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Role of bonding filling on HER/OER/ORR multifunctional catalytic activity in transition-metals-doped PdPX(X=S,Se,Te)

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Rare Metals 2024年第10期43卷 5126-5140页

作者： Hai-hua huang Wei Li cheng-chao hu Xue-Qin Sun Lin-Guo Lu Xiao-Feng Fan School of Materials Science and Engineering Laboratory of Sensitive Materials and DevicesShandong Department of EducationLiaocheng University School of Environmental and Material Engineering Yantai University Department of Physics University of Puerto Rico Key Laboratory of Automobile Materials (Jilin University) Ministry of EducationCollege of Materials Science and EngineeringJilin University

The development of stable and highly efficien multifunctional electrocatalysts for the hydrogen evolution reaction （HER）,oxygen reduction reaction （ORR） and oxygen evolution reaction （OER） are essential for the efficient conversion and storage of renewable *** significant advantages of single-atom catalysts,such as strong metal slab interactions,unsaturated coordination and efficient atomic utilization,have opened new avenues for designing multifunctional ***,based on density functional theory,a single atom doped PdPX system was designed as a multifunctional electrocatalyst,which demonstrated the synergistic effect between defects and transition metal atoms and led to enhanced catalytic *** results showed that PdPS/PdPSe with P/X vacancy,PdPTe with P/Pd vacancy and Co/Rh/Ir@PdPX exhibited promising HER ***@PdPS（Se）,with an overpotential of 0.56（0.44） V,was predicted to be a promising OER ***,Rh（Ir）@PdPS（Se）catalysts exhibited efficient catalytic properties for ORR Besides,Co@PdPS（Se）,Rh（Ir）@PdPSV（S）,Co@PdP-SeV（Se）and Ir@PdPSV（S）-1exihibited multifunctional catalytic performance with moderate ***,the origin of catalytic activity was revealed by using the crystal orbital Hamilton populations *** a strong adsorption system,proper filling of the anti-bonding state can increase the energy of the system,weaken the adsorption strength,and facilitate the desorption of intermediates Conversely,augmenting bonding states can enhance its adsorption *** findings provide theoretica guidance for the design and fabrication of novel multifunctional electrocatalysts in terms of filling of bondingstate.

关键词： Density functional theory Electrocatalyst Two-dimensional PdPX Water splitting

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Optimizing magnetoelastic properties by machine learning and high-throughput micromagnetic simulation

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Rare Metals 2024年第5期43卷 2251-2262页

作者： Jian-hu Gong Zheng-Ming Zhang cheng-Liang Zhang Peng-Qiang hu chao Zhou Dun-hui Wang Sen Yang Division of Microelectronic Materials and Devices Hangzhou Dianzi UniversityHangzhou 310018China School of Physics MOEKey Laboratory forNonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of MaterialsXi'an Jiaotong UniversityXi'an 710049China National Laboratory of Solid State Microstructures Nanjing UniversityNanjing210093China

Magnetoelastic couplings in giant magnetostrictive materials(GMMs)attract significant interests due to their extensive applications in the fields of spintronics and energy harvesting *** the role of the selection of materials and the response to external fields is essential for attaining desired functionality of a ***,machine learning(ML)models are conducted to predict saturation magnetostrictions(λ_(s))in RFe_(2)-type(R=rare earth)GMMs with different *** to ML-predicted composition–λsrelations,it is discovered that the values ofλshigher than1100×10^(-6)are almost situated in the composition space surrounded by 0.26≤x≤0.60 and 1.90≤y≤2.00 for the ternary compounds of Tb_(x)Dy_(1-x)Fe_(y).Assisted by ML predictions,the compositions are further narrowed down to the space surrounded by 0.26≤x≤0.32 and 1.92≤y≤1.97 for the excellent piezomagnetic(PM)performance in the Tb_(x)Dy_(1-x)Fe_(y)based PM device through our developed high-throughput(HTP)micromagnetic simulation(MMS)***,high sensitivities up to10.22-13.61 m T·MPa^(-1)are observed in the optimized range within which the available experimental data fall *** work not only provides valuable insights toward understanding the mechanism of magnetoelastic couplings,but also paves the way for designing and optimizing highperformance magnetostrictive materials and PM sensing devices.

关键词： Magnetostriction Piezomagnetic effect Machine learning Micromagnetic simulation

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Effects of Ta content on microstructure and oxidation behavior of AlCoCrFeNiYTa_(x)high entropy alloy

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Rare Metals 2024年第9期43卷 4462-4475页

作者： Cang Gu Jun-Hao hu Jian-Bo Song cheng Xu Ming-Yu hu Yu-Xuan Zhang Jiang Tian chao Li Jing Feng Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming 650093China Department of Physics Hong Kong Baptist UniversityHong Kong 999077China

The oxidation behavior of the Al CoCrFeNiYTa_(x)high entropy alloy(HEA)doped with different Ta contents at 1100℃is *** this study,different reasons for the spallation of the oxide scales of HEAs without/with excessive Ta addition after 1000 h of oxidation are discussed,and the most suitable Ta doping content for this HEA is explored,in which the HEA exhibits both an exceptionally low oxidation rate,and the formation of oxide scales composed of intact a-Al_(2)O_(3).Meanwhile,it is found that the addition of Ta can effectively inhibit the phase transition of β phase,which makes the surface of the oxide scale *** combining our experimental results with Wagner–Hauffe theory,the influence of Ta drag effect on oxide scale growth is explained,which provides some theoretical guidance for the subsequent design of AlCoCrFeNi HEAs,and can lead to the development of thermal barrier coatings at higher service temperature.

关键词： High-entropy alloy Al_(2)O_(3)scales Oxidation Elements diffusion

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Comparison of cytokine levels in prostatic secretion between the Ⅲa and Ⅲb subtypes of prostatitis

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Asian Journal of Andrology 2024年第1期26卷 77-84页

作者： cheng-Lin Han Yu-Xuan Deng Peng hu Bin-Tao hu Tao Wang Ji-Hong Liu Ming-chao Li Department of Urology Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430000China

Chronic prostatitis/chronic pelvic pain syndrome(CP/CPPS),also known as National Institutes of Health(NIH)type Ⅲ prostatitis,is a common disorder with an unclear etiology and no known curative *** on the presence or absence of leukocytes in expressed prostatic secretion(EPS),CP/CPPS is classifiedfurther into Illa(inflammatory)and Illb(noninflammatory)***,the severity of symptoms is not entirely consistent with the white blood cell(WBC)*** the preliminary finding of a link between inflammatory cytokines and CP/CPPS,we performed this clinical study with the aim of identifying cytokines that are differentially expressed according to whether the prostatitis subtype is Ⅲa or Ⅲ*** found that granulocyte colony-stimulating factor(G-CSF),interleukin-18(IL-18),and monocyte chemoattractant protein-1(MCP-1)levels were significantly elevated and interferon-inducible protein-10(IP-10)and platelet-derived growth factor-BB(PDGF-BB)levels were downregulated in the EPS of patients with type Ⅲa *** a word,it is a meaningful study in which we investigate the levels of various cytokines in EPS according to whether prostatitis is the Ⅲa or Ⅲb *** combination of G-CSF,IL-18,MCP-1,IP-10,and PDGF-BB expression levels could form a basis for classification,diagnosis,and therapeutic targets in clinical P/CPPS.

关键词： chronic prostatitis/chronic pelvic pain syndrome(CP/CPPS) cytokines NIH-Ⅲa NIH-ⅢB

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Magnetic properties of L1_0 FePt thin film influenced by recoverable strains stemmed from the polarization of Pb(Mg_(1/3)Nb_(2/3))O_3–PbTiO_3 substrate

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Chinese Physics B 2018年第7期27卷 515-520页

作者： Li-Wang Liu cheng-chao hu Ye-Chuan Xu Hou-Bing huang Jiang-Wei Cao Linyun Liang Wei-Feng Rao Department of Materials Physics and IEMMNanjing University of Information Science and TechnologyNanfing 210044China College of Materials Science and Engineering Liaocheng UniversityLiaocheng 252059China Department of Physics University of Science and Technology BeijingBeijing 100083China Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education Lanzhou UniversityLanzhou 730000China Mathematics and Computer Science Division Argonne National LaboratoryArgonneIllinois 60439USA

The magnetic properties and magnetization reversible processes of Llo FePt （3 nm）/Pb（Mg1/3Nb2/3）O3-PbTiO3 （PMN-PT） heterostructure were investigated by using the phase field model. The simulation results show that the magnetic coercivities and magnetic domains evolution in the Llo FePt thin film are significantly influenced by the compressive strains stemming from the polarization of single crystal PMN-PT substrate under an applied electric field. It is found that the magnetic coercivities increase with increasing of the compressive strain. A large compressive strain is beneficial to aligning the magnetic moments along the out-of-plane direction and to the enhancement of perpendicular magnetic anisotropy. The variations of magnetic energy densities show that when compressive strains are different at the magnetization reversible processes, the magnetic anisotropy energies and the magnetic exchange energies firstly increase and then decrease, the negative demagnetization energy peaks appear at coercivities fields, and the magnetoelastic energies are invariable at large external magnetic field with the energy maximum appearing at coercivities fields. The variations of the magnetoelastic energies bring about the perpendicular magnetic anisotropy so that the magnetoelastic energy is lower at the large external magnetic fields, whereas the appearance of magnetoelastic energy peaks is due to the magnetization-altered direction from the normal direction of the plane of the Llo FePt thin film at coercivities fields.

关键词： FePt strain magnetoelastic energy phase field

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Computer simulation of super-magnetoelastic behavior near critical region of magnetic materials based on phase-field method

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稀有金属:英文版 2023年第8期42卷 2477-2488页

作者： Zhao Zhang cheng-chao hu An-Hang Zhou Yu-Xin Xu Yuan-Yuan Wu Hai-hua huang Hou-Bing huang Jun-Jie Ni Wei Li Wei-Feng Rao School of Materials Science and Engineering Liaocheng UniversityLiaocheng 252059China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China School of Mechanical Engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan 250353China Shandong Institute of Mechanical Design and Research Jinan 250031China

Since the discovery of ferromagnetic morphotropic phase boundary(MPB)in 2010,the connotation and extension of MPB have been becoming more and more *** the last dozen years,much experimental work has been done to design magnetostrictive materials based on the MPB ***,due to the difficulty in direct experimental observations and the complexity of theoretical treatments,the insight into the microstructure property relationships and underlying mechanisms near the ferromagnetic MPB has not been fully ***,we have reviewed our recent computer simulation work about the super-magnetoelastic behavior near the critical region of several typical ***-field modeling and simulation are employed to explore the domain configuration and engineering in single crystals as well as the grain size effect in ***,a general nano-embryonic mechanism for superelasticity is also ***,some future perspectives and challenges are presented to stimulate a deeper consideration of the research paradigm between multiscale modeling and material development.

关键词： Super-magnetoelastic behavior Phase-field simulation Morphotropic phase boundary(MPB)

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Enhancing adhesive bond strength of CFRP/titanium joints through NaOH anodising and resin pre-coating treatments with optimised anodising conditions

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Chinese Journal of Aeronautics 2024年第2期37卷 511-523页

作者： Yunsen hu Jingheng ZHANG Lin WANG Fei cheng Xiaozhi hu School of Materials and Chemistry Southwest University of Science and TechnologyMianyang 621000China School of Mechanical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China Engineering Research Center of Biomass Materials Ministry of EducationSouthwest University of Science and TechnologyMianyang 621010China Department of Mechanical Engineering University of Western AustraliaPerthWA 6009Australia

Adhesively Bonded Carbon Fibre Reinforced Plastic(CFRP)and titanium alloy have been extensively used as a hybrid structure in modern aircrafts due to their excellent combination of mechanical properties and chemical *** study utilised NaOH anodising method to create micro-rough titanium surfaces for enhancing adhesive bonding between titanium alloy and CFRP laminates.A special and simple technique named Resin Pre-Coating(RPC)was also employed to improve the surface wetting of anodised titanium and grinded CFRP *** influences of anodising temperature and duration on the surface morphology,wettability and adhesive bond strength were *** single lap shear test results showed that the bond strength of specimens anodised at 20℃for 15 min improved by 135.9%and 95.4%,respectively,in comparison with that of acid pickled and grinded specimens(without RPC treatment).Although increasing the anodising temperature and duration produced rougher titanium surfaces,the adhesively bonded joints were not strong enough due to relatively friable titanium oxide layers.

关键词： Carbon Fibre Reinforced Polymer(CFRP) Titanium alloy Anodising Resin pre-coating Adhesive joints

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Fluorinated semi-interpenetrating polymer networks for enhancing the mechanical performance and storage stability of polymer-bonded explosives by controlling curing and phase separation rates

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Defence Technology（防务技术） 2024年第8期38卷 58-66页

作者： chao Deng huihui Liu Yongping Bai Zhen hu School of Chemistry and Chemical Engineering Harbin Institute of TechnologyHarbin 150000China Wuxi HIT New Material Research Institute Co. Ltd.Wuxi 214000China Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621900China

Herein, the effect of fluoropolymer binders on the properties of polymer-bonded explosives(PBXs) was comprehensively investigated. To this end, fluorinated semi-interpenetrating polymer networks(semiIPNs) were prepared using different catalyst amounts(denoted as F23-CLF-30-D). The involved curing and phase separation processes were monitored using Fourier-transform infrared spectroscopy, differential scanning calorimetry, a haze meter and a rheometer. Curing rate constant and activation energy were calculated using a theoretical model and numerical method, respectively. Results revealed that owing to its co-continuous micro-phase separation structure, the F23-CLF-30-D3 semi-IPN exhibited considerably higher tensile strength and elongation at break than pure fluororubber F2314 and the F23-CLF-30-D0 semi-IPN because the phase separation and curing rates matched in the initial stage of *** arc Brazilian test revealed that F23-CLF-30-D-based composites used as mock materials for PBXs exhibited excellent mechanical performance and storage stability. Thus, the matched curing and phase separation rates play a crucial role during the fabrication of high-performance semi-IPNs;these factors can be feasibly controlled using an appropriate catalyst amount.

关键词： Semi-interpenetrating polymer networks Fluoropolymer Curing rate Phase separation rate Polymer-bonded explosives

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Crust and Upper Mantle Density Structures beneath the Eastern Tianshan Region and Its Tectonic Implications

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Journal of Earth Science 2024年第3期35卷 828-838页

作者： Yiming Liu chao Chen Qing Liang Zhengwang hu hubei Subsurface Multi-Scale Imaging Key Laboratory School of Geophysics and GeomaticsChina University of GeosciencesWuhan 430074China

The deformation mechanisms of the Tianshan orogenic belt(TOB)are one of the most important unresolved issues in the collision of the Indian and Eurasian *** better understand the lithospheric deformation of the eastern Tianshan orogenic belt,we combined the S-wave tomography and gravity data to develop a three-dimensional(3D)density model of the crust and upper mantle beneath the eastern Tianshan *** show that the crust of the eastern Tianshan is mainly characterized by positive density anomalies,revealing widespread subduction-related magmatism during the *** however have also observed extensive low-density anomalies beneath the eastern Tianshan at depths deeper than~100 km,which is likely linked to a relatively hot *** most fundamental differences of the lithosphere within the eastern Tianshan occur in the uppermost *** uppermost mantle layers in the Bogda Shan and Harlik Shan are relatively *** is likely associated with an eclogite body in the uppermost *** most significant negative anomaly of the uppermost mantle is however found in the Jueluotage tectonic belt and the central Tianshan Block and is possibly associated with depleted mantle *** suggest that these differences related to compositional changes may control the strength of the lithospheric mantle and have affected the uplift of the northern and southern segments of the eastern Tianshan after the Permian.

关键词： constrained inversion gravity anomaly three-dimensional lithospheric density structure eastern Tianshan geodynamics geophysics.

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Capillary Property of Entangled Porous Metallic Wire materials and Its Application in Fluid Buffers:Theoretical Analysis and Experimental Study

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Defence Technology（防务技术） 2024年第1期31卷 400-416页

作者： Yu Tang Yiwan Wu hu cheng Rong Liu Engineering Research Center for Metal Rubber School of Mechanical Engineering and AutomationFuzhou UniversityFuzhou 350156China AECC Guizhou Liyang Aviation Power Co. LTDGuiyang 550014China College of Computer and Information Sciences Fujian Agriculture and Forestry UniversityFuzhou 350156China

Strong impact does serious harm to the military industries so it is necessary to choose reasonable cushioning material and design effective buffers to prevent the impact of *** on the capillary property entangled porous metallic wire materials(EPMWM),this paper designed a composite buffer which uses EPMWM and viscous fluid as cushioning materials under the low-speed impact of the recoil force device of weapon equipment(such as artillery,mortar,etc.).Combined with the capillary model,porosity,hydraulic diameter,maximum pore diameter and pore distribution were used to characterize the pore structure characteristics of *** calculation model of the damping force of the composite buffer was *** low-speed impact test of the composite buffer was *** parameters of the buffer under low-speed impact were identified according to the model,and the nonlinear model of damping force was *** test results show that the composite buffer with EPMWM and viscous fluid can absorb the impact energy from the recoil movement effectively,and provide a new method for the buffer design of weapon equipment(such as artillery,mortar,etc.).

关键词： Entangled porous metallic wire materials Capillary property Viscousfluid Low-speed impact Damping force

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