investigated. The results show that the increasing of Al/Ni ratio results in a transition from single-phase FCC to dual-phase BCC+B2 along with the reverse precipitation behavior of BCC phase. While the phase composition is not affected by solidification cooling rate. With the increasing of Al/Ni ratio and solidification cooling rate, a significant columnar-to-equiaxed transition (CET) behavior can be observed. That is, grain refinement and transition from columnar dendrites to equiaxial and cellular dendrites. This is mainly attributed to the constitutional supercooling (CS) caused by the solute interaction effect of Al and Ni, and which can be evaluated by P and Q parameters. In addition, in-situ formation of serrated grain boundaries (SGBs) can be also observed in solidification microstructures, and with the increasing of Al/Ni ratio, the proportion of SGBs increases gradually. Whether the B2 precipitated phase is present or not, the formation mechanism of SGBs is mainly attributed to the lattice strain energy. The strategy simultaneously achieving grain refinement, CET and in-situ forming SGBs during solidification by tailoring Al/Ni ratio opens new perspectives for grain boundary engineering. © 2024, The Authors. All rights reserved.

关键词： Grain boundaries

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Dynamic stabilization of ablative Rayleigh-Taylor instability in the presence of a temporally modulated laser pulse

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Physical Review E 2024年第2期109卷 025213-025213页

作者： K. G. Zhao Z. Y. Li L. F. Wang Z. H. Di C. Xue H. Zhang J. F. Wu W. H. Ye C. T. Zhou Y. K. Ding W. Y. Zhang X. T. He Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology Center for Intense Laser Application Technology and College of Engineering Physics Shenzhen Technology University Shenzhen 518118 People's Republic of China Institute of Applied Physics and Computational Mathematics Beijing 100094 People's Republic of China HEDPS Center for Applied Physics and Technology Peking University Beijing 100871 People's Republic of China State Key Laboratory for Geomechanics and Deep Underground Engineering China University of Mining and Technology Beijing 100083 People's Republic of China

This paper presents a numeric study of the dynamic stabilization of the ablative Rayleigh-Taylor instability (ARTI) in the presence of a temporally modulated laser pulse. The results show that the specially modulated laser produces a dynamically stabilized configuration near the ablation front. The physical features of the relevant laser-driven parameters in the unperturbed ablative flows have been analyzed to reveal the inherent stability mechanism underlying the dynamically stabilized configuration. A single-mode ARTI for the modulated laser pulse is first compared with that of the unmodulated laser pulse. The results show that the modulated laser stabilizes the surface perturbations and reduces the linear growth rate and enhancement of the cutoff wavelength. For multimode perturbations, the dynamic stabilization effect of the modulated laser pulse contributes to suppress the small-scale structure and reduce the width of the mixing layer. Moreover, the results show that the stabilization effect of the modulated laser pulse decreases as the maximum wavelength increases.

关键词： High-energy-density plasmas Inertial confinement fusion Rayleigh-Taylor instability

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An efficient route to prepare suspended monolayer for feasible optical and electronic characterizations of two-dimensional materials

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InfoMat 2022年第2期4卷 126-138页

作者： Yuan Huang Yun-Kun Wang Xin-Yu Huang Guan-Hua Zhang Xu Han Yang Yang Yunan Gao Lei Meng Yushu Wang Guang-Zhou Geng Li-Wei Liu Lin Zhao Zhi-Hai Cheng Xin-Feng Liu Ze-Feng Ren Hui-Xia Yang Yufeng Hao Hong-Jun Gao Xing-Jiang Zhou Wei Ji Ye-Liang Wang Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijingChina Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijingChina Songshan Lake Materials Laboratory DongguanChina State Key Laboratory for Artificial Microstructure and Mesoscopic Physics School of PhysicsPeking UniversityBeijingChina Frontiers Science Center for Nanooptoelectronics&Collaborative Innovation Center of Quantum Matter BeijingChina State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianChina Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuanChina Minzu University of China BeijingChina National Laboratory of Solid State Microstructures College of Engineering and Applied SciencesJiangsu Key Laboratory of Artificial Functional MaterialsCollaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjingChina School of Information and Electronics MIIT Key Laboratory for Low-Dimensional Quantum Structure and DevicesBeijing Institute of TechnologyBeijingChina Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials&Micro-Nano Devices Renmin University of ChinaBeijingChina National Center for Nanoscience and Technology(NCNST)of China BeijingChina Haian Institute of New Technology Nanjing UniversityHaianChina University of Chinese Academy of Sciences BeijingChina

Two-dimensional(2D)materials are highly sensitive to substrates,interfaces,and the surrounding *** 2D materials are free from substrate-induced effects,thus an ideal approach to study their intrinsic ***,it is very challenging to prepare large-area suspended 2D materials with high *** we report a universal method,based on pretreatments of densely patterned hole array substrates with either oxygenplasma or gold film deposition,to prepare large-area suspended mono-and few-layer 2D *** structural,optical,and electrical characterization tools were used to fully evaluate the improved performance of various suspended 2D *** of these observations reported in this study are:(1)Observation of a new Raman low frequency mode for the suspended MoS_(2);(2)Significantly stronger photoluminescence(PL)and second harmonic generation(SHG)signals of suspended WSe_(2),which enables the study of new optical transition processes;(3)The low energy electron diffraction pattern on suspended MoS_(2) also exhibits much sharper spots than that on the supported area;and(4)The mobility of suspended graphene device approaches 300000 cm^(2) V^(-1) s^(-1),which is desirable to explore the intrinsic properties of *** work provides an innovative and efficient route for fabricating suspended 2D materials,and we expect that it can be broadly used for studying intrinsic properties of 2D materials and in applications of hybrid active nanophotonic and electronic devices.

关键词： mechanical exfoliation photoluminescence Raman spectrum suspended 2D materials

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Defects‑Rich Heterostructures Trigger Strong Polarization Coupling in Sulfides/Carbon Composites with Robust Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第1期17卷 528-547页

作者： Jiaolong Liu Siyu Zhang Dan Qu Xuejiao Zhou Moxuan Yin Chenxuan Wang Xuelin Zhang Sichen Li Peijun Zhang Yuqi Zhou Kai Tao Mengyang Li Bing Wei Hongjing Wu Mengyang Li Bing Wei Hongjing Wu School of Physics Xidian UniversityXi’an 710071People’s Republic of China School of Advanced Materials and Nanotechnology State Key Discipline Laboratory of Wide Band Gap Semiconductor TechnologyXidian UniversityXi’an 710071People’s Republic of China School of Microelectronics Xidian UniversityXi’an 710071People’s Republic of China School of Telecommunication Engineering Xidian UniversityXi’an 710071People’s Republic of China MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary School of Physical Science and TechnologyNorthwestern Polytechnical UniversityXi’an 710072People’s Republic of China The Ministry of Education Key Laboratory of Micro and Nano Systems forAerospace School of Mechanical EngineeringNorthwestern PolytechnicalUniversityXi’an 710072People’s Republic of China

Defects-rich heterointerfaces integrated with adjustable crystalline phases and atom vacancies,as well as veiled dielectric-responsive character,are instrumental in electromagnetic *** methods,however,constrain their delicate ***,an innovative alternative is proposed:carrageenan-assistant cations-regulated(CACR)strategy,which induces a series of sulfides nanoparticles rooted in situ on the surface of carbon *** unique configuration originates from strategic vacancy formation energy of sulfides and strong sulfides-carbon support interaction,benefiting the delicate construction of defects-rich heterostructures in M_(x)S_(y)/carbon composites(M-CAs).Impressively,these generated sulfur vacancies are firstly found to strengthen electron accumulation/consumption ability at heterointerfaces and,simultaneously,induct local asymmetry of electronic structure to evoke large dipole moment,ultimately leading to polarization coupling,i.e.,defect-type interfacial ***“Janus effect”(Janus effect means versatility,as in the Greek two-headed Janus)of interfacial sulfur vacancies is intuitively confirmed by both theoretical and experimental investigations for the first ***,the sulfur vacancies-rich heterostructured Co/Ni-CAs displays broad absorption bandwidth of 6.76 GHz at only 1.8 mm,compared to sulfur vacancies-free CAs without any dielectric *** defects-rich heterostructures,this one-pot CACR strategy may steer the design and development of advanced nanomaterials,boosting functionality across diverse application domains beyond electromagnetic response.

关键词： Defects-rich heterointerfaces Sulfides Polarization coupling Electromagnetic wave absorption

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Boosting photocatalytic hydrogen evolution of g-C_(3)N_(4) catalyst via lowering the Fermi level of co-catalyst

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Nano Research 2022年第2期15卷 1128-1134页

作者： Hairui Cai Bin Wang Laifei Xiong Jinglei Bi Hanjing Hao Xiaojing Yu Chao Li Jiamei Liu Shengchun Yang MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter Key Laboratory of Shaanxi for Advanced Materials and Mesoscopic PhysicsState Key Laboratory for Mechanical Behavior of MaterialsSchool of PhysicsXian Jiaotong UniversityNo.28 West Xianning RoadXi'an 710049China Shaanxi Collaborative Innovation Center for Hydrogen Fuel Cell Performance Improvement Xian Jiaotong UniversityNo.28 West Xianning RoadXi'an 710049China School of Materials Science and Engineering Xi'an University of TechnologyXi'an 710048China Instrument Analysis Center of Xian Jiaotong University Xian Jiaotong UniversityNo.28 West Xianning RoadXi'an 710049China

The photocatalytic performances are highly dependent on the charge separation and surface reaction kinetics of *** at figuring out the effects of co-catalyst with the lower Fermi level on photocatalytic activity,we tuned the Fermi level of Pt nanoparticles on g-C_(3)N_(4)(GCN)by introducing Co *** results show that lowering the Fermi level of co-catalyst does not alter light absorption of GCN due to the invariable ***,Pt_(3)Co with a lower Fermi level contributes less positive influence on charge separation in GCN due to an opposite effect from the stronger electron-trap ability of Pt_(3)Co and increased band bending in GCN-Pt_(3)*** density functional theory(DFT)calculations indicate that GCN-Pt_(3)Co has faster surface reaction kinetics than GCN-Pt,owing to easier dissociation of H_(2)O molecules and faster desorption of H^(*)on Pt_(3)***,GCN-Pt_(3)Co exhibits an excellent H_(2) evolution rate with 2.91 mmol g^(-1)·h^(-1),which 2.67 times that of GCN-Pt.

关键词： Schottky heterojunction surface reactions band bending Fermi level photocatalytic hydrogen evolution

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