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Separated Active Site and Reaction Space for Multi-Pollutant Elimination Significantly Enhancing Low Toxic Product Selectivity

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advanced Functional Materials 2023年第48期33卷

作者： Wei, Lu Liu, Yuxi Cui, Suping Wang, Can Hsi, Hsing-Cheng Duan, Erhong Peng, Yue Dai, Hongxing Guo, Guangsheng Deng, Jiguang Key Laboratory of Beijing on Regional Air Pollution Control Beijing Key Laboratory for Green Catalysis and Separation Center of Excellence for Environmental Safety and Biological Effects Beijing University of Technology Beijing100124 China Faculty of Materials and Manufacturing Key Laboratory of Advanced Functional Materials Ministry of Education Beijing University of Technology Beijing100124 China School of Environmental Science and Engineering Tianjin University Tianjin300350 China Graduate Institute of Environmental Engineering National Taiwan University Taipei10617 Taiwan School of Environmental Science and Engineering Hebei University of Science and Technology Hebei050018 China State Key Joint Laboratory of Environment Simulation and Pollution Control School of Environment Tsinghua University Beijing100084 China

It is possible to remove volatile organic compounds containing chlorine (CVOCs, such as chlorobenzene) in a single device designed for selective catalytic reduction of NOx with NH3 for the industries containing CVOCs and NOx. Breaking the efficiency-selectivity trade-off in chlorobenzene oxidation remains a major challenge due to the conjugation of halogen atoms with the benzene ring and the reducing nature of NH3. A stepwise synthesis strategy is demontrated to disperse dual Ru/Cu Lewis acid sites outside and inside the zeolite channel. Under the confinement of zeolite, the Ru4+ Lewis acid site on the external surface of the zeolite promotes chlorobenzene oxidation by weakening the p-π conjugate structure of Cl and benzene ring, while the Cu2+ Lewis acid site within the internal channel converts NOx and NH3 to N2. The mutual interference between catalytic oxidation and reduction is successfully avoided. Therefore, the low toxic CO2 and HCl selectivity experience a considerable increase from 21% to 86%, and from 51% to 94% with 91% conversion of chlorobenzene, while maintaining excellent elimination performance for NO (with N2 selectivity exceeding 90%). The incorporation of separated active sites and reaction spaces into the design may offer potentials for other energy and environmental applications. © 2023 Wiley-VCH GmbH.

关键词： Zeolites

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Susceptibility of patients with chronic obstructive pulmonary disease to heart rate difference associated with the short-term exposure to metals in ambient fine particles:A panel study in Beijing,China

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science China(Life sciences) 2022年第2期65卷 387-397页

作者： Ke Gao Xi Chen Xiaoying Li Hanxiyue Zhang Mengxiao Luan Yuan Yao Yifan Xu Teng Wang Yiqun Han Tao Xue Junxia Wang Mei Zheng Xinghua Qiu Tong Zhu State Key Joint Laboratory for Environmental Simulation and Pollution Control and Beijing Innovation Center for Engineering Science and Advanced Technology College of Environmental Sciences and EngineeringPeking UniversityBeijing 100871China Green Research Inspection and Certification Co. Ltd.Institute of Building Research Co.Ltd.in ShenzhenShenzhen 518071China Medical Research Council Centre for Environment and HealthImperial College LondonDepartment of Epidemiology and BiostatisticsLondon W21PGUK Institute of Reproductive and Child Health/Ministry of Health Key Laboratory of Reproductive Health and Department of Epidemiology and Biostatistics School of Public HealthPeking UniversityBeijing 100191China

Susceptibility of patients with chronic obstructive pulmonary disease(COPD)to cardiovascular autonomic dysfunction asso-ciated with exposure to metals in ambient fine particles(PM2.5,particulate matter with aerodynamic diameter≤2.5µm)remains poorly *** on the COPDB(COPD in Beijing)panel study,we aimed to compare the associations of heart rate(HR,an indicator of cardiovascular autonomic function)and exposure to metals in PM2.5 between 53 patients with COPD and 82 healthy controls by using linear mixed-effects *** all participants,the HR levels were significantly associated with interquartile range increases in the average concentrations of Cr,Zn,and Pb,but the strength of the associations differed by exposure time(from 1.4%for an average 9 days(d)Cr exposure to 3.5%for an average 9 d Zn exposure).HR was positively associated with the average concentrations of PM2.5 and certain metals only in patients with *** between HR and exposure to PM2.5,K,Cr,Mn,Ni,Cu,Zn,As,and Se in patients with COPD significantly differed from those in health ***,association between HR and Cr exposure was robust in COPD *** conclusion,our findings indicate that COPD could exacerbate difference in HR following exposure to metals in PM2.5.

关键词： metal in fine particles chronic obstructive pulmonary disease(COPD) susceptibility heart rate cardiovascular auto-nomic function

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A hyperelastic model for hollow fiber-reinforced composites at finite deformation

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Mechanics of Materials 2025年 207卷

作者： Wang, Jialin Chen, Liangbin Hao, Meirong Chen, Yang Guo, Zaoyang Liang, Jun School of Science Harbin Institute of Technology Guangdong Shenzhen518055 China School of Civil Aviation Northwestern Polytechnical University Shaanxi Xi'an710072 China Research & Development Institute of Northwestern Polytechnical University in Shenzhen Northwestern Polytechnical University Guangdong Shenzhen518063 China Division of Atmosphere and Aerospace Information Technology Beijing Institute of Technology Guangdong Zhuhai519088 China Institute of Advanced Structure Technology Beijing Institute of Technology Beijing100081 China Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures Beijing Institute of Technology Beijing100081 China State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing100081 China

This study introduces a micromechanics-based constitutive model to describe the effective hyperelastic behaviors of hollow fiber-reinforced composites under finite deformation. The multiplicative decomposition approach is employed to decompose a general deformation into three fundamental deformations: isochoric uniaxial deformation along the fiber direction, equi-biaxial deformation on the transverse plane, and pure shear deformation. Based on this multiplicative decomposition, the free energy density function of the composites is thus additively decomposed into the three corresponding components. Subsequently, the effective free energy density functions of the composite for triaxial deformation (composed of the isochoric uniaxial deformation along the fiber direction and equi-biaxial deformation on the transverse plane), along-fiber shear, and transverse shear are derived using a cylindrical composite element model. The total free energy density function of the composite is then obtained by summing the contributions of these decomposed deformations. To validate the proposed model, finite element simulations based on representative volume elements are conducted. The effects of fiber volume fraction, fiber/matrix stiffness ratio, and wall thickness of hollow fiber on the effective mechanical behaviors of the composites are explored. The theoretical predictions show excellent agreement with numerical results for all considered cases, demonstrating that the proposed model reliably predicts the effective mechanical response of hollow fiber-reinforced composites under finite deformation. Finally, to further validate the prediction accuracy and computational efficiency of the developed model, it is applied to the structural analysis of a cantilever beam, with results compared to those obtained using the FE2 method. This comparative analysis demonstrates again the accuracy and efficiency of the proposed approach in practical structural analysis. © 2025

关键词： Fiber reinforced plastics

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Penetration damaging behavior of TB17 titanium alloy 20th

Penetration damaging behavior of TB17 titanium alloy

引用

20th Chinese Materials Conference, CMC 2019

作者： Li, Jing Xin, Yunpeng Jiang, Tao Wang, Xinnan Zhu, Zhishou Beijing Institute of Aeronautical Materials Aviation Key Laboratory of Science and Technology on Advanced Titanium Alloys Beijing100095 China

ISBN: (纸本)9783035715668

The damage behavior of TB17 titanium alloy with ultra-high strength was studied by 12.7mm diameter armor piercing test. The damage characteristics and mechanism of damaging were analyzed by the observation of damage morphology of target board. The results indicated that the opening area was irregular at the opening stage, the internal wall turtle-shell-like or poly-porous, a few cracks and no adiabatic shear band was observed. The zone was parabolic at the penetrating stage, the internal wall was granular or river pattern, the adiabatic shear bands and fragments existed around the crater. A large number micro-pores and micro-cracks originating from the adiabatic shear bands expanded, forming macroscopic cracks. Finally, the target board fractured. © 2020 Trans Tech Publications Ltd, Switzerland.

关键词： Titanium alloys

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Analysis of abnormal texture formation and strengthening mechanism in an extruded Mg-Gd-Y-Zn-Zr alloy

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Journal of Materials science & technology 2020年第10期42卷 133-145页

作者： Xueze Jin Wenchen Xu Zhongze Yang Can Yuan Debin Shan BugangTeng Bo Cheng Jin National Key Laboratory for Precision Hot Processing of Metals&School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China Advanced Composites Simulation Lab University of Southern CaliforniaLos AngelesCA 90089-0241USA

A Mg-Gd-Y-Zn-Zr magnesium alloy with different initial states was extruded under different extrusion *** effect of solution treatment and extrusion parameters on the microstructure,texture and mechanical properties were analyzed in detail,and the abnormal texture formation and strengthening mechanism was *** extruded at low temperature and small extrusion ratio,the bimodal microstructure consisting of fine dynamically recrystallized grains and coarse deformed grains occurred both in the as-cast alloy and solution-treated *** the extrusion temperature and extrusion ratio were increased,the amount and size of dynamically recrystallized grains increased and the grain size of the solution-treated alloy showed higher growth ***,an abnormal texture with<0001>parallel with extrusion direction developed due to the occurrence of non-basal slip and continuous dynamic *** could be enhanced by solution treatment,high temperature,and large extrusion *** the as-cast alloy and solution-treated alloy exhibited the highest tensile strength after extrusion at 300℃with an extrusion ratio of *** refinement was the main strengthening mechanism utilized in both the as-cast alloy and the solution-treated *** hardening played an important role in the sample extruded at low temperature and small extrusion ratio,with the highest contribution of about 33 MPa after extrusion at 300℃with an extrusion ratio of *** strengthening contributed more in the sample extruded at high temperature and large extrusion ratio,but no more than 24.1 *** strengthening was another strengthening mechanism in the extruded as-cast alloy,especially at high temperature and large extrusion ratio(no more than 9 MPa).

关键词： Hot extrusion Heat treatment Abnormal texture Strengthening mechanism Quantitative analysis

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Zeeman spin splittings with persistent spin textures in antiferromagnetic semiconductors

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Physical Review B 2023年第12期108卷 125108-125108页

作者： Xinran Liu Hong Jian Zhao Laurent Bellaiche Yanming Ma Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University Changchun 130012 China Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education) College of Physics Jilin University Changchun 130012 China International Center of Future Science Jilin University Changchun 130012 China Physics Department and Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun 130012 China

Realizing sizable Zeeman spin splittings (ZSSs) with persistent spin textures (PSTs) in semiconductors is promising for the design of high-performance spintronic devices. The ZSSs of this kind have long been known in ferromagnetic semiconductors, while whether antiferromagnetic semiconductors—much more plenteous than ferromagnetic semiconductors—can host an analogous effect remains elusive. Here, we show that such ZSSs can occur in antiferromagnetic semiconductors. By symmetry analysis, we find 12 magnetic point groups that can host ZSSs and PSTs, providing theoretical guidelines for screening the corresponding antiferromagnets. Our first-principles calculations further confirm CaTcO3 as an antiferromagnetic semiconductor showcasing ZSSs that are sizable (tens of meV), possibly controllable by a magnetic field, and accompanied with PSTs. Our work thus may open a route towards the application of antiferromagnetic semiconductors in spintronics.

关键词： Dresselhaus coupling Magnetoelectric effect Rashba coupling Zeeman effect Antiferromagnets Multiferroics Perovskites First-principles calculations

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Improved thermal properties and CMAS corrosion resistance of rare-earth monosilicates by adjusting the configuration entropy with RE-doping

SSRN

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SSRN 2023年

作者： He, Yuxuan Xiao, Guozheng Wang, Chao Lu, Xuefeng Li, Liuyuan Liu, Shiying Wu, Yusheng Lin, Jun Liang Wang, Zhanjie School of Materials Science and Engineering Shenyang University of Technology Shenyang110870 China State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Lanzhou University of Technology Lanzhou730050 China Hunan Aviation Powerplant Research Institute Aero Engine Corporation of China Zhuzhou412002 China

The novel rare earth monosilicates (xRE1/x)2SiO5 (RE=Yb, Tm, Er, Y, Dy and Tb, x=2-6) were prepared in order to establish the relationship between configurational entropy and lattice distortion, and explore the effect of configurational entropy on performance. The lattice distortion of (xRE1/x)2SiO5 increased gradually with the increase of configurational entropy, but the multi-principal component solid solution tended to form a highly symmetrical crystal structure when the configurational entropy was large enough, thus inhibiting the lattice distortion. (5RE1/5)2SiO5 had a maximum lattice distortion, which leaded to a relatively low thermal conductivity and coefficient of thermal expansion, and good CMAS corrosion resistance. © 2023, The Authors. All rights reserved.

关键词： Corrosion resistance

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Morphological modifications of C60 crystal rods under hydrothermal conditions

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Chinese Physics B 2020年第12期29卷 506-510页

作者： Ming-Run Du Shi-Xin Liu Jia-Jun Dong Ze-Peng Li Ming-Chao Wang Tong Wei Qing-Jun Zhou Xiong Yang Peng-fei Shen College of Science Civil Aviation University of ChinaTianjin 300300China State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchun 130012China Academy for Advanced Interdisciplinary Studies Southern University of Science and TechnologyShenzhen 519055China

We observed morphological modification of rod-shaped C60 solvate crystals using a facile hydrothermal *** initial C60 rods were changed from smooth rods to rough rods,porous rods or pieces under different hydrothermal *** the hydrothermal treatment,the initial samples underwent a decomposition-recrystallization process,which can be tuned by the content of alcohol in the hydrothermal solution,thereby leading to modification of the morphological properties of the initial C60 *** addition,the rough and porous C60 rods prepared in our work exhibit excellent photoluminescence intensities that are approximately 7 and 3 times higher than those of pure C60 powders,*** results suggest that the hydrothermal method is a potential route for fabricating fullerene materials with controllable morphologies and novel functions.

关键词： fullerene crystals morphological modification porous materials hydrothermal method

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Generation of complete graph states in a spin-1/2 Heisenberg chain with a globally optimized magnetic field

arXiv

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arXiv 2024年

作者： Li, X.X. Li, D.X. Shao, X.Q. Sino-European Institute of Aviation Engineering Civil Aviation University of China Tianjin300300 China College of Physics Science and Technology Shenyang Normal University Shenyang110034 China Center for Quantum Sciences School of Physics Northeast Normal University Changchun130024 China Center for Advanced Optoelectronic Functional Materials Research Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University Changchun130024 China

Graph states possess significant practical value in measurement-based quantum computation, with complete graph states that exhibit exceptional performance in quantum metrology. In this work, we introduce a method for generating multiparticle complete graph states using a spin-1/2 Heisenberg XX chain subjected to a time-varying magnetic field, which applies to a wide range of systems. Our scheme relies exclusively on nearest-neighbor interactions between atoms, with real-time magnetic field formation facilitated by quantum optimal control theory. We focus specifically on neutral-atom systems, finding that multiparticle complete graph states with N = 3 ∼ 6 can be achieved in less than 0.25 µs, using a hopping amplitude of J/(2π) = −2.443 MHz. This assumes an initial state provided by an equal-weight superposition of all spin states that are encoded by the dipolar-interacting Rydberg states. Furthermore, we thoroughly address various experimental imperfections and showcase the robustness of our approach against atomic vibrations, fluctuations in pulse amplitude, and spontaneous emission of Rydberg states. Taking into account the common occurrence of disturbances in the experimental setups of neutral-atom systems, our one-step strategy to achieve such graph states emerges as a viable alternative to techniques based on controlled-Z gates. © 2024, CC BY.

关键词： Rydberg states

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Machine Learning-Based Quantitative Analysis of Metal Ductile Fracture Surface

SSRN

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SSRN 2023年

作者： Zhang, Neng Fu, Hao Liu, Pei Wang, Changxin Zhang, Yan Lookman, Turab Huang, Haiyou Su, Yanjing Institute for Advanced Materials and Technology University of Science and Technology Beijing Beijing100083 China AECC Guizhou Liyang Aviation Power Co. Ltd. Guiyang550014 China Guizhou Key Laboratory of Materials Mechanical Behavior and Microstructure College of Materials and Metallurgy Guizhou University Guiyang550025 China Shunde Innovation School University of Science and Technology Guangdong Beijing528399 China Beijing Key Laboratory of Advanced High Temperature Materials Central Iron & Steel Research Institute Beijing100081 China Beijing GAONA Materials & Technology Co. LTD Beijing100081 China Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology Beijing Beijing100083 China Beijing Key Laboratory of Materials Genome Engineering University of Science and Technology Beijing Beijing100083 China AiMaterials Research LLC Santa FeNM87501 United States

Quantitative fracture analysis （QFA） can infer mechanical properties and fracture mechanism of materials based on quantitative statistics of various topographical features on the fracture surface. However, it is still a challenge to screen the key fracture surface descriptors for a certain property through experimental induction and theoretical derivation and to deduce the accurate quantitative relationship between them due to different properties involving a variety of fracture surface descriptors. Herein, a QFA strategy based on machine learning was proposed. The fracture surface images were first divided into three classes, intergranular, quasi-cleavage and dimple by an unsupervised classification model based on convolutional neural network with the accuracy of 0.867. The fracture surface descriptors of the identified dimple images were extracted by image segmentation method and used to train separate regression models to predict the values of fracture toughness (KIC ), tensile strength (Rm ), yield strength (Re ), elongation after fracture (A) and fracture shrinkage (Z). These models also demonstrate good performance with R2 in the test set are 0.934, 0.944, 0.840, 0.890, 0.900, respectively. In addition, with KIC and Rm as dependent variables, the explicit relationships between them and key morphological features were established based on symbolic regression. The R2 between the predicted and experimental values of the two formulas reach 0.925 and 0.926, respectively. This machine learning-based quantitative analysis tool can assist in the rapid prediction and evaluation of mechanical properties of materials in engineering applications scenarios. © 2023, The Authors. All rights reserved.

关键词： Ductile fracture

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