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Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong Liu Jing-Yuan Liu Wen-Wei Jiang Key laboratory of Fine Chemical engineering and Functional materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

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Ultra-high-temperature application of MXene: Stabilization of 2D Ti_(3)C_(2)T_(x) for cross-scale strengthening and toughening of 3D TiC

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Journal of Advanced Ceramics 2024年第1期13卷 1-10页

作者： Lu Liu Guobing Ying Quanguo Jiang Dong Wen Peng Wang Meng Wu Ziying Ji Yongting Zheng Xiang Wang Department of materials Science and engineering College of Mechanics and MaterialsHohai UniversityNanjing 211100China Key laboratory of Superlight materials&Surface Technology Ministry of EducationHarbin Engineering UniversityHarbin 150001China Shenzhen Key laboratory for Advanced materials School of Materials Science and EngineeringHarbin Institute of Technology(Shenzhen)Shenzhen 518055China Center for Composite materials and Structures Harbin Institute of TechnologyHarbin 150001China

Transition metal carbide/nitride cores within MXenes make them considerably useful for ultra-high-temperature ***,extensive research on Ti_(3)C_(2)T_(x) MXene has revealed its tendency to undergo a phase transition to TiCy at temperatures above 800℃due to high activity of a superficial Ti atomic ***,spark plasma sintering of Ti_(3)C_(2)T_(x) and TiC is performed to prevent the Ti_(3)C_(2)T_(x) phase transition at temperatures up to 1900℃through the fabrication of composites at a pressure of 50 *** a focused ion beam scanning electron microscope to separate layered substances in the composites and examining selected area diffraction spots in a transmission electron microscope enabled identification of non-phase-transitioned ***-principles calculations based on density functional theory indicated the formation of strong chemical bonding interfaces between Ti_(3)C_(2)T_(x) and TiC,which imposed a stability constraint on the Ti atomic layer at the Ti_(3)C_(2)T_(x) *** performance tests,such as three-point bending and fracture toughness analysis,demonstrated that the addition of Ti_(3)C_(2)T_(x) can effectively improve the cross-scale strengthening and toughening of the TiC matrix,providing a new path for designing and developing two-dimensional(2D)carbides cross-scale-enhanced three-dimensional(3D)carbides with the same elements relying on a wide variety of MXenes.

关键词： MXene ultra-high-temperature phase stability interface bonding cross-scale strengthening and toughening structural ceramic composites

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Indentation behavior of a semi-infinite piezoelectric semiconductor under a rigid flat-ended cylindrical indenter

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Applied Mathematics and Mechanics(English Edition) 2024年第4期45卷 649-662页

作者： Shijing GAO Lele ZHANG Jinxi LIU Guoquan NIE Weiqiu CHEN State Key laboratory of mechanical Behavior and System Safety of Traffic engineering Structures Shijiazhuang Tiedao UniversityShijiazhuang 050043China School of mechanical engineering Shijiazhuang Tiedao UniversityShijiazhuang 050043China Hebei Key laboratory for Mechanics of Intelligent materials and Structures Department of Engineering MechanicsShijiazhuang Tiedao UniversityShijiazhuang 050043China State Key laboratory of Computer Aided Design and Computer Graphics Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceDepartment of Engineering MechanicsZhejiang UniversityHangzhou 310027China

This paper theoretically studies the axisymmetric frictionless indentation of a transversely isotropic piezoelectric semiconductor(PSC)half-space subject to a rigid flatended cylindrical *** contact area and other surface of the PSC half-space are assumed to be electrically *** the Hankel integral transformation,the problem is reduced to the Fredholm integral equation of the second *** equation is solved numerically to obtain the indentation behaviors of the PSC half-space,mainly including the indentation force-depth relation and the electric potential-depth *** results show that the effect of the semiconductor property on the indentation responses is limited within a certain range of variation of the steady carrier *** dependence of indentation behavior on material properties is also analyzed by two different kinds of *** element simulations are conducted to verify the results calculated by the integral equation technique,and good agreement is demonstrated.

关键词： piezoelectric semiconductor(PSC) insulating indenter electromechanical response singular integral equation finite element simulation

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A novel Tb^(3+) and Eu^(3+) co-doped dual-emitting phosphate K_(3)SrBi(P_(2)O_(7))_(2) phosphor for application in FIR thermometers

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Journal of Rare Earths 2024年第3期42卷 455-463,I0001页

作者： Baochen Wang Shifeng Sun Zeqi Li Zongwang Li Weiwei Lin Chao Zeng Yan-gai Liu Ruiyu Mi School of Chemical and Environmental engineering Anhui Polytechnic UniversityWuhu241000China State-Province Joint engineering laboratory of Zeolite Membrane materials Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of EducationInstitute of Advanced MaterialsCollege of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang330022China Beijing Key laboratory of materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of GeosciencesBeijing100083China

Rare earth co-doped phosphor for fluorescence intensity ratio(FIR) thermometer has gained increasing attention in recent years. Herein, the novel Tb^(3+)and Eu^(3+)co-doped K_(3)SrBi(P_(2)O_(7))_(2)(KSBP) phosphate phosphors were reported. The crystal structure of the title phosphor was determined using Rietveld refinement and proved to have a three-dimensional structure. The time-resolved spectroscopy reveals that there is almost no energy transfer between Tb^(3+)and Eu^(3+). More importantly, Tb^(3+)and Eu^(3+)emissions show different thermal quenching behaviors, which claims the potential of this material for application in optical thermometer. The FIR of the typical KSBP:0.02Tb^(3+),0.04Eu^(3+)sample demonstrates a polynomial relationship as a function of temperature and the absolute and relative sensitivity are0.025 K^(-1) and 0.59%/K, respectively. In general, our study reports a novel and potential KSBP:Tb^(3+),Eu^(3+)phosphate phosphor that is promising for use in high-sensitive FIR thermometers.

关键词： Phosphor Thermometer Fluorescence intensity ratio Thermal stability Rare earths

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Enhanced electrochemical performance of Li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3) solid electrolyte by anion doping

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Nano Research 2024年第3期17卷 1465-1472页

作者： Jingrui Kang Xu Guo Rui Gu Honglei Hao Yi Tang Jiahui Wang Li Jin Hongfei Li Xiaoyong Wei Electronic materials Research laboratory Key Laboratory of the Ministry of Education&International Center for Dielectric ResearchSchool of Electronic and Information EngineeringXi’an Jiaotong UniversityXi’an 710049China School of Energy and materials Shanghai Key Laboratory of Engineering Materials Application and EvaluationShanghai Polytechnic UniversityShanghai 201209China

Nowadays,the majority of the studies on the substitution are focused on cations(such as Y^(3+),Ti^(4+),P^(5+),etc.)in Li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3)(LATP),while there are few studies on the substitution of anion O^(2-).In this work,the modified LATP with a series of LiCl(LATPClx,x=0.1,0.2,0.3,0.4)additives is prepared to enhance ionic *** successful introduction of Cl-makes the length of the c axis decrease from 20.822(2)to 20.792(1)Å,and the bulk conductivity of 2.13×10^(-3) S·cm^(-1) is achieved in LATPCl_(0.3).Moreover,the Al/Ti-O1/Cl1 and Al/Ti-O_(2)/Cl_(2) distance decrease,while the Li1-O_(2)/Cl_(2) distance *** ions migrate more easily in the nanochannel of *** addition,the LiCl additive increases the relative density and the grain boundary conductivity of LATPClx ***,a higher ionic conductivity of 2.12×10^(–4) S·cm^(-1) and a low activation energy of 0.30 eV are obtained in LATPCl_(0.3).Correspondingly,the symmetric cell exhibits a low overpotential of±50 mV for over 200 h in LATPCl_(0.3).The solid-state Li|LATPCl_(0.3)|NCM811(NCM811=LiNi0.8Co0.1Mn0.1O_(2))battery exhibits high initial capacity 185.1 mAh·g^(-1) with a capacity retention rate of 95.4%after 100 cycles at 0.5 *** result suggests that LiCl additive is an effective strategy to promote electrochemical properties of LATP solid electrolyte and can be considered for reference to other inorganic solid electrolytes systems.

关键词： Li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3)(LATP)solid electrolyte anion doping ionic conductivity cyclic performance

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In-situ thermal Raman mapping and stress analysis of CNT/CF/epoxy interfaces

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新型炭材料（中英文） 2024年第4期39卷 703-714页

作者： HE Jing-zong CHEN Shi MA Zheng-kun LU Yong-gen WU Qi-lin State Key laboratory for Modification of Chemical Fibers and Polymer materials College of Materials Science and EngineeringDonghua UniversityShanghai 201620China

A study of the interfacial behavior and internal thermal stress distribution in fiber-reinforced composites is essential to assess their performance and ***/carbon fiber(CF)hybrid fibers were constructed using electrophoretic *** interfacial properties of CF/epoxy and CNT/CF/epoxy composites were statistically investigated and compared using in-situ thermal Raman mapping by dispersing CNTs as a Raman sensing medium(CNT_(R))in a *** associated local thermal stress changes can be simulated by capturing the G'band position distribution of CNT_(R) in the epoxy at different *** was found that the G'band shifted to lower positions with increasing temperature,reaching a maximum difference of 2.43 cm^(−1) at 100℃.The interfacial bonding between CNT/CF and the matrix and the stress distribution and changes during heat treatment(20-100℃)were investig-ated in *** work is important for studying thermal stress in fiber-reinforced composites by in-situ thermal Raman mapping technology.

关键词： Thermal Raman mapping Stress distribution Carbon fiber Carbon nanotube Interface

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Cross-linked Electrospun Gel Polymer Electrolytes for Lithium-Ion Batteries

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Chinese Journal of Polymer Science 2024年第8期42卷 1021-1028页

作者： Xue Gong Qin Xiao Qing-Yin Li Wen-Cui Liang Feng Chen Long-Yu Li Shi-Jie Ren College of Polymer Science and engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065China

Lithium-ion batteries(LIBs)benefit from an effective electrolyte system design in both terms of their safety and energy storage ***,a series of precursor membranes with high porosity were produced using electrospinning technology by mixing PVDF and triblock copolymer(PS-PEO-PS),resulting in a porous structure with good interconnections,which facilitates the absorbency of a large amount of electrolyte and further increases the ionic conductivity of gel polymer electrolytes(GPEs).It has been demonstrated that post-cross-linking of the precursor membranes increa ses the rigidity of the nanofibers,which allows the polymer film to be dimensionally sta ble up to 260℃while maintaining superior electrochemical *** obtained cross-linked GPEs(CGPEs)showed high ionic conductivity up to 4.53×10^(-3)S·cm^(-1).With the CGPE-25,the assembled Li/LiFeP04 half cells exhibited good rate capability and maintained a capacity of 99.4%and a coulombic efficiency of99.3%at 0.1 *** results suggest that the combination of electrospinning technique and post-cross-linking is an effective method to construct polymer electrolytes with high thermal stability and steadily decent electrochemical performance,particularly useful for Lithium-ion battery applications that require high-temperature usage.

关键词： Electrospinning Cross-linked Gel polymer electrolytes Lithium-ion batteries

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Adaptive sampling for corrugated plate digitization using a laser displacement sensor

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Science China(Technological Sciences) 2024年第5期67卷 1510-1523页

作者： WU ChengXing QI Qi CHEN BaiJin YANG JiXiang DING Han State Key laboratory of Intelligent Manufacturing Equipment and Technology School of Mechanical Science and EngineeringHuazhong University of Science and TechnologyWuhan430074China State Key laboratory of Intelligent Manufacturing Equipment and Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan430074China

The surface quality of a corrugated plate directly determines the heat transfer property of the thermal power mechanical *** detection methods are impractical for real-world production,being slow and *** contrast,the point laser displacement sensor,employing the optical triangle method,emerges as a promising device for assessing parts with variable curvature and highly reflective *** its benefits,high-density sampling by an innate frequency introduces challenges such as data redundancy and a poor signal-to-noise ratio,potentially affecting the efficiency and precision of subsequent data *** address these challenges,adjustable frequency data sampling has been developed for this sensor,allowing adaptive sampling for corrugated plate *** process begins with surface digitization to extract discrete points,which are transformed into intersection curves using the B-spline fitting ***,dominant points are identified,considering multigeometric constraints for curvature and arch ***,the sampling signal is adjusted based on the distribution information of dominant *** results indicate that the proposed method effectively minimizes redundant sampling without compromising the accurate capture of essential geometric features.

关键词： corrugated plate laser displacement sensor adaptive sampling dominant point curvature arch height

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The Effect of Blending Ratio on the Structure and Properties of the PPR/PS In situ Fiber Reinforced System Prepared by Multi-Flow Vibration Injection Molding

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Chinese Journal of Polymer Science 2024年第6期42卷 851-863页

作者： Yan-Jiang Li Meng-Long Hu Jun-Wen Zhang Qiang Fu Jie Zhang College of Polymer Science and engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu610065China

To enhance the mechanical properties of polypropylene random copolymer(PPR),polystyrene(PS)with four different contents were added to the PPR matrix through melt ***,using the Multi-Flow Vibration Injection Molding(MFVIM)technology,PPR/PS in situ microfiber composites(MFC)with different blending ratios were *** results indicated that blending ratio had a great impact on the phase morphology and crystal structure of MFVIM samples,which was different from those of conventional injection molding(CIM)*** ultrafine fibers could be formed under the shear field and could absorb the PPR molecular chains to form hybrid shish-kebab ***,the PPR matrix could also form shish-kebab structures under the effect of strong *** the PS content reached 20%,under the combined action of PS in situ microfibers and highly oriented crystal structure,the tensile strength and Young’s modulus of the sample were obviously improved and the impact strength remained at a relatively high *** a strong and tough balanced PPR based material was *** results provide valuable insights for expanding the industrial and daily-life applications of PPR and show promising development prospects.

关键词： PPR MFVIM In situ microfibers Shearfield Hybrid shish-kebab structures

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Influence of Mass Ratio of Resin and Stabilizer on mechanical Properties of Mo Fiber-reinforced Granite Polymer Composite

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Journal of Wuhan University of Technology(materials Science) 2024年第4期39卷 912-920页

作者：张超任秀华 BA Dongzhe ZHANG Jianhua LI Jianyong GUO Mengnan GAO Yinghao WANG Guixin LI Jiayang School of mechanical and Electronic engineering Shandong Jianzhu UniversityJinan 250101China Key laboratory of High Efficiency and Clean mechanical Manufacture Ministry of Education of ChinaSchool of Mechanical EngineeringShandong UniversityJinan 250061China

Because inferior mechanical strength of granite polymer composite(GPC)has become the main drawback limiting its application and popularization,Mo fibers were added into(GPC)to improve its mechanical *** properties of matrix materials with different mass ratio of resin and stabilizer(MRRS)were investigated *** influences of MRRS on interface bonding strength of Mo fiber-matrix,wettability and mechanical strength of GPC were discussed,respectively,and the theoretical calculation result of MRRS k was obtained,with the optimal value of k=*** k=4,tensile strength,tensile strain and fracture stress of the cured resin achieve the maximum *** for k=7,the corresponding values reach the *** the increase of MRRS k,surface free energy of the cured resin first increases and then decreases,while contact angles between Mo sample and matrix have displayed the opposite *** of resin to Mo fiber is the best at k=*** load of Mo fiber and interface bonding strength appear the maximum at k=4,followed by k=5,k=3 the third,and k=7 the *** k=4,mechanical properties of Mo fiber-reinforced GPC are optimal,which is consistent with the result of theoretical *** study is of great significance to get better component formulas of Mo fiber reinforced GPC and to improve its application in machine tools.

关键词： polymer composite fiber mechanical strength interface bonding

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