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Molecular dynamics evaluation of self-diffusion coefficients in two-dimensional dusty plasmas

Chinese physics B 2025年第4期34卷 457-466页

作者： Muhammad Asif Shakoori Misbah Khan Haipeng Li Aamir Shahzad Maogang He Syed Ali Raza School of Materials Science and Physics China University of Mining and TechnologyXuzhou 221116China Department of Refrigeration and Cryogenic Engineering School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049China Department of Physics Government College University Faisalabad(GCUF)Allama Iqbal RoadFaisalabad 38000Pakistan Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education(MOE) Xi’an Jiaotong UniversityXi’an 710049China School of Electrical Engineering Xi’an Jiaotong UniversityXi’an 710049China

We employ the Green–Kubo(G-K)and Einstein relations to estimate the self-diffusion coefficients(denoted as D_(G)and D_(E),respectively)in two-dimensional(2D)strongly coupled dusty plasmas(SC-DPs)via equilibrium molecular dynamics(EMD)simulations.D_(G)and D_(E)are computed for a broad domain of screening length(κ)and coupling parameters(Г)along with different system *** is observed that both D_(G)and D_(E)decrease linearly with increasing G in warm liquid states and increase with increasingκ.In cold liquid states,the Einstein relation accurately predicts D_(E)in 2D SC-DPs because diffusion motion is close to normal diffusion,but the G-K relation provides overestimations of D_(G),because VACF indicates anomalous diffusion;thus,D_(G)is not *** new simulation outcomes reveal that D_(G)and D_(E)remain independent of system ***,our investigations demonstrate that at higher temperatures,D_(G)and D_(E)converge,suggesting diffusion motion close to normal diffusion,while at lower temperatures,these two values *** find reasonable agreement by comparing current and existing numerical,theoretical and experimental ***,when normalizing diffusion coefficients by the Einstein frequency and testing against the universal temperature scaling law,D_(G)deviates from theoretical curves at low temperatures and k,whereas D_(E)only disagrees with theory at very smallκ(■0.10).These findings provide valuable insight into diagnosing dust component parameters within 2D DP systems and contribute to the broader understanding of diffusion processes in DP environments.

关键词： dusty(complex)plasmas self-diffusion coefficients molecular dynamics simulation Green-Kubo and Einstein relations

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Shedding light on neurons:optical approaches for neuromodulation

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National science Review 2022年第10期9卷 34-54页

作者： Shan Jiang Xiang Wu Nicholas J.Rommelfanger Zihao Ou Guosong Hong Department of Materials Science and Engineering Stanford University Wu Tsai Neurosciences Institute Stanford University Department of Applied Physics Stanford University

Today' s optical neuromodulation techniques are rapidly evolving,benefiting from advances in photonics,genetics and materials *** this review,we provide an up-to-date overview of the latest optical approaches for *** begin with the physical principles and constraints underlying the interaction between light and neural *** then present advances in optical neurotechnologies in seven modules:conventional optical fibers,multifunctional fibers,optical waveguides,light-emitting diodes,upconversion nanoparticles,optical neuromodulation based on the secondary effects of light,and unconventional light sources facilitated by ultrasound and magnetic *** conclude our review with an outlo ok on new methods and mechanisms that afford optical neuromodulation with minimal invasiveness and footprint.

关键词： optical neuromodulation optogenetics neural interfaces

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Development of high-flux reverse osmosis membranes with MIL-101(Cr)/Fe_(3)O_(4) interlayer

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Frontiers of materials science 2024年第3期18卷 83-94页

作者： Yanzhuang Jiang Qian Yang Lin Zhang Liyan Yu Na Song Lina Sui Qingli Wei Lifeng Dong College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042China Qingdao University of Science and Technology Analytical&Testing Center Qingdao 266042China Department of Physics Hamline UniversitySt.Paul 55104USA

MIL-101(Cr)has a special pore cage structure that provides broad channels for the transport of water molecules in the reverse osmosis(RO)water separation and *** MIL-101(Cr)with Fe_(3)O_(4) nanoparticles forms a water transport intermediate layer between the polyamide separation membrane and the polysulfone support base under an external magnetic ***-101(Cr)is stable in both water and air while resistant to high *** the introduction of 0.003 wt.%MIL-101(Cr)/Fe_(3)O_(4),the water flux increased by 93.31%to 6.65 L·m^(-2)·h^(-1)·bar^(-1) without sacrificing the NaCl rejection of 95.88%.The MIL-101(Cr)/Fe_(3)O_(4) multilayer membrane also demonstrated certain anti-pollution properties and excellent stability in a 72-h ***,the construction of a MIL-101(Cr)/Fe_(3)O_(4) interlayer can effectively improve the permeability of RO composite membranes.

关键词： reverse osmosis thin film nanocomposite MIL-101(Cr)/Fe_(3)O_(4) multi-layer

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Effect of solute atom adsorption on heterogeneous nucleation by in-situ MgO particles:Experimental and theoretical studies

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Journal of Magnesium and Alloys 2023年第10期11卷 3642-3656页

作者： Liling Mo Hengbin Liao Xiong Zhou Yu-Jun Zhao Jun Du Department of Metallic Materials School of Materials Science and EngineeringSouth China University of Technology381 Wushan RdGuangzhouGuangdong 510640China Department of Physics South China University of Technology381 Wushan RdGuangzhouGuangdong 510640China

The introduction of oxide inclusions during the smelting process has a clear promising heterogeneous nucleation potency on Mg-based alloys, but the mechanism has not been explored clearly yet. In the present work, the grain refinement mechanism of MgO in pure Mg,Mg-3Al and AZ31(Mg-2.9Al-0.9Zn-0.3Mn) alloys is investigated by combing first-principles calculations and experiments. The theoretical results show that solute atoms adsorption will affect the nucleation and the subsequent growth process, which is an important factor affecting the refinement efficiency. A contradiction between the experimental results and the grain growth restriction factor(GRF) theory is observed,that is the refinement ratio of AZ31 is worse than Mg-3Al alloy. This is explained by an adsorption model which reveals that Al promotes the adsorption of Mg on MgO surface so as to stimulate more particles available as nucleating sites. Meanwhile, Fe and Mn also have favorable effects on the adsorption of Mg, Zn may play the opposite role compared to Al. The theoretical analyzes provide a strong support to the experiments that Al benefits the initial nucleation of α-Mg on MgO to promote the grain refining effect of Mg-3Al prior to AZ31 alloy.

关键词： Magnesium alloy First-principles calculation MgO Grain refinement Adsorption

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High-Quality van der Waals Epitaxial CsPbBr_(3)Film Grown on Monolayer Graphene Covered TiO_(2)for High-Performance Solar Cells

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Energy & Environmental materials 2024年第4期7卷 239-246页

作者： Zhaorui Wen Chao Liang Shengwen Li Gang Wang Bingchen He Hao Gu Junpeng Xie Hui Pan Zhenhuang Su Xingyu Gao Guo Hong Shi Chen Institute of Applied Physics and Materials Engineering University of MacaoMacao 999078China MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter State Key Laboratory for Mechanical Behavior of MaterialsSchool of PhysicsXi’an Jiaotong UniversityXi’an 710049China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201204China Department of Materials Science and Engineering&Center of Super-Diamond and Advanced Films City University of Hong KongHong Kong 999077China

Two-dimensional materials have been widely used to tune the growth and energy-level alignment of ***,their incomplete passivation and chaotic usage amounts are not conducive to the preparation of highquality perovskite ***,we succeeded in obtaining higher-quality CsPbBr_(3)films by introducing large-area monolayer graphene as a stable physical overlay on top of TiO_(2)*** from the inert and atomic smooth graphene surface,the CsPbBr_(3)film grown on top by the van der Waal epitaxy has higher crystallinity,improved(100)orientation,and an average domain size of up to 1.22μ***,a strong downward band bending is observed at the graphene/perovskite interface,improving the electron extraction to the electron transport layers(ETL).As a result,perovskite film grown on graphene has lower photoluminescence(PL)intensity,shorter carrier lifetime,and fewer ***,a photovoltaic device based on epitaxy CsPbBr_(3)film is fabricated,exhibiting power conversion efficiency(PCE)of up to 10.64%and stability over 2000 h in the air.

关键词： all-inorganic perovskite solar cells buried interface modification monolayer graphene van der Waals epitaxial growth

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Solvothermal growth of Zn_(2)SnO_(4) for efficient dye-sensitized solar cells

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Rare Metals 2022年第3期41卷 942-950页

作者： Yu-Fen Wang Hui Feng Yi-Rui Deng Fei-Fei Xin De-Jun Li Zhuo-Fan Hu Lei Zhang Rui-Ping Liu Energy and Materials Engineering Centre College of Physics and Materials ScienceTianjin Normal UniversityTianjin 300387China Department of Materials Science and Engineering China University of Mining and Technology(Beijing)Beijing 100083China Department of Mechanical Engineering University of AlaskaFairbanksAlaska 99775-5905USA

Zn_(2)SnO_(4)plates,particles and spheres are suc-cessfully prepared via a facile synthesis way by carefully adjusting the solvothermal conditions,which are further applied as photoanodes in dye-sensitized solar cells(DSSCs)to explore the relationships between the pho-toanode nanostructure and the photovoltaic *** a result,the DSSCs based on Zn_(2)SnO_(4)spheres pho-toanode showcased the best power conversion efficiency(PCE,4.85%),compared to Zn_(2)SnO_(4)plates(3.80%)and particles(4.13%).It is found that Zn_(2)SnO_(4)spheres exhibit the highest light-scattering abilities,as evidenced by ultraviolet–visible(UV–Vis)diffuse reflectance ***,investigations on dynamic electron transport and recombination properties via intensity-modulated photovoltage/photocurrent spectroscopy(IMVS/IMPS),and electrochemical impedance spectroscopy(EIS)mea-surements demonstrate that the Zn_(2)SnO_(4)spheres-based DSSCs possess the fastest electron transport rate,the longest electron lifetime,the highest electron collection efficiency(ηc c),and the largest charge recombination resistance,compared with the Zn_(2)SnO_(4)plates and particles,all of which are highly beneficial for the powder conversion efficiency enhancements.

关键词： Dye-sensitized solar cell Zn_(2)SnO_(4) Plates Particles Spheres

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Interactions between Pre-strain and Dislocation Structures and Its Effect on the Hydrogen Trapping Behaviors

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Acta Metallurgica Sinica(English Letters) 2023年第7期36卷 1193-1202页

作者： Rongjian Shi Yanqi Tu Liang Yang Saiyu Liu Shani Yang Kewei Gao Xu-Sheng Yang Xiaolu Pang Beijing Advanced Innovation Center for Materials Genome Engineering School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing100083China School of Mathematics and Physics University of Science and Technology BeijingBeijing100083China Department of Industrial and Systems Engineering The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Hong Kong Polytechnic University Shenzhen Research Institute Shenzhen518057China Key Laboratory for Advanced Materials of Ministry of Education School of Materials Science and EngineeringTsinghua UniversityBeijing100084China

This work investigated the effect of pre-strain and microstructures and their interactions on hydrogen trapping behaviors in case of 1-GPa high-strength martensitic steel Fe-0.05C-0.30Si-1.10Mn-3.50Ni-0.53Cr-0.50Mo-0.03 V(wt%).We found that the trapped reversible and trapped irreversible hydrogen contents increased significantly after applying a pre-strain of 5%,with an increase in the trapped reversible hydrogen content from 0.6 ppm in the original sample to 2.1 *** hydrogen desorption activation energy also showed a slight *** microstructural evolution revealed that the concomitant dislocation cell-twin duplex microstructure with high-density tangled dislocations after pre-strain substantially increased the trapped reversible hydrogen ***,the tangled dislocations pinned by the nanoprecipitates acted as deep irreversible hydrogen traps,increasing the trapped hydrogen at high temperatures after applying 5%*** findings provide an expanded understanding of the hydrogen trapping behaviors of pre-strained microstructures.

关键词： Hydrogen embrittlement Hydrogen trapping Pre-strain Deformed microstructure High-strength steel

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Synergetic PVA degradation and H2 evolution in photocatalytic fuel cells using Ag@Fe_(2)O_(3) cathode

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Frontiers of Chemical science and engineering 2024年第1期18卷 85-93页

作者： Likun Sun Kesi Xiong Baoning Zhang Jinghong Fang Yingchao He Min Wang Zhixing Gan Fanglin Du Qiong Sun Liyan Yu Lifeng Dong College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042China Center for Future Optoelectronic Functional Materials School of Computer and Electronic InformationNanjing Normal UniversityNanjing 210023China Department of Physics Hamline UniversitySt.Paul 55104USA

In a dual-chamber photocatalytic fuel cell device,polyvinyl alcohol degradation and H2 evolution were concurrently *** setup involved commercial P25 as the photoanode and Ag@Fe_(2)O_(3) nanoparticles as the ***,the feasibility of a Fentonlike reaction in the cathode,utilizing Fe^(2+)ions and pumped O_(2),was *** cathode materials,polyvinyl alcohol types,and pH values’effects were assessed on device *** tests highlighted photoinduced holes(h+)and OH·radicals as pivotal contributions to polyvinyl alcohol ***-term stability of the device was established through cycling experiments.

关键词： photocatalytic fuel cell PVA Ag@Fe_(2)O_(3) cathode materials Fenton-like reaction

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Dielectric Properties of a Ferroelectric Nematic Material: Quantitative Test of the Polarization-Capacitance Goldstone Mode

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Physical Review Letters 2024年第3期133卷 038101-038101页

作者： Alex Adaka Mojtaba Rajabi Nilanthi Haputhantrige Samuel Sprunt Oleg D. Lavrentovich Antal Jákli Materials Science Graduate Program Advanced Materials and Liquid Crystal Institute Department of Physics

The recently discovered ferroelectric nematic (NF) liquid crystals (LC) have been reported to show an extraordinarily large value of the real part of the dielectric constant (ϵ′>103) at low frequencies. However, it was argued by Clark et al. in Phys. Rev. Res. 6, 013195 (2024) that what was measured was the capacitance of the insulating layer at LC or electrode surface and not that of the liquid crystal. Here we describe the results of dielectric spectroscopy measurements of an NF material in cells with variable thickness of the insulating layers. Our measurements quantitatively verify the model by Clark et al. Additionally, our measurements in cells with bare conducting indium tin oxide surface provide a crude estimate of ϵ⊥∼102 in the NF phase.

关键词： Dielectric properties Electronic materials Ferroelectricity Functional materials Liquid crystals

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Advances in grain-boundary diffusion for high-performance permanent magnets

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materials Futures 2024年第4期3卷 41-70页

作者： Prajna Paramita Mohapatra Guomeng Li Perumal Alagarsamy Xiandong Xu College of Materials Science and Engineering Hunan UniversityChangsha 410082People’s Republic of China Department of Physics Indian Institute of Technology GuwahatiGuwahati 781039India

High-performance permanent magnets play an indispensable role in manufacturing highly efficient motors and generators,ultimately contributing to the sustainability of our *** high coercivity(µ0Hc)in hard magnetic materials at or above room temperature without relying on heavy rare-earth elements remains a *** strategies for augmentingµ0Hc utilizing low-cost materials involve inter-granular addition and the grain-boundary diffusion(GBD)*** review provides a comprehensive overview of selected techniques for developing grain-boundary(GB)modification through a specific focus on the reduction of using heavy rare earth(HRE)elements and utilizing cost-effective non-rare earth and light rare earth(LRE)sources for *** date,the successful application of HRE based metals and compounds,and LRE based alloys as diffusion sources has significantly contributed toµ0Hc *** upon global advancements and findings from various research groups,this comprehensive review offers a critical analysis of the fundamentals and progress in GBD processes(GBDPs).Considering the different types of permanent magnets,the GBDPs,based on the diverse diffusion sources and diffusion processes,are thoroughly compared and *** encapsulates the current state of knowledge in the field,providing valuable insights into the ongoing developments in GB modification to improve permanent magnet performance.

关键词： rare earth metal grain-boundary diffusion processes NdFeB magnets coercivity

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