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High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

Journal of Magnesium and Alloys 2024年第4期12卷 1406-1418页

作者： Yaowei Wang Tian Xie Qingli Tang Mingxu Wang Tao Ying hong zhu Xiaoqin Zeng University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong University200240ShanghaiChina State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong UniversityShanghai200240China

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further *** this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic *** stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly ***,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic *** intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic ***,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 *** study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

关键词： Mg intermetallics Corrosion property High-throughput Density functional theory Machine learning

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Detwinning and Anneal-Hardening Behaviors of Pre-Twinned AZ31 Alloys under Cryogenic Loading

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Acta Metallurgica Sinica(English Letters) 2024年第9期37卷 1551-1563页

作者： Lingyu Zhao Wei zhu Chao Zhang Yunchang Xin Changjian yan Yao Cheng Zhaoyang Jin School of Mechanical Engineering Yangzhou UniversityYangzhou225127China Key Laboratory for Light-Weight Materials Nanjing Tech UniversityNanjing210009China Institute of Corrosion Science and Technology Guangzhou510070GuangdongChina Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology Nanjing Institute of TechnologyNanjing211167China

Detwinning behavior of a pre-twinned magnesium alloy AZ31 at cryogenic temperature was investigated,also with a focus on the annealing hardening behavior of samples with different fractions of ***-compression along the transverse direction with strains of 1.7%,3.0%,and 6.0% was applied to generated[1012]*** behavior,microstructure,and texture evolution during subsequent tension were *** results show that low temperature did not change the fact that detwinning still pre-dominated in the pre-twinned samples under reverse ***,a relatively harder migration of twin boundaries was found at cryogenic *** annealing hardening of 27-40 MPa was observed in the pre-twinned samples,and such a hardening effect shows a close relation with the fraction of pre-twins or the level of *** annealing hardening effect disappeared if the matrix was consumed by twins along with the increased pre-compression *** corresponding reasons for the annealing hardening behavior were discussed.

关键词： Mg alloys Detwinning Annealing hardening Cryogenic temperature Mechanical property

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Atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering correction

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Nuclear Science and Techniques 2024年第3期35卷 40-52页

作者： Ding-Han zhu Xiong Zhang Xiao-Qiang Li Peng Li yan-Bin Wang Shuang Zhang State Key Laboratory of NBC Protection for Civilian Beijing 102205China

In high-altitude nuclear detonations,the proportion of pulsed X-ray energy can exceed 70%,making it a specific monitoring signal for such *** pulsed X-rays can be captured using a satellite-borne X-ray detector following atmospheric *** quantitatively analyze the effects of different satellite detection altitudes,burst heights,and transmission angles on the physical processes of X-ray transport and energy fluence,we developed an atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering *** proposed method is an improvement over the traditional analytical method that only computes direct-transmission *** traditional analytical method exhibits a maximum relative error of 67.79% compared with the Monte Carlo *** improved method reduces this error to within 10% under the same conditions,even reaching 1% in certain ***,its computation time is 48,000 times faster than that of the Monte Carlo *** results have important theoretical significance and engineering application value for designing satellite-borne nuclear detonation pulsed X-ray detectors,inverting nuclear detonation source terms,and assessing ionospheric effects.

关键词： High-altitude nuclear detonation Atmospheric transmission Pulsed X-rays Scattering correction Analytical method Monte Carlo method

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Mechanism of local solidification time variations with melt rate during vacuum arc remelting process of 8Cr4Mo4V high-strength steel

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Journal of Iron and Steel Research International 2024年第2期31卷 377-388页

作者： Tao Pan hong-chun zhu Zhou-hua Jiang Hua-bing Li Rui Zhang Hao Feng School of Metallurgy Northeastern UniversityShenyang110819LiaoningChina State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819LiaoningChina

A 2D axisymmetric numerical model was established to investigate the variations of molten pool with different melt rates during the vacuum arc remelting of 8Cr4Mo4V high-strength steel,and the ingot growth was simulated by dynamic mesh *** results show that as the ingot grows,the molten pool profile changes from shallow and flat to V-shaped,and both the molten pool depth and the mushy width ***,the variation of both the molten pool shape and the mushy width melt rate is clarified by the thermal equilibrium *** melt rate increases,both the molten pool depth and the mushy width *** is caused by the increment in sensible heat stored in the ingot due to the limitation of the cooling capacity of the *** nonlinear increment in sensible heat leads to a nonlinear increase in the mushy *** addition,as melt rate increases,the local solidification time(LST)of ingot decreases obviously at first and then *** melt rate is controlled in a suitable range,LST is the lowest and the secondary dendrite arm spacing of the ingot is the smallest,which can effectively improve the compactness degree of 8Cr4Mo4V high-strength steel.

关键词： 8Cr4Mo4V high-strength steel Vacuum arc remelting process Melt rate Molten pool Local solidification time

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Experimental Study on Soot Suppression of Acetylene Diffusion Flame by Acoustic-Excited Oscillation in Rijke-Type Burner

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Journal of Thermal Science 2024年第1期33卷 235-248页

作者： zhu Yibin GUO Hui SUO yan'ge WU Minle YE yanghui LI Guoneng ZHANG Zhiguo School of Mechanical and Energy Engineering Zhejiang University of Science and TechnologyHangzhou 310023China

This work reports that the flame oscillation induced by acoustic excitation can effectively suppress soot generation in Rijke-type *** the acoustic frequency is close to the natural frequency of the burner system,it can produce resonance resulting in intense oscillation of the *** relationship between the soot suppression efficiency and the acoustic field of standing wave at different flame positions is *** with that under self-excited oscillation,when there is external forced acoustic force introduced to the flame,oscillation combustion occurred in a lager zone in the glass *** fundamental cause of different soot suppression efficiency at different positions is that the standing wave acoustic field causes the particles to move at different speeds in different positions of the glass *** axial particle velocity difference results in the formation of acoustic vortexes and the change of the flame *** high particle velocity causes the air in the glass tube to turn into the turbulent condition and make the flame temperature *** results show that the surface growth rate of soot is reduced,while the oxidation rate of soot is enhanced,which result in the soot suppression under acoustic *** study can provide some reference for the practical application of oscillate combustion in soot suppression.

关键词： soot suppression acetylene diffusion flame acoustic-excited oscillation standing wave

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Effect of Phase Separation Size on the Properties of Self-healing Elastomer

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Chinese Journal of Polymer Science 2024年第6期42卷 798-804页

作者： Jun Xu Lei zhu Xian-Qi Feng Cong Sui Wen-Peng Zhao Shou-Ke yan School of Chemical Engineering Qingdao University of Science&TechnologyQingdao266042China College of Engineering Yanching institute of TechnologyLangfang065210China Key Laboratory of Rubber-plastics Qingdao University of Science&TechnologyQingdao266042China State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing100029China

Regulation of phase structure has been recognized as one of the most effective ways to fabricate self-healing polymers with high mechanical *** mechanical properties of the resultant polymers are certainly affected by the size of separated phase ***,the study on this aspect is absence,because it can hardly exclude the influence of variation in monomer proportion required for tuning the separated phase ***,we report the first study on tuning the phase size through reversible addition-fragmentation chain transfer(RAFT)polymerization without changing the proportion of *** expected,the size of separated phase has been successfully mediated from 15 nm to 9 nm by tuning the molecular weight of the chain transfer *** is found that the mechanical strength and the self-healing efficiency of the resultant polymers increase simultaneously with the decrease of phase *** study on the formation kinetics of hydrogen bonds reveals that the decrease of phase size can facilitate the re-bonding rate of hydrogen bonds,even if the migration of polymer chains is restricted.

关键词： Self-healing polymers Phase separation Reversible addition-fragmentation chain transfer

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Experimental investigation for temperature and emissivity by flame emission spectrum in a cavity of rocket based combined cycle combustor chamber

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DEFENCE TECHNOLOGY 2024年第9期39卷 114-122页

作者： Cai, Weiguang Zheng, Shu Wang, yan Liu, Bing zhu, Shaohua Zhao, Li Lu, Qiang North China Elect Power Univ Natl Engn Res Ctr New Energy Power Generat Beijing 102206 Peoples R China Northwestern Polytech Univ Internal Flow & Thermal Struct Lab Sci & Technol Combust Xian 710072 Peoples R China

Flame temperature and spectral emissivity were the important parameters characterizing the sufficient degree of fuel combustion and the particle radiative characteristics in the Rocket Based Combined Cycle (RBCC) combustor. To investigate the combustion characteristics of the complex supersonic flame in the RBCC combustor, a new radiation thermometry combined with Levenberg-Marquardt (LM) algorithm and the least squares method was proposed to measure the temperature, emissivity and spectral radiative properties based on the flame emission spectrum. In-situ measurements of the flame temperature, emissivity and spectral radiative properties were carried out in the RBCC direct-connected test bench with laser-induced plasma combustion enhancement (LIPCE) and without LIPCE. The flame average temperatures at fuel global equivalence ratio (a) of 1.0b and 0.6 with LIPCE were 4.51% and 2.08% higher than those without LIPCE. The flame combustion oscillation of kerosene tended to be stable in the recirculation zone of cavity with the thermal and chemical effects of laser induced plasma. The differences of flame temperature at a = 1.0b and 0.6 were 503 K and 523 K with LIPCE, which were 20.07% and 42.64% lower than those without LIPCE. The flame emissivity with methane assisted ignition was 80.46% lower than that without methane assisted ignition, due to the carbon-hydrogen ratio of kerosene was higher than that of methane. The spectral emissivities at 600 nm with LIPCE were 1.25%, 22.2%, and 4.22% lower than those without LIPCE at a = 1.0a (with methane assisted ignition), 1.0b (without methane assisted ignition) and 0.6. The effect of concentration in the emissivity was removed by normalization to analyze the flame radiative properties in the RBCC combustor chamber. The maximum differences of flame normalized emissivity were 50.91% without LIPCE and 27.53% with LIPCE. The flame radiative properties were stabilized under the thermal and chemical effects of laser induced plasma

关键词： Rocket-based combined-cycle Supersonic combustion Flame temperature measurement Emissivity Laser induced plasma combustion enhancement STOKES-RAMAN SPECTROSCOPY

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The Application of Solid Waste in Thermal Insulation Materials: A Review

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Journal of Renewable Materials 2024年第2期12卷 329-347页

作者： Ming Liu Pinghua zhu Xiancui yan Haichao Li Xintong Chen School of Environmental Science and Engineering Changzhou UniversityChangzhou213164China School of Urban Construction Changzhou UniversityChangzhou213164China

As socioeconomic development continues,the issue of building energy consumption has attracted significant attention,and improving the thermal insulation performance of buildings has become a crucial strategic ***,the application of solid waste in insulation materials has also become a hot *** paper reviews the sources and classifications of solid waste,focusing on research progress in its application as insulation materials in the domains of daily life,agriculture,and *** research shows that incorporating household solid waste materials,such as waste glass,paper,and clothing scraps into cementitious thermal insulation can significantly reduce the thermal conductivity of the materials,leading to excellent thermal insulation *** materials prepared from agricultural solid waste,such as barley straw,corn stalk,chicken feather,and date palm fibers,possess characteristics of lightweight and strong thermal *** solid waste,including waste tires,iron tailings,and coal bottom ash,can also be utilized in the preparation of insulation *** innovative applications not only have positive environmental significance by reducing waste emissions and resource consumption,but also provide efficient and sustainable insulation solutions for the construction ***,to further optimize the mix design and enhance the durability of insulation materials,continuous research is required to investigate the mechanisms through which solid waste impacts the performance of insulation materials.

关键词： Solid waste building energy consumption insulation material sustainability

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Design of artificial biomimetic channels with Na^(+)permeation rate and selectivity potentially outperforming the natural sodium channel

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Nano Research 2024年第9期17卷 8638-8646页

作者： Zhi zhu yan Zhao Chao Chang Shaojian yan Tingyu Sun Shiyu Gu yangmei Li Dengsong Zhang Chunlei Wang Xiao Cheng Zeng School of Optical-Electrical and Computer Engineering University of Shanghai for Science and TechnologyShanghai 200093China Innovation Laboratory of Terahertz Biophysics National Innovation Institute of Defense TechnologyBeijing 100071China School of Physics Peking UniversityBeijing 100871China International Joint Laboratory of Catalytic Chemistry College of SciencesShanghai UniversityShanghai 200444China Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China

Artificial ion channels that enable high-efficiency ion transport have important implications in nanofluidics and biomedical applications such as drug ***,we show a simulation-based chemical design of a biomimetic sodium channel that possesses permeation rate and selectivity potentially higher than those of the state-of-the-art natural vertebrate voltage-gated sodium ***,our theoretical findings have undergone empirical testing,aligning well with the Arrhenius law as derived from a diverse range of experimental *** high-efficiency ion transport is achieved by anchoring the carboxylate functional groups within the channel filter.A key chemical guiding principle underlying the ion channel design is that the free-energy barrier for the Na^(+)passage across the channel should be comparable to typical thermal energy at room *** the implementation of the chemical design,we found that the relatively low free-energy barrier can be attributed to the compensation effect of the carboxylate groups to the partially lost oxygen shell of the ion within the ion channel,as well as to the consonant vibration of the ions inside and outside the *** mechanistic understanding brings new insight,at the molecular level,into the high-efficiency ion transport across the designed membrane *** proof of principle achieved from the simulations will stimulate future experimental confirmation and potential applications of the high-performance artificial channels in nanofluidics and in bioinspired iontronics.

关键词： sodium channels anchoring carboxylate functional groups molecular dynamics simulations low free-energy barrier for ion passage thermal kinetic energy

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Simultaneously targeting extracellular vesicle trafficking and TGF-β receptor kinase activity blocks signaling hyperactivation and metastasis

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Signal Transduction and Targeted Therapy 2024年第1期9卷 308-325页

作者： Adilson Fonseca Teixeira yanhong Wang Josephine Iaria Peter ten Dijke hong-Jian zhu Department of Surgery(The Royal Melbourne Hospital) The University of MelbourneParkvilleVICAustralia Huagene Institute Kecheng Science and Technology ParkPukou DistrictNanjingJiangsuChina Department of Cell and Chemical Biology Oncode InstituteLeiden University Medical CenterLeidenThe Netherlands

Metastasis is the leading cause of cancer-related *** growth factor beta(TGF-β)signaling drives metastasis and is strongly enhanced during cancer ***,the use of on-target TGF-βsignaling inhibitors in the treatment of cancer patients remains unsuccessful,highlighting a gap in the understanding of TGF-βbiology that limits the establishment of efficient anti-metastatic ***,we show that TGF-βsignaling hyperactivation in breast cancer cells is required for metastasis and relies on increased small extracellular vesicle(sEV)*** sEV’s unique role,TGF-βsignaling levels induced by sEVs exceed the activity of matching concentrations of soluble ligand TGF-β.Further,genetic disruption of sEV secretion in highlymetastatic breast cancer cells impairs cancer cell aggressiveness by reducing TGF-βsignaling to nearly-normal ***,TGF-βsignaling activity in non-invasive breast cancer cells is inherently low,but can be amplified by sEVs,enabling invasion and metastasis of poorly-metastatic breast cancer *** the translational potential of inhibiting sEV trafficking in advanced breast cancers,treatment with dimethyl amiloride(DMA)decreases sEV secretion,TGF-βsignaling activity,and breast cancer progression in *** both the sEV trafficking and TGF-βsignaling by combining DMA and SB431542 at suboptimal doses potentiated this effect,normalizing the TGF-βsignaling in primary tumors to potently reduce circulating tumor cells,metastasis,and tumor ***,this study establishes sEVs as critical elements in TGF-βbiology,demonstrating the feasibility of inhibiting sEV trafficking as a new therapeutic approach to impair metastasis by normalizing TGF-βsignaling levels in breast cancer cells.

关键词： metastasis doses invasion

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