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Prediction of chemical short-range order in high-/medium-entropy alloys

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Journal of Materials Science & Technology 2024年第2期169卷 115-123页

作者： Pei-Yu Cao Jing Wang ping Jiang Yun-Jiang Wang Fu-ping yuan Xiao-Lei Wu State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of ScienceBeijing 100190China School of Engineering Science University of Chinese Academy of SciencesBeijing 100049China

Chemical short-range orders(CSROs),as the built-in sub-nanoscale entities in a high-/medium-entropy alloy(H/MEA),have aroused an ever-increasing interest.With multi-principal elements in an H/MEA to form a complex concentrated solution,a variety of sub-systems of species exist to induce the metastable ordered compounds as candidates for ultimate CSROs.The issues remain pending on the origin of CSROs as to how to judge if CSRO will form in an H/MEA and particularly,what kind of CSROs would be stably produced if there were multiple possibilities.Here,the first-principles method,along with the proposed local formation energy calculation in allusion to the atomic-scale chemical heterogeneities,is used to predict the CSRO formation based on the mechanical stability,thermodynamic formation energy,and electronic characteristics.The simulations are detailed in an equiatomic ternary VCoNi MEA with three kinds of potential compounds,i.e.,L1_(1),L1_(2),and B2,in the face-centered cubic matrix.It turns out that L1_(1)is stable but hard to grow up so as to become the final CSRO.L1_(1)is further predicted as CSROs in CrCoNi,but unable to form in FeCoNi and CrMnFeCoNi alloys.These predictions are consistent with the experimental observations.Our findings shed light on understanding the formation of CSROs.This method is applicable to other H/MEAs to design and tailor CSROs by tuning chemical species/contents and thermal processing for high performance.

关键词： Short-range order High-entropy alloy Microstructure First-principles calculation Gibbs free energy Local electronic density of states

Constructing highly safe and long-life calcium ion batteries based on hydratedvanadium oxide cathodes featuring a pillar structure

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Rare Metals 2024年第6期43卷 2597-2612页

作者： Chun-Fang Wang Shi-Wei Zhang Lan Huang yuan-Min Zhu feng Liu Jian-Chuan Wang Li-Ming Tan Chun-Yi Zhi Cui-ping Han Powder Metallurgy Research Institute Central South University Songshan Lake Materials Laboratory Research Institute of Interdisciplinary Science and School of Materials Science and Engineering Dongguan University of Technology Department of Materials Science and Engineering City University of Hong Kong Faculty of Materials Science and Energy Engineering/Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences

Calcium-ion batteries（CIBs） have generated intense interest due to the growing demand for safer,cheaper,and large-scale energy storage systems.However,their development is still in its infancy,owing to the lack of suitable cathodes for sustaining reversiblc Ca2+intercalation/deintercalation.Herein,layered H2V3O8（HVO） with Zn2+pre-insertion（ZHVO） is reported as a high-rate and highly durable cathode material for CIBs.The existence of Zn2+and H2O pillars could expand the interlayer spacing up to 1.8 nm,which is favorable for the diffusion of bulky Ca2+.The formation of Zn-O bonds facilitates electron transfer and enhances electrical conduction.Consequently,the ZHVO cathode achieves superior capacity performance(213.9 mAh·g-1at 0.2 A·g-1) and long lifespan(78.3% for 1,000 cycles at 5 A·g-1) compared to pristine HVO.Density functional theory（DFT） calculations revealed that Zn2+moved during Ca2+intercalation,thereby reducing the diffusion energy barrier and facilitating Ca2+diffusion.Finally,a safe aqueous calcium ion cell was successfully assembled.

关键词： Multivalent batteries Calcium-ion batteries Layered structure Vanadium oxide Cathode materials

Zircon Hf Isotope Mapping for Understanding Crustal Architecture and Its Controls on Mineralization during Early Cretaceous in the Southern Great Xing'an Range,NE China

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Journal of Earth Science 2024年第1期35卷 41-50页

作者： feng yuan Huanan Liu Shengjin Zhao Mingjing Fan State Key Laboratory of Geological Processes and Mineral Resources Collaborative Innovation Center for Exploration of Strategic Mineral ResourcesSchool of Earth ResourcesChina University of GeosciencesWuhan 430074China State Key Laboratory of Geological Processes and Mineral Resources School of Earth Sciences and ResourcesChina University of GeosciencesBeijing100083China No.10 Institute of Geological Exploration Inner Mongolia Bureau of Geology and Mineral ResourcesChifeng 024000China Key Laboratory of Metallogeny and Mineral Assessment Institute of Mineral ResourcesChinese Academy of Geological SciencesBeijing 100037China

Voluminous Early Cretaceous granitoids and associated large-scale ore deposits are distributed within the southern Great Xing'an Range(SGXR),NE China.Based on previously published geochronology and zircon Hf-isotope data,Hf isotope mapping is undertaken to improve our understanding of crustal architecture and its controls on ore deposits.The ore-related Early Cretaceous granitoids were sourced predominantly from juvenile crust,with the involvement of variable proportions of ancient crustal materials.The crustal architecture,as inferred from Hf isotopic contour maps,indicates two distinct Hf isotopic domains in SGXR,including(1)a higher-ε_(Hf)(+7 to+11)juvenile crust containing minor ancient crustal material,and(2)a lower-ε_(Hf)(+2 to+6)juvenile crust containing a greater proportion of ancient crustal materials.The Hf isotopic maps identify links between crustal architecture and regional metallogeny.Copper deposits and other deposits with significant Cu production are restricted mainly to the higher-ε_(Hf)juvenile crustal regions in the northern and eastern SGXR.Deposits dominated by other metals(e.g.,Mo,Sn,W,Pb,Zn,and Ag)occur mainly in the lower-ε_(Hf)juvenile crustal regions in the southern and western SGXR.Interaction between juvenile crust-derived melts and ancient crustal components played an important role on the distribution of various ore metals.

关键词： Hf isotope mapping crustal architecture large-scale Early Cretaceous granitoids distribution of ore deposits southern Great Xing'an Range zircon

Regulated polarization degree of upconversion luminescence and multiple anti-counterfeit applications

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Rare Metals 2024年第5期43卷 2172-2183页

作者： Dong-ping Wen ping Chen Yi Liang Xiao-Ming Mo Cao-feng Pan Center On Nanoenergy Research Guangxi Key Laboratory for Relativistic Astrophysics School of Physical Science and Technology Guangxi University Key Laboratory of Micronano Energy and Sensor CAS Center for Excellence in Nanoscience Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of Sciences

Polarization upconversion luminescence（PUCL） of lanthanide ions (Ln3+) has been widely used in single particle tracking,microfluidics detection,three-dimensional displays,and so on.However,no effective strategy has been developed for modulating PUCL.Here we report a strategy to regulate PUCL in Ho3+-doped NaYF4single nanorods based on the number of upconversion photons.By constructing a multiphoton upconversion system for Ho3+,we regulate the degree of polarization （DOP） of PUCL from 0.590 for two-photon luminescence to 0.929 for three-photon upconversion luminescence （UCL）.Furthermore,our strategy is verified from cross-relaxation between Ho3+and Yb3+,excitation wavelength,excitation power density,and local site symmetry.And this regulation strategy of PUCL has also been achieved in Tm3+,with the DOP ranging from 0.233 for two-photon luminescence to 0.925 for four-photon UCL Besides,multi-dimensional anti-counterfeiting display has been explored with PUCL.This work provides an effective strategy for regulating PUCL and also provides more opportunities for the development of polarization display optical encoding,anti-counterfeiting,and integrated optical devices.

关键词： Polarization upconversion luminescence Degree of polarization Population density of excited state Number of upconversion photons Polarization anti-counterfeiting display

Ferritinophagy: A new idea for liver diseases regulated by ferroptosis

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Hepatobiliary & Pancreatic Diseases International 2024年第2期23卷 160-170页

作者： Zi-Bing Qian Jun-feng Li Wan-yuan Xiong Xiao-Rong Mao The First Clinical Medical College of Lanzhou University Lanzhou 730000China Institute of Infectious Diseases The First Hospital of Lanzhou UniversityLanzhou 730000China Department of Infectious Disease The First Hospital of Lanzhou UniversityLanzhou 730000China

Background:The discovery of regulatory cell death has led to a breakthrough in the therapeutic field.Various forms of cell death,such as necrosis,apoptosis,pyroptosis,autophagy,and ferroptosis,play an important role in the development of liver diseases.In general,more than one form of cell death pathways is responsible for the disease state.Therefore,it is particularly important to study the regulation and interaction of various cell death forms in liver diseases.Data sources:We performed a PubMed search up to November 2022 with the following keywords:ferritinophagy,ferroptosis,and liver disease.We also used terms such as signal path,inducer,and inhibitor to supplement the query results.Results:This review summarized the basic characteristics of ferritinophagy and ferroptosis and the regulation of ferroptosis by ferritinophagy and reviewed the key targets and treatment strategies of ferroptosis in different liver diseases.Conclusions:Ferritinophagy is a potential therapeutic target in ferroptosis-related liver diseases.

关键词： Ferritinophagy Ferroptosis Liver disease

Clinical nursing value of predictive nursing in reducing complications of pregnant women undergoing short-term massive blood transfusion during cesarean section

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World Journal of Clinical Cases 2024年第1期12卷 51-58页

作者： Li Cheng Li-ping Li yuan-yuan Zhang Fang Deng Ting-Ting Lan Department of Obstertrics Wuhan Third HospitalWuhan 430000Hubei ProvinceChina Department of Gynaecology Wuhan No.1 HospitalWuHan 430030Hubei ProvinceChina Center for Reproductive Medicine Department of Obstetrics and GynecologySichuan Provincial People's HospitalSchool of MedicineUniversity of Electronic Science and Technology of ChinaChengdu 610072Sichuan ProvinceChina

BACKGROUND Cesarean hemorrhage is one of the serious complications,and short-term massive blood transfusion can easily cause postoperative infection and physical stress response.However,predictive nursing intervention has important clinical significance for it.AIM To explore the effect of predictive nursing intervention on the stress response and complications of women undergoing short-term mass blood transfusion during cesarean section(CS).METHODS A clinical medical record of 100 pregnant women undergoing rapid mass blood transfusion during sections from June 2019 to June 2021.According to the different nursing methods,patients divided into control group(n=50)and observation group(n=50).Among them,the control group implemented routine nursing,and the observation group implemented predictive nursing intervention based on the control group.Moreover,compared the differences in stress res-ponse,complications,and pain scores before and after the nursing of pregnant women undergoing rapid mass blood transfusion during CS.RESULTS The anxiety and depression scores of pregnant women in the two groups were significantly improved after nursing,and the psychological stress response of the observation group was significantly lower than that of the control group(P<0.05).The heart rate and mean arterial pressure(MAP)of the observation group during delivery were lower than those of the control group,and the MAP at the end of delivery was lower than that of the control group(P<0.05).Moreover,different pain scores improved significantly in both groups,with the observation group considerably less than the control group(P<0.05).After nursing,complications such as skin rash,urinary retention,chills,diarrhea,and anaphylactic shock in the observation group were 18%,which significantly higher than in the control group(4%)(P<0.05).CONCLUSION Predictive nursing intervention can effectively relieve the pain,reduce the incidence of complications,improve mood and stress response,and serve as a reference value for the nursing of women underg

关键词： Predictive care Rapid mass blood transfusion Cesarean section Stress response Complications

Multi-objective optimization and evaluation of supercritical CO_(2) Brayton cycle for nuclear power generation

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Nuclear Science and Techniques 2024年第2期35卷 183-209页

作者： Guo-Peng Yu Yong-feng Cheng Na Zhang ping-Jian Ming Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Civil Engineering and Architecture East China Jiaotong UniversityNanchang 330013China

The supercritical CO_(2) Brayton cycle is considered a promising energy conversion system for Generation IV reactors for its simple layout,compact structure,and high cycle efficiency.Mathematical models of four Brayton cycle layouts are developed in this study for different reactors to reduce the cost and increase the thermohydraulic performance of nuclear power generation to promote the commercialization of nuclear energy.Parametric analysis,multi-objective optimizations,and four decision-making methods are applied to obtain each Brayton scheme’s optimal thermohydraulic and economic indexes.Results show that for the same design thermal power scale of reactors,the higher the core’s exit temperature,the better the Brayton cycle’s thermo-economic performance.Among the four-cycle layouts,the recompression cycle(RC)has the best overall performance,followed by the simple recuperation cycle(SR)and the intercooling cycle(IC),and the worst is the reheating cycle(RH).However,RH has the lowest total cost of investment(C_(tot))of$1619.85 million,and IC has the lowest levelized cost of energy(LCOE)of 0.012$/(kWh).The nuclear Brayton cycle system’s overall performance has been improved due to optimization.The performance of the molten salt reactor combined with the intercooling cycle(MSR-IC)scheme has the greatest improvement,with the net output power(W_(net)),thermal efficiencyη_(t),and exergy efficiency(η_(e))improved by 8.58%,8.58%,and 11.21%,respectively.The performance of the lead-cooled fast reactor combined with the simple recuperation cycle scheme was optimized to increase C_(tot) by 27.78%.In comparison,the internal rate of return(IRR)increased by only 7.8%,which is not friendly to investors with limited funds.For the nuclear Brayton cycle,the molten salt reactor combined with the recompression cycle scheme should receive priority,and the gas-cooled fast reactor combined with the reheating cycle scheme should be considered carefully.

关键词： Supercritical CO_(2)Brayton cycle Nuclear power generation Thermo-economic analysis Multi-objective optimization Decision-making methods

Mitochondrial dysfunction: A promising therapeutic target for liver diseases

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Genes & Diseases 2024年第3期11卷 324-337页

作者： ping Chen Lichao Yao Mengqin yuan Zheng Wang Qiuling Zhang Yingan Jiang Lanjuan Li Department of Infectious Diseases Renmin Hospital of Wuhan UniversityWuhanHubei 430060China State Key Laboratory for Diagnosis and Treatment of Infectious Diseases National Clinical Research Center for Infectious DiseasesCollaborative Innovation Center for Diagnosis and Treatment of Infectious DiseasesThe First Affiliated HospitalCollege of MedicineZhejiang UniversityHangzhouZhejiang 310003China

The liver is an important metabolic and detoxification organ and hence demands a large amount of energy,which is mainly produced by the mitochondria.Liver tissues of pa-tients with alcohol-related or non-alcohol-related liver diseases contain ultrastructural mito-chondrial lesions,mitochondrial DNA damage,disturbed mitochondrial dynamics,and compromised ATP production.Overproduction of mitochondrial reactive oxygen species in-duces oxidative damage to mitochondrial proteins and mitochondrial DNA,decreases mito-chondrial membrane potential,triggers hepatocyte inflammation,and promotes programmed cell death,all of which impair liver function.Mitochondrial DNA may be a poten-tial novel non-invasive biomarker of the risk of progression to liver cirrhosis and hepatocellular carcinoma in patients infected with the hepatitis B virus.We herein present a review of the mechanisms of mitochondrial dysfunction in the development of acute liver injury and chronic liver diseases,such as hepatocellular carcinoma,viral hepatitis,drug-induced liver injury,alcoholic liver disease,and non-alcoholic fatty liver disease.This review also discusses mito-chondrion-centric therapies for treating liver diseases.

关键词： Chronic diseases Liverdamage Mesenchymalstem cell Mitochondrial dysfunction Oxidativestress

Mathematical Model,Numerical Simulation and Convergence Analysis of a Semiconductor Device Problem with Heat and Magnetic Influences

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Acta Mathematicae Applicatae Sinica 2024年第2期40卷 302-319页

作者： Chang-feng LI Yi-rang yuan Huai-ling SONG School of Economics Shandong UniversityJinan 250100China Institute of Mathematics Shandong UniversityJinan 250100China College of Mathematics and Econometrics Hunan UniversityChangsha 410082China

In this paper,the authors discuss a three-dimensional problem of the semiconductor device type involved its mathematical description,numerical simulation and theoretical analysis.Two important factors,heat and magnetic influences are involved.The mathematical model is formulated by four nonlinear partial differential equations(PDEs),determining four major physical variables.The influences of magnetic fields are supposed to be weak,and the strength is parallel to the z-axis.The elliptic equation is treated by a block-centered method,and the law of conservation is preserved.The computational accuracy is improved one order.Other equations are convection-dominated,thus are approximated by upwind block-centered differences.Upwind difference can eliminate numerical dispersion and nonphysical oscillation.The diffusion is approximated by the block-centered difference,while the convection term is treated by upwind approximation.Furthermore,the unknowns and adjoint functions are computed at the same time.These characters play important roles in numerical computations of conductor device problems.Using the theories of priori analysis such as energy estimates,the principle of duality and mathematical inductions,an optimal estimates result is obtained.Then a composite numerical method is shown for solving this problem.

关键词： three-dimensional conductor device problem with heat and magnetic influences upwind blockcentered differences elemental conservation of mass numerical analysis