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Precise phase adjustment and antibacterial property of copper sulfide particles in confined mesoporous silica nanoreactor

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Particuology 2024年第2期85卷 113-121页

作者： Shiyu Xu Jinyong Wu Zhongzhen Ren Dechao Niu Low Dimensional materials Chemistry Laboratory Key Laboratory for Ultrafine Materials of Ministry of EducationFrontier Science Center of the Materials Biology and Dynamic ChemistryShanghai Engineering Research Center of Hierarchical NanomaterialsSchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237China

Bacteria-caused wound infection greatly threatens human health,thus developing an efficient and safe antibacterial agent without drug resistance is still a great ***,a confined vulcanization strategy is proposed to construct copper sulfides-loaded dual-mesoporous silica nanospheres(Cux-Sy@DMSNs)with various crystal phases for reactive oxygen species(ROS)-mediated and photothermal antibacterial *** the pore confinement of DMSNs,the crystal phases of copper sulfides including CuS,Cu_(9)S_(5)and Cui.96S can be easily controlled by changing the vulcanization *** relationships between the crystal phases and photothermal properties as well as peroxidase-like activity of copper sulfides were systematically *** show that the obtained CuS@DMSNs exhibited higher photothermal ability with remarkable photothermal conversion efficiency of 36.86%in the second near-infrared region(NIR-II)and better peroxidase-like activity,compared to those of Cu_(9)S_(5)@DMSNs and Cu_(1.96)S@*** a result,the in vitro experiments showed the good antibacterial effect against both gram-negative *** and gram-positive *** under 1064 nm laser irradiation and the presence of H_(2)O_(2).Besides,the CCK-8 assay indicated that CuS@p-DMSNs have minimal cytotoxicity against normal human umbilical vein endothelial cells at the ranged ***,the resultant CuS@p-DMSNs could act as a promising antibacterial agent for deep wound bacterial infection treatment.

关键词： Copper sulfides Mesoporous silica Photothermal reactive oxygen species Antibacterial agent

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Identifying the enhancement mechanism of Al/MoO_(3) reactive multilayered films on the ignition ability of semiconductor bridge using a one-dimensional gas-solid two-phase flow model

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Defence Technology（防务技术） 2024年第3期33卷 168-179页

作者： Jianbing Xu Yuxuan Zhou Yun Shen Yueting Wang Yinghua Ye Ruiqi Shen School of Chemistry and Chemical Engineering Nanjing University of Science and TechnologyNanjing 210094China Micro-Nano energetic Devices Key Laboratory of MIIT Nanjing 210094China Institute of Space Propulsion Nanjing University of Science and TechnologyNanjing 210094China

energetic Semiconductor bridge(ESCB)based on reactive multilayered films(RMFs)has a promising application in the miniature and intelligence of initiator and pyrotechnics *** the ignition enhancement mechanism of RMFs on semiconductor bridge(SCB)during the ignition process is crucial for the engineering and practical application of advanced initiator and pyrotechnics *** this study,a one-dimensional(1D)gas-solid two-phase flow ignition model was established to study the ignition process of ESCB to charge particles based on the reactivity of Al/MoO_(3) *** order to fully consider the coupled exothermic between the RMFs and the SCB plasma during the ignition process,the heat release of chemical reaction in RMFs was used as an internal heat source in this *** is found that the exothermal reaction in RMFs improved the ignition performance of *** the process of plasma rapid condensation with heat release,the product of RMFs enhanced the heat transfer process between the gas phase and the solid charge particle,which accelerated the expansion of hot plasma,and heated the solid charge particle as well as gas phase region with low *** addition,it made up for pressure loss in the gas *** the plasma dissipation process,the exothermal chemical reaction in RMFs acted as the main heating source to heat the charge particle,making the surface temperature of the charge particle,gas pressure,and gas temperature rise *** result may yield significant advantages in providing a universal ignition model for miniaturized ignition devices.

关键词： Ignition enhancement mechanism 1D gas-solid two-phase flow Al/MoO_(3)reactive multilayered films Semiconductor bridge Miniaturized ignition device

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Mechanical properties and thermal deformation behavior of low-cost titanium matrix composites prepared by a structure-optimized Y_(2)O_(3) crucible

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Journal of Iron and Steel Research International 2024年第3期31卷 738-751页

作者： Qian Dang Gang Huang Ye Wang Chi Zhang Guo-huai Liu Zhao-dong Wang The State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819LiaoningChina School of materials science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150004HeilongjiangChina School of materials science and Engineering Shenyang University of TechnologyShenyang 110870LiaoningChina

A porous yttrium oxide crucible with both thermal shock resistance and erosion resistance was developed by structural *** structure-optimized yttrium oxide crucible was proved to be suitable for melting highly reactive titanium ***-cost(TiB+Y2O_(3))-reinforced titanium matrix composites were prepared by vacuum induction melting using the prepared *** thermal deformation behavior and microstructure evolution of(TiB+Y2O_(3))-reinforced tita-nium matrix composites were investigated at deformation temperatures of 900-1100℃with strain rates of 0.001-1 *** results showed that the prepared yttrium oxide crucible had both thermal shock and erosion resistance,the low-cost titanium matrix composites could be prepared by the developed yttrium oxide crucibles which were homogeneous in composition and highly sensitive to strain rate and deformation temperature,and the peak and theological stresses decreased with increasing deformation temperature or decreasing strain *** addition,the average thermal deformation activation energy of the composites was calculated to be 574.6 kJ/mol by establishing the Arrhenius constitutive equation in consideration of the strain variables,and the fitting goodness between the predicted stress value and the measured value was 97.624%.The calculated analysis of the hot processing map showed that the best stable thermal deformation zone was located in the deformation temperature range of 1000-1100℃and strain rate range of 0.001-0.01 s^(-1),where the peak dissipation coefficient wasη=71%.In this zone,the deformation of the reinforcement and matrix was harmonious,the reinforcement was less likely to fracture,dynamic recrystallization occurred more fully and the alloy exhibited near steady rheological characteristics.

关键词： Yttrium oxide crucible Titanium matrix composite Thermal deformation behavior Constitutive equation Hot processing map Microstructure evolution

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Molecular dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects

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Defence Technology（防务技术） 2024年第1期31卷 364-374页

作者： Changlin Li Wei Yang Qiang Gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng State Key Laboratory of Explosion science and Technology Beijing Institute of TechnologyBeijing 100081China School of materials science&Engineering Beijing Institute of TechnologyBeijing 100081China

To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force *** is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the *** degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro *** existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more *** has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by *** results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.

关键词： CL-20 co-crystals Molecular dynamics simulation reactive forcefield Impact response Hot spot Void defect

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Accelerating phase-field-based microstructure evolution predictions via surrogate models trained by machine learning methods

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npj Computational materials 2021年第1期7卷 9-19页

作者： David Montes de Oca Zapiain James A.Stewart Rémi Dingreville Center for Integrated Nanotechnologies Sandia National LaboratoriesAlbuquerqueNM 87185USA energetic materials dynamic and reactive science Sandia National LaboratoriesAlbuquerqueNM 87185USA

The phase-field method is a powerful and versatile computational approach for modeling the evolution of microstructures and associated properties for a wide variety of physical,chemical,and biological ***,existing high-fidelity phase-field models are inherently computa fonally expensive,requiring high-performance computing resources and sophisticated numefical integration schemes to achieve a useful degree of *** this paper,we present a computationally inexpensive,accurate,data-driven surmogate model that directly learns the microstructural evolution of targeted systems by combining phase-field and history-dependent machine-learning *** integrate a statisti cally representative,low-dimensianal description of the micrastructure,obtained direcdy from phase-field simulations,with either a time-series multivariate adaptive regression splines autoregressive al garithm or a lang short-term memory neural *** neural-network-trained surrogate model shows the bestperformance and accurately predicts the nanlinear microstructure evolutian of a two-phase mixture during spinodal decomposition in seconds,without the need for"on-the-fly"solutions of the phase-field equations of *** also show that the predictions from our machine learned surrogate model can be fed directly as an input into a classical high-fideli ty phase-field model in order to accelerate the high-fidelity phase field simulations by leaping in *** machine-learned phase-field framework opens a promising path forward to use accelerated phase field simulations for discovering,understanding,and predicting processing-microstructure-performance relationships.

关键词： phase versatile statist

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Phase reconfiguration of heterogeneous CoFeS/CoNiS nanoparticles for superior battery-type supercapacitors

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Journal of Energy Chemistry 2024年第9期96卷 217-225页

作者： Lina Ma Fan Li Min Zhou Jidong Dong Hao Luo Wei Zhang Wenchao Zhao Xinliang Li Zaixing Jiang Yudong Huang College of Chemistry and Chemical Engineering Qingdao UniversityQingdao 266071ShandongChina School of materials science and Engineering Xiamen University of TechnologyXiamen 361024FujianChina Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037JiangusChina Key Laboratory of Material Physics Ministry of EducationSchool of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052HenanChina MIIT Key Laboratory of Critical materials Technology for New Energy Conversion and Storage State Key Laboratory of Urban Water Resource and EnvironmentSchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina Material science and Engineering College Northeast Forestry UniversityHarbin 150040HeilongjiangChina

Developing advanced battery-type materials with abundant active sites,high conductivity,versatile morphologies,and hierarchically porous structures is crucial for realizing high-quality hybrid ***,heterogeneous FeS@NiS is synthesized by cationic Co doping via surface-structure *** density functional theory(DFT)theoretical calculations are firstly performed to predict the advantages of Co dopant by improving the OH^(−)adsorption properties and adjusting electronic structure,benefiting ions/electron *** dynamic surface evolution is further explored which demonstrates that CoFeS@CoNiS could be quickly reconstructed to Ni(Co)Fe_(2)O_(4)during the charging process,while the unstable structure of the amorphous Ni(Co)Fe_(2)O_(4)results in partial conversion to Ni/Co/FeOOH at high potentials,which contributes to the more reactive active site and good structural ***,the free-standing electrode reveals excellent electrochemical performance with a superior capacity(335.6 mA h g^(−1),2684 F g^(−1))at 3 A g^(−1).Furthermore,the as-fabricated device shows a quality energy density of 78.1 W h kg^(−1)at a power density of 750 W kg^(−1)and excellent cycle life of 92.1%capacitance retention after 5000 *** work offers a facile strategy to construct versatile morphological structures using electrochemical activation and holds promising applications in energy-related fields.

关键词： In-situ reconfiguration Heterogeneous design Battery-type supercapacitors Superior performance Sulphide

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Actively contractible and antibacterial hydrogel for accelerated wound healing

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Nano Research 2024年第8期17卷 7394-7403页

作者： Zhaoxin Ji Ting Wei Jiafei Zhu Jiaying Hu Zhisheng Xiao Boxiong Bai Xinying Lv Yu Miao Muchao Chen Cheng Wang Feng Pan Yang Yang Meng Li Qian Chen Institute of Functional Nano and Soft materials Jiangsu Key Laboratory for Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China Department of Thoracic Surgery Shanghai Pulmonary HospitalSchool of MedicineTongji UniversityShanghai 200433China Central Laboratory Shanghai Pulmonary HospitalSchool of MedicineTongji UniversityShanghai 200433China School of materials science and Engineering Tongji UniversityShanghai 201804China Department of dermatology Shanghai Children’s Medical Center School of MedicineShanghai Jiao Tong UniversityShanghai 200025China

Adhesive hydrogel has drawn great attention for wide applications in wound healing owing to its excellent biocompatibility and lasting ***,traditional adhesive hydrogels only keep the wound moist to promote wound *** is still imperative to fabricate adhesive hydrogels that exhibit efficient antibacterial ability,active driving dynamic wound closure,and reactive oxygen species(ROS)scavenging together with excellent mechanical ***,a novel hydrogel based on poly(N-isopropyl acrylamide)(PNIPAAm),a thermoresponsive polymer,and tannic acid(TA)-Ag nanoparticles(TA-Ag NPs)exhibiting active contraction,tissue adhesion,anti-inflammatory and antibacterial functions was ***-Ag dispersed in the hydrogel not only functioned as the catalyst to polymerize the reaction but also provided additional anti-inflammatory and antibacterial ***,tannic acid containing catechol groups endowed the hydrogel with adhesive *** interestingly,the obtained hydrogel exhibited the thermoresponsive shrinkage ability,which could mechanically drive wound closure due to the presence of PNIPAAm *** vivo mouse full-thickness skin defect model demonstrated that this actively contractible and antibacterial hydrogel is a promising dressing to improve wound healing process by accelerating tissue regeneration and preventing bacterial ***,this multi-functional adhesive hydrogel developed here may provide a new possibility for wound healing.

关键词： anti-inflammatory antibacterial active contraction hydrogel patch wound healing

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Revealing Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles in oxygen/fluorine containing environments:A reactive molecular dynamics study meshing together experimental validation

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Defence Technology（防务技术） 2024年第4期34卷 313-327页

作者： Gang Li Chuande Zhao Qian Yu Fang Yang Jie Chen Institute of Chemical materials China Academy of Engineering Physics(CAEP)P.O.Box 919-311Mianyang 621900SichuanChina

Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing *** instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion ***,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion *** this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion *** RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been *** n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion *** results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al *** n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,*** combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion ***,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F *** synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel.

关键词： Al-O/Al—F reaction Kinetic benefits Thermodynamic benefits Molecular dynamics Combustion

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Hybrid Prairie Dog and Beluga Whale Optimization Algorithm for Multi-Objective Load Balanced-Task Scheduling in Cloud Computing Environments

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China Communications 2024年第7期21卷 307-324页

作者： K Ramya Senthilselvi Ayothi Department of Computer science and Engineering SRM Institute of Science and TechnologyRamapuramChennaiTamil Nadu 600089India

The cloud computing technology is utilized for achieving resource utilization of remotebased virtual computer to facilitate the consumers with rapid and accurate massive data *** utilizes on-demand resource provisioning,but the necessitated constraints of rapid turnaround time,minimal execution cost,high rate of resource utilization and limited makespan transforms the Load Balancing(LB)process-based Task Scheduling(TS)problem into an NP-hard optimization *** this paper,Hybrid Prairie Dog and Beluga Whale Optimization Algorithm(HPDBWOA)is propounded for precise mapping of tasks to virtual machines with the due objective of addressing the dynamic nature of cloud *** capability of HPDBWOA helps in decreasing the SLA violations and Makespan with optimal resource *** is modelled as a scheduling strategy which utilizes the merits of PDOA and BWOA for attaining reactive decisions making with respect to the process of assigning the tasks to virtual resources by considering their priorities into *** addresses the problem of pre-convergence with wellbalanced exploration and exploitation to attain necessitated Quality of Service(QoS)for minimizing the waiting time incurred during TS *** further balanced exploration and exploitation rates for reducing the makespan during the task allocation with complete awareness of VM *** results of the proposed HPDBWOA confirmed minimized energy utilization of 32.18% and reduced cost of 28.94% better than approaches used for *** statistical investigation of the proposed HPDBWOA conducted using ANOVA confirmed its efficacy over the benchmarked systems in terms of throughput,system,and response time.

关键词： Beluga Whale Optimization Algorithm(BWOA) cloud computing Improved Hopcroft-Karp algorithm Infrastructure as a Service(IaaS) Prairie Dog Optimization Algorithm(PDOA) Virtual Machine(VM)

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Al/Hf ratio-dependent mechanisms of microstructure and mechanical property of nearly fully dense Al—Hf reactive material

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Defence Technology（防务技术） 2024年第1期31卷 230-241页

作者： Junbao Li Weibing Li Xiaoming Wang ZNDY of Ministerial Key Laboratory Nanjing University of Science and TechnologyNanjing 210094China

This study proposed three types of Al—Hf reactive materials with particle size ratios(a),which were almost completely dense(porosity of<5.40%)owing to their preparation using hot-pressing *** characteristics and phas... 详细信息

This study proposed three types of Al—Hf reactive materials with particle size ratios(a),which were almost completely dense(porosity ofdynamic mechanical behavior and damage mechanism were *** prepared sample with a=0.1 exhibited continuous wrapping of the Hf phase by the Al ***—Hf contact(continuous Hf phase)within the sample gradually increased with increasing a,and a small amount of fine Hf appeared for the sample with a=*** reactive materials exhibited clear strain-rate sensitivity,with flow stressσ0.05and failure strainεfincreasing approximately linearly with increasing strain rate.ε.It is found that the plastic deformation of the material increased with increasing strain *** a increased from 0.1 to 1,the flow stress gradually *** failure of the material was dominated by ductile fracture with a large Al phase plastic deformation band for lower a,while brittle fracture with crushed Hf particles occurred at higher ***,a constitutive model based on BP neural network was proposed to describe the stress-strain relationships of the materials,with an average relative error of 2.22%.

关键词： reactive material Particle size Split Hopkinson pressure bar test Stressestrain relationship Impact failure BP neural network

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