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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

Bioinspired 4D Printing Shape-Memory Polyurethane Rhinoplasty Prosthesis for Dynamic Aesthetic Adjustment

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Journal of Bionic Engineering 2024年第3期21卷 1397-1411页

作者： Jiaqi liu Guiwei Li He liu Jincheng Wang Hui Wang Xue Gao Qingping liu Chenyu Wang Department of Plastic and Reconstructive Surgery The First Hospital of Jilin UniversityChangchun130021China Department of Orthopaedics The Second Hospital of Jilin UniversityChangchun130041China Key Laboratory of Bionic Engineering(Ministry of Education) Jilin UniversityChangchun130022China

The disparity between the postoperative outcomes of rhinoplasty and the expected results frequently necessitates secondary or multiple surgeries as a compensatory measure,greatly diminishing patient ***,there is renewed optimism for addressing these challenges through the innovative realm of Four-Dimensional(4D)*** groundbreaking technology enables three-dimensional objects with shape-memory properties to undergo predictable transformations under specific external ***,implants crafted using 4D printing offer significant potential for dynamic *** by worms in our research,we harnessed 4D printing to fabricate a Shape-Memory Polyurethane(SMPU)for use as a nasal augmentation *** choice of SMPU was guided by its Glass Transition Temperature(Tg),which falls within the acceptable temperature range for the human *** attribute allowed for temperature-responsive intraoperative self-deformation and postoperative *** chosen animal model for experimentation was *** into account the anatomical structure of the rabbit nose,we designed and produced nasal augmentation prostheses with superior *** prostheses were then surgically implanted in a minimally invasive manner into the rabbit ***,they exhibited successful temperature-controlled in-surgery self-deformation according to the predetermined shape and non-invasive remodeling within a mere 9 days *** histological evaluations confirmed the practical viability of these prostheses in a living *** research findings posit that worm-inspired 4D-printed SMPU nasal prostheses hold significant promise for achieving dynamic aesthetic adjustments.

关键词： 4D printing Shape memory polyurethane Rhinoplasty Self-deformation Dynamic aesthetic adjustment

Accurate Source-Receiver Positioning Method for a High-Resolution Deep-Towed Multichannel Seismic Exploration System

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Journal of Ocean University of China 2024年第2期23卷 415-426页

作者： LI Jing liu Kai WEI Zhengrong ZHANG Liancheng liu Yangting PEI Yanliang liu Chenguang liu Baohua Key Laboratory of Marine Geology and Metallogeny First Institute of OceanographyMNRQingdao 266061China Laboratory for Marine Geology Laoshan LaboratoryQingdao 266061China College of Ocean Science and Engineering Shandong University of Science and TechnologyQingdao 266590China Key Laboratory of Fluid Transmission Technology of Zhejiang Province Zhejiang Sci-Tech UniversityHangzhou 310018China

The near-seabed multichannel seismic exploration systems have yielded remarkable successes in marine geological disaster assessment,marine gas hydrate investigation,and deep-sea mineral exploration owing to their high vertical and horizontal ***,the quality of deep-towed seismic imaging hinges on accurate source-receiver positioning *** light of existing technical problems,we propose a novel array geometry inversion method tailored for high-resolution deep-towed multichannel seismic exploration *** method is independent of the attitude and depth sensors along a deep-towed seismic streamer,accounting for variations in seawater velocity and seabed slope *** approach decomposes the towed line array into multiline segments and characterizes its geometric shape using the line segment distance and pitch *** optimization parameters for seawater velocity and seabed slope angle,we establish an objective function based on the model,yielding results that align with objective *** the particle swarm optimization algorithm enables synchronous acquisition of optimized inversion results for array geometry and seawater *** validation using theoretical models and practical data verifies that our approach effectively enhances source and receiver positioning inversion *** algorithm exhibits robust stability and reliability,addressing uncertainties in seismic traveltime picking and complex seabed topography conditions.

关键词： high-resolution deep-towed multichannel seismic exploration source-receiver positioning array geometry inversion seawater heterogeneity seabed slope angle

Polyimide covalent organic frameworks as efficient solid-state Li^(+) electrolytes

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Science China Chemistry 2024年第5期67卷 1647-1652页

作者： Xu liu Shi Wang Siqi liu Chengfang liu Xiangchun Li Jian Wu Dazhi Li Shihao Xu Chongyang liu Wen-Yong Lai State Key Laboratory of Organic Electronics and Information Displays(SKLOEID) Institute of Advanced Materials(IAM)School of Chemistry and Life SciencesNanjing University of Posts&TelecommunicationsNanjing 210023China

Covalent organic frameworks(COFs) are attractive porous crystalline materials with extremely high stability, easy functionalization, and open channels, which are expected to be unique ion conductors/transporters in lithium ion batteries(LIBs). Despite recent advances, low ion conductivity and low transference number, resulting in low charging/discharging rate, low energy density, and short battery life, are the main issues that limit their direct application as solid electrolytes in LIBs. Here, we designed and synthesized a novel polyimide COF, namely, TAPA-PDI-COF, with abundant C=O groups, which has been successfully employed as high-performance solid electrolytes by doping TAPA-PDI-COF and succinonitrile(SN). Both the well-defined nanochannels of COFs and SN confined in the well-aligned channels restricted the free migration of anions, while C=O on COFs and CN groups of SN enhanced Li^(+) transport, thus achieving a high ion conductivity of 0.102 m S cm^(-1)at 80 °C and a high lithium-ion transference number of 0.855 at room temperature. According to density functional theory(DFT)calculations, Li-ion migration mainly adopted in-plane transport rather than the axial pathway, which may be due to the shorter hopping distances in the planar pathway. The results suggest an effective strategy for the design and development of all-solidstate ionic conductors for achieving high-performance LIBs.

关键词： lithium ion batteries(LIBs) covalent organic frameworks(COFs) solid-state ion conductors solid-state electrolytes ion conductivity

Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

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Defence Technology（防务技术） 2024年第3期33卷 613-620页

作者： Hongliang Kang Xue Yang Wenshuo Yuan Lei Yang Xinghan Li Fusheng liu Zhengtang liu Qijun liu Bond and Band Engineering Group School of Physical Science and TechnologySouthwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China

By combination of the transient Raman spectroscopic measurement and the density functional theoretical calculations,the structural evolution and stability of TATB under shock compression was *** to the improvement in synchronization control between two-stage light gas gun and the transient Raman spectra acquisition,as well as the sample preparation,the Raman peak of the N-O mode of TATB was firstly observed under shock pressure up to 13.6 GPa,noticeably higher than the upper limit of 8.5 GPa reported in available *** taking into account of the continuous shift of the main peak and other observed Raman peaks,we did not distinguish any structural transition or any new ***,both the present Raman spectra and the time-resolved radiation of TATB during shock loading showed that TATB exhibits higher chemical stability than previous *** reveal the detailed structural response and evolution of TATB under compression,the density functional theoretical calculations were conducted,and it was found that the pressure make N-O bond lengths shorter,nitro bond angles larger,and intermolecular and intra-molecular hydrogen bond interactions *** observed red shift of Raman peak was ascribed to the abnormal enhancement of H-bound effect on the scissor vibration mode of the nitro group.

关键词： TATB Raman spectra Structural evolution Shock loading

Recurrent Neural Network Inspired Finite-Time Control Design

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IEEE/CAA Journal of Automatica Sinica 2024年第6期11卷 1527-1529页

作者： Jianan liu Shihua Li Rongjie liu School of Automation Southeast UniversityNanjing 210096China Department of Statistics Florida State UniversityFL 32304 USA IEEE

Dear Editor,This letter is concerned with the role of recurrent neural networks(RNNs)on the controller design for a class of nonlinear *** by the architectures of RNNs,the system states are stacked according to the dynamic along with time while the controller is represented as the neural network *** build the bridge between RNNs and finite-time controller,a novel activation function is imposed on RNNs to drive the convergence of states at finite-time and propel the overall control process *** stability proof is briefly provided for the convergence of the proposed finite-time *** last,a numerical simulation example is presented to illustrate the efficiency of the proposed *** networks can be classified as static(feedforward)and dynamic(recurrent)nets[1].The former nets do not perform well in dealing with training data and using any information of the local data structure[2].In contrast to the feedforward neural networks,RNNs are constituted by high dimensional hidden states with dynamics.

关键词： dynamics finite proof

On electro-acoustic characteristics of a marine broadband sparker for seismic exploration

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Journal of Oceanology and Limnology 2024年第3期42卷 760-771页

作者： Jing LI Kai liu Liancheng ZHANG Chenguang liu Yanliang PEI Baohua liu Key Laboratory of Marine Geology and Metallogency First Institute of OceanographyMinistry of Natural ResourcesQingdao 266061China Laboratory of Marine Geology Laoshan LaboratoryQingdao 266237China Key Laboratory of Fluid Transmission Technology of Zhejiang Province Zhejiang Sci-Tech UniversityHangzhou 310018China Key Laboratory of Submarine Acoustic Investigation and Application of Qingdao(Preparatory) Qingdao 266061China Key Laboratory of Deep Sea Mineral Resources Development Shandong(Preparatory)Qingdao 266061China

The construction of major marine infrastructure projects and the exploration and development of deep-sea mineral resources require fine imaging of seabed strata and *** highresolution marine seismic exploration based on a high broadband sparker source is an important approach to reveal seabed stratum and reservoir structure,and identify *** optimize the performance of sparker seismic source,we investigated the electro-acoustic characteristics of spark discharge under conditions of different charging voltages and electrode *** show that the sound source level increased with the increase of the charging voltage,whereas the main frequency decreased when the charging voltage *** addition,it was found that the charging capacitance had more obvious influence on the main frequency than the sound source level *** the load energy decreased with increasing electrode number,the sound source level still increased but the main frequency ***,the primary to bubble(P/B)ratio increased with the increase of the electrode *** gain a deeper insight into the electro-acoustic characteristics,we investigate the relationship between sound source level and power peak,from which a good correlation was observed.A more practical statistical analysis on the rise rate of current was processed,and a perfect logarithmic function was ***,we found that the main frequency was most possibly subjected to the electrical energy,especially the charging energy per *** results indicate that the charging energy per electrode less than 10 J could increase the main frequency to above 300 *** last,the main frequency could be reduced to 20 Hz when the charging energy of a single-electrode discharge was enhanced to over 4 *** study shall be helpful in developing a sparker seismic source and improving the performance for marine engineering exploration and geohazard assessment.

关键词： high-resolution marine seismic exploration sparker seismic source sound source level main frequency electro-acoustic characteristics

Performance of composite foundations with different load transfer platforms and substratum stiffness over silty clay

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Journal of Mountain Science 2024年第5期21卷 1761-1774页

作者： ZHANG Shuming liu Yan YUAN Shengyang liu Xianfeng JIANG Guanlu liu Junyan School of Civil Engineering and Architecture University of JinanJinan 250022China The Engineering Technology Research Center for Urban Underground Engineering Supporting and Risk Monitoring of Shandong Province Jinan 250022China School of Civil Engineering Southwest Jiaotong UniversityChengdu 610031China Key Laboratory of High-speed Railway Engineering Ministry of EducationSouthwest Jiaotong UniversityChengdu 610031China

The semi-rigid pile-supported composite foundation is widely used in highway projects due to its effectiveness in increasing the bearing capacity and stability of *** is crucial to understand the stress distribution across the embankment width and the behaviour of unreinforced ***,five centrifuge tests were conducted to examine the bearing and deformation behaviours of NPRS(Non-Connected Piled Raft Systems)and GRPS(GeosyntheticReinforced Pile-Supported systems)with varying substratum stiffness,then a comparative analysis was conducted on embankment settlement,pressures underneath the embankments,and axial forces along the *** results indicated that greater substratum stiffness correlates with reduced settlement and deformation at various *** occurring 5 meters from the embankment toe includes settlement in NPRS and upward movement in *** potential sliding surface is primarily located within the embankment in NPRS,whereas it may extend through both the embankment and foundation in *** pile-soil stress ratio and efficiency in NPRS are higher than in GRPS across the *** axial force borne by end-bearing piles is significantly greater than that by floating *** the buried depth increases,the axial force in GRPS initially rises then declines,whereas in NPRS,it remains relatively constant within a certain range before *** study aids in assessing the applicability of composite foundations in complex railway environments and provides a reference for procedural measures under similar conditions.

关键词： Centrifuge modelling Composite foundation Failure mode Load transfer platform Substratum Stiffness Silty clay

Atomistic study on the microscopic mechanism of grain boundary embrittlement induced by small dense helium bubbles in iron

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Nuclear Science and Techniques 2024年第3期35卷 84-95页

作者： Lei Peng Yong-Jie Sun Jing-Yi Shi Yi-Fei liu Shang-Ming Chen liu-liu Li State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China

The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion *** order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics *** results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile *** atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation ***,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at *** bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation ***,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.

关键词： Helium bubble Grain boundary Embrittlement Reduced activation ferritic martensitic steel Molecular dynamics Bain path