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Porous organic cages as a novel platform for second harmonic generation

science China Chemistry 2024年第11期67卷 3669-3674页

作者： Feng Shui Yunqin Zhang Mao Yi Xiongli Liu Lin Li Shuo Zhang Yongshen Zheng Yongtao Yao Qiao Zhao Baiyan Li Xianhe Bu School of Materials Science and Engineering National Institute for Advanced MaterialsTKL of Metal and Molecule-Based Material ChemistryNankai UniversityTianjin 300350China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150080China

Second harmonic generation(SHG) is one of the most extensively applied nonlinear optical phenomena. Compared to traditional inorganic SHG materials, organic SHG materials, including non-centrosymmetric small molecular crystals and organic polymers, have been extensively explored for SHG optics due to their advantageous properties, including high light-induced damage threshold, ultrafast response speed, high polarization ratio, wide transparency range, and elevated dielectric constant. However,in organic SHG materials, most small molecular crystals often show poor thermal stability(<200 ℃) due to their low molecular weight, which is an important obstacle for practical application under high temperatures. On the other hand, the difficulty in the growth of large-size crystals as well as the disorderly array of chromospheres on polymer chains associated with organic polymers have hindered their widespread application in SHG due to the requirements of processability and ***, it is significantly necessary to develop novel organic SHG material with high thermal stability, large-size crystals,excellent processability, high homogeneity, and a well SHG effect. In the contribution, we developed herein porous organic cages(POCs) as a novel platform for SHG optics. Thanks to its inherent macromolecular composition and zero-dimensional discrete structures, POCs can not only solve the instability problem of small molecule crystals but also overcome the drawbacks in growing large-size crystals for organic polymer. The obtained two POCs with chiral asymmetric centers(CPOC-R-5 and CPOCS-7) display advantageous features for SHG optics including well SHG performance, large-size crystal(5 mm×3 mm×1 mm),high thermal stability(≥250 ℃), wide transparency window(750–2,000 nm) and high polarization ratio(up to 94.5%). This work thus develops POCs as a new platform toward the construction of organic NLO materials with the potential application in sorts of SHG optics.

关键词： porous organic cages second harmonic generation novel SHG platform high thermal stability large-size single crystal

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Development of lutetium oxide continuous fibers with excellent mechanical properties

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Journal of advanced Ceramics 2023年第1期12卷 24-35页

作者： Yongshuai XIE Ying PENG Youmei WANG Dehua MA Yuan CHENG Luyi ZHU Jiecai HAN Xinghong ZHANG National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001China State Key Laboratory of Crystal Materials Institute of Crystal MaterialsShandong UniversityJinan 250100China

The difficulty of reducing the diameter of lutetium oxide(Lu_(2)O_(3))continuous fibers below 50μm not only limits the flexibility of the sample but also seriously affects their application and development in high-energy *** this work,a Lu-containing precursor with high ceramic yield was used as raw material,fiberized into precursor fibers by dry *** pressure-assisted water vapor pretreatment(PAWVT)method was creatively proposed,and the effect of pretreatment temperature on the ceramization behavior of the precursor fibers was *** regulating the decomposition behavior of organic components in the precursor,the problem of fiber pulverization during heat treatment was effectively solved,and the Lu_(2)O_(3) continuous fibers with a diameter of 40μm were *** with the current reported results,the diameter was reduced by about 50%,successfully breaking through the diameter limitation of Lu_(2)O_(3) continuous *** addition,the tensile strength,elastic modulus,flexibility,and temperature resistance of Lu_(2)O_(3) continuous fibers were researched for the first *** tensile strength and elastic modulus of Lu_(2)O_(3) continuous fibers were 373.23 MPa and 31.55 GPa,*** as-obtained flexible Lu_(2)O_(3) continuous fibers with a limit radius of curvature of 3.5-4.5 mm had a temperature resistance of not lower than 1300℃,which established a solid foundation for the expansion of their application form in the field of high-energy lasers.

关键词： lutetium oxide(Lu_(2)O_(3)) continuous fibers tensile strength flexible temperature resistance

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Nanodiamond reinforced self-healing and transparent poly(urethane-urea)protective coating for scratch resistance

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International Journal of Smart and Nano Materials 2024年第1期15卷 75-94页

作者： Zhuochao Wang Wenxin Cao Chunqiang Sun Dongchao Ji Kunlong Zhao Gang Gao Xingchun Xu Yingqi Liu Tianyu Zhang Jiaqi Zhu Jiecai Han National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbinChina School of future technology Harbin institute of TechnologyHarbinChina Key Laboratory of Micro-systems and Micro-structures Manufacturing Ministry of EducationHarbinChina

With increasing demand for scratch-resistant flexible electro-nics,the development of transparent coatings with good scratch resistance and self-healing properties has emerged as a key research *** this study,a high-strength self-healing poly(urethane-urea)(PUU)-based nanocomposite coating was prepared by introducing functionalized nanodiamond(ND)into a PUU matrix via solution *** PUU matrix had hard-segment repeating units and was constructed using iso-phorone diamine and isophorone *** ND particles were modifed using a silane coupling agent,3-aminopropyl-triethoxysilane,to obtain well-dispersed KH-ND ***-ND promoted microphase separation in the PU matrix,inducing the formation of dense and homogeneous hard domains that dissipated stress,prevented further crack devel-opment,and improved the mechanical properties and scratch resistance of the *** addition,the coating exhibited excellent self-healing ***-transform infrared spectroscopy,scanning electron microscopy,and atomic force microscopy were used to characterize the self-healing and hardening mechanisms of the *** environmentally friendly PUU/KH-ND coating is easy to prepare and has broad application prospects in transparent and anti-scratch coatings for flexible electronics,automobiles,and home appliances.

关键词： Nanocomposite coatings self-healing scratch resistance transparent poly(urethane-urea)

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Synergistic regulation of temperature resistance and thermal insulation performance of zirconia-based ceramic fibers

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Rare Metals 2023年第12期42卷 4189-4200页

作者： Yong-Shuai Xie Ying Peng Zhe-Zhe Deng Ze Zhu Yuan Cheng De-Hua Ma Lu-Yi Zhu Xing-Hong Zhang State Key Laboratory of Crystal Materials School of Crystal MaterialsShandong UniversityJinan 250100China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001China

ZrO_(2) fiber is a promising high-temperature resistant and heat-insulating fiber ***,the decrease in mechanical properties caused by grain growth at high temperatures seriously affects its *** to achieve the synergy of its temperature resistance and the thermal insulation performance is still the focus of the current *** this work,we started with doping inequivalent elements and studied the phase composition,temperature resistance,and thermal insulation properties of Y_(2)O_(3)-ZrO_(2) ceramic fibers by adjusting the Y/Zr molar *** results showed that Y_(2)O_(3) could enter the crystal lattice of ZrO_(2) and form a solid *** the increase in Y_(2)O_(3) content,the structure of fibers changed from a tetragonal phase to a cubic phase,and the configurational entropy of the system *** larger configuration entropy in the sample could produce a robust steric hindrance effect,inhibiting grain *** heat treatment at 1300℃,the grain size of Y_(2)Zr_(2)O_(7)(Y5Z5)fibers was only 61.8%that of Y_(0.1)Zr_(0.9)O_(1.95)(Y1Z9)*** smaller grain size made the Y5Z5 fibers still have excellent flexibility and deformation recovery performance after heat treatment at 1300℃and could still return to the original state after 85%compression or folded in *** addition,due to the larger configurational entropy,the mean free path of phonon scattering was shortened,thereby improving the thermal insulation performance of the *** short,this work achieves the synergistic effect of temperature resistance and thermal insulation properties of zirconia-based fiber materials only through simple inequivalent element doping.

关键词： Ceramics fiber ZrO_(2) Y_(2)O_(3) Thermal insulation Temperature resistance

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Machine learning-driven insights into biaxial strain-induced anomalous thermal conductivity enhancement of boron arsenide

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science China(Technological sciences) 2025年第5期68卷 1-14页

作者： Yikun LIU Yurong HE Tianqi TANG Jiaqi ZHU School of Energy Science and Engineering Harbin Institute of TechnologyHarbin 150001China Zhengzhou Research Institute Harbin Institute of TechnologyZhengzhou 450000China Heilongjiang Key Laboratory of New Energy Storage Materials and Processes Harbin 150001China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin 150080China

Boron arsenide(BAs)is a promising integrated circuit thermal management material with ultra-high thermal conductivity(κ)and exceptional semiconductor *** practical devices,mechanical stress and strain caused by thermal expansion inevitably affect the thermodynamic properties of heat sink ***,investigation of the effects of stress and strain on theκof BAs is *** assessment and regulation of theκand phonon heat transport of BAs requires consideration of both three-phonon(3ph)and four-phonon(4ph)***,anharmonicity computation using density functional theory is computationally expensive,particularly for the fourth-order interatomic force *** work uses a machine learning-driven moment tensor potential method to evaluate higher-order anharmonicity and extends it to include fourth-order forces,accelerating the calculations *** show that theκof BAs calculated using the moment tensor potential method when considering both 3ph and 4ph processes agrees well with experimental *** contrast,considering the 3ph interaction alone causesκto be *** machine learning approach reduces computational costs by approximately 94%while maintaining comparable accuracy to density functional *** solving the phonon Boltzmann transport equation,the thermal transport properties of BAs under biaxial tensile strains ranging up to 7%are *** shows an anomalousκenhancement when including both 3ph and 4ph interactions,with a maximum enhancement of 15%at a small strain of 1%,primarily because of the weakening of the 3ph *** 2%strain,both the 3ph and 4ph scattering rates increase significantly,causing shorter phonon lifetimes and a monotonic reduction inκ.Additionally,theκtemperature dependence under strain is explored,highlighting temperature’s role in modulating phonon *** study provides machine learning-driven insights into the BAs thermal response under bi

关键词： boron arsenide machine learning potential biaxial strain thermal conductivity enhancement phonon transport

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Spinodal dynamics of metastable glass transition domains in amorphous polymer towards thermomechanically tailorable shape memory effect

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science China(Technological sciences) 2023年第8期66卷 2432-2440页

作者： LIU JingYun LU HaiBao FU Yong-Qing Science and Technology on Advanced Composites in Special Environments Laboratory Harbin Institute of TechnologyHarbin 150080China Faculty of Engineering and Environment Northumbria UniversityNewcastle upon TyneNE18STUK

Glass transition plays a critical role to determine the dynamic behaviors of amorphous shape memory polymers(SMPs).However,the fundamental relationships between shape memory effect(SME)and dynamic glass transition have not been well understood,even though this topic has been studied for *** this study,we apply a mean-square displacement function of Adam-Gibbs(AG)domain size model to explore metastable glass transition between normal glass state and rubbery state of amorphous SMPs,based on both mode-coupling theory and mean-field model.A statistic viscosity equation is formulated to study the dynamic glass transition of metastable AG domains in an amorphous SMP.A dynamically spinodal model is also developed to connect dynamic glass transitions to thermomechanical processes,based on statistic viscosity equation and phase transition ***,using the spinodal models,multiple shape memory behaviors have been predicted for amorphous SMPs with dual-,triple-and quadruple-SMEs,resulted from their different routes of themomechanical ***,the proposed models are verified using the experimental data reported in literature.

关键词： shape memory polymer glass transition dynamics metastable

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A tree-growing graphic model for asymmetrical phantom networks in polymeric gels undergoing dynamic mechanochemical coupling

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science China(Technological sciences) 2024年第2期67卷 558-567页

作者： SHI WeiLin ZHOU Jian LU HaiBao ELMARAKBI Ahmed FU Yong-Qing National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150080China College of Mechanical and Vehicle Engineering Hunan UniversityChangsha 410082China Faculty of Engineering and Environment University of NorthumbriaNewcastle upon Tyne NEI 8STUK

Network structures of various polymers have significant effects on their mechanical properties;therefore,numerous studies have investigated the constitutive relationship between symmetrical network structures and their rubber elasticity in ***,few studies have focused on asymmetrical network structures in polymers that undergo bond exchange reactions,selfassembly,or mechanochemical coupling—all of which are induced by transition probabilities of chemical bonding *** this study,an extended constraint junction and phantom network model is formulated using the tree-growing theory to establish a constitutive relationship between asymmetrical network structures and their rubber elasticity in polymers.A free-energy equation is further developed to explore working principles of configurational transitions on the dynamic rubber elasticity of symmetrical and asymmetrical network *** constitutive relationship between dynamic rubber elasticity and symmetrical and asymmetrical network structures has also been proposed for the gels undergoing mechanochemical and hydromechanical ***,the effectiveness of this newly proposed tree-growing model has been verified by comparing with the classical affine network model,finite element analysis,and the experimental results of gels reported in literature.

关键词： gel polymer network rubber elasticity asymmetric

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High mass-loading and binder-free flexible vanadium-based oxide cathode for zinc-ion battery via a bridge of MXene

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Journal of Materials science & technology 2023年第12期143卷 84-92页

作者： Kan Fang Fei Li Gui-Gen Wang Yi-Lin Liu Man-Lin Tan Da-Qiang Zhao Hua-Yu Zhang Jie-Cai Han Shenzhen Key Laboratory for Advanced Materials School of Materials Science and EngineeringHarbin Institute of TechnologyShenzhen 518055China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150080China Research Institute of Tsinghua University in Shenzhen Shenzhen 518055China

Flexible zinc-ion batteries(ZIBs)are promising power sources for portable devices due to their high safety and low production ***,the low mass-loading and limited areal capacity of cathode materials are the major problems blocking the practicability of ***,a high mass-loading and binder-free flexible vanadium oxide(MCV@CC)cathode with a large areal capacity was fabricated via the bridge effect of *** functional MXene bridge induces the growth of the vanadium oxide active layer on the carbon cloth(CC)flexible *** binder-free cathode can reduce the electrochemically inactive weight of the whole electrode,which enhances the energy density of ***,the MCV@CC cathode(mass-loading of∼7 mg cm^(−2))delivers a desirable areal capacity(2.36 mAh cm^(−2))and good cycling stability(capacity retention of 86.1%after 1200 cycles at 10 mA cm^(−2)).Moreover,several ex-situ characterization results indicate that the reaction mechanism upon battery cycling is based on the reversible Zn^(2+)/H^(+)(de)intercalation in the vanadium oxide ***,the assembled quasi-solid-state MCV@CC//Zn flexible battery exhibits decent performance at different bending *** a bridge effect strategy sheds light on the construction of high mass-loading flexible electrodes for ZIBs applications.

关键词： Zinc-ion batteries Vanadium oxide MXene bridge High mass-loading Flexible electrode

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The preparation, microstructure, and performance of MoAlB-Si ceramic sintered from combustion-synthesized powder

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Ceramics International 2025年第16期51卷 21800-21809页

作者： Yu, Wanjun Ding, Qizhang Li, Xiangming Zhang, Enliang Han, Wenbo Zheng, Yongting Qi, Yushi School of Environment and Materials Engineering Yantai University Yantai264005 China School of Materials Science and Engineering Harbin Institute of Technology Weihai264209 China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of Technology Harbin150080 China

To streamline the preparation process and improve the performance of the MoAlB phase, the technical potential of an ultra-fast combustion synthesis followed by hot pressing to prepare the MoAlB–Si ceramic was investigated. During the combustion process, the Si atoms occupied the Al positions, which forms a Mo(Al,Si)B solid solution phase. Si doping resulted in the effective grain refinement of the hot-pressed MoAlB-Si ceramic. The grain-refined and solid-solution-strengthened MoAlB-Si ceramic exhibits excellent mechanical properties with a compressive strength of 2.63 GPa, flexural strength of 650 MPa, fracture toughness of 7.26 MPa m1/2, and Vickers hardness of 13.32 GPa. At elevated temperatures, a newly formed oxidation-derived dense and continuous layer on the surface prevents the inward diffusion of oxygen and the volatilisation of oxidation products, indicating good oxidation resistance of the MoAlB-Si ceramic. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Compressive strength

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An SPH model reconstruction framework with fragment mapping method for multiplate structure hypervelocity impact simulation

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Advances in Space Research 2025年第11期75卷 8140-8157页

作者： Cao, Xu Zhou, Jianqiu Xu, Huadong Song, Di Miao, Changqing National Key Laboratory of Science and Technology on Advanced Composites in Special Environment Harbin Institute of Technology Harbin150001 China School of Basic Medical Sciences Harbin Medical University Harbin150001 China School of Mechanical and Electrical Engineering University of Electronic Science and Technology of China Sichuan Chengdu611731 China

Smoothed Particle Hydrodynamics (SPH) method is widely used in hypervelocity impact analysis, but it is computationally inefficient for common multiplate structures, such as multi-shock, mesh double-bumper, and stuffed shields. To improve the efficiency and accuracy of the SPH method, a reconstruction framework is proposed, including a fragment identification method, a fragment mapping method, and a sequential modeling and simulation approach. In the reconstruction framework, the total impact simulation of a multiplate structure consisting of n plates is decomposed into n individual impacts on each plate. To reduce the computation for each impact, a fragment identification method and a fragment mapping method are developed. Fragments generated from the impact with the i-th plate (i © 2025 COSPAR

关键词： 3D reconstruction

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