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Extremal problems on the Hua domain of the first type 被引量:6
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作者 SU Jianbing & YIN Weiping Mathematics Department, Xuzhou Normal University, Xuzhou 221116, China Mathematics Department, Capital Normal University, Beijing 100037, China 《Science China Mathematics》 SCIE 2005年第z1期343-354,共12页
In this paper we study some extremal problems between the Hua domain of the first type and the unit ball.
关键词 EXTREMAL problem HUA domain of the first type MINIMAL circumscribed HERMITIAN ellipsoid.
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Uniaxial stress influence on lattice,band gap and optical properties of n-type ZnO:first-principles calculations 被引量:2
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作者 Yang Ping Li Pei +4 位作者 Zhang Li-Qiang Wang Xiao-Liang Wang Huan Song Xi-Fu Xie Fang-Wei 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第1期399-403,共5页
The lattice, the band gap and the optical properties of n-type ZnO under uniaxial stress are investigated by first- principles calculations. The results show that the lattice constants change linearly with stress. Ban... The lattice, the band gap and the optical properties of n-type ZnO under uniaxial stress are investigated by first- principles calculations. The results show that the lattice constants change linearly with stress. Band gaps are broadened linearly as the uniaxial compressive stress increases. The change of band gap for n-type ZnO comes mainly from the contribution of stress in the c-axis direction, and the reason for band gap of n-type ZnO changing with stress is also explained. The calculated results of optical properties reveal that the imaginary part of the dielectric function decreases with the increase of uniaxial compressive stress at low energy. However, when the energy is higher than 4.0 eV, the imaginary part of the dielectric function increases with the increase of stress and a blueshift appears. There are two peaks in the absorption spectrum in an energy range of 4.0-13.0 eV. The stress coefficient of the band gap of n-type ZnO is larger than that of pure ZnO, which supplies the theoretical reference value for the modulation of the band gap of doped ZnO. 展开更多
关键词 uniaxial stress first-PRINCIPLES optical properties n-type ZnO
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Study on the Relationship of the Characteristics of Vascular Bundles in the First Internode and Grain-filling of Heavy Panicle Type Hybrid Rice 被引量:1
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作者 MA Jun, ZHOU Kai-da, MA Wen-bo, WANG Xue-dong, MING Dong-feng and YAN Zi-bing(Rice Research Institute of Sichuan Agricultural University, Wenjiang 611130, P. R . China) 《Agricultural Sciences in China》 CAS CSCD 2002年第6期631-635,共5页
The characteristics of vascular bundle in the first internode from top and grain-filling of heavy panicle type hybrid rice(HPTHR) were studied. The results were as follows: The HPTHR had more vascular bundles and a mu... The characteristics of vascular bundle in the first internode from top and grain-filling of heavy panicle type hybrid rice(HPTHR) were studied. The results were as follows: The HPTHR had more vascular bundles and a much bigger area of single vascular bundle, all vascular bundle, all phloem and all xylem in the first inter-node than Shanyou63. The vascular bundles had the similar load of spikelet number and sink capacity between the HPTHR and Shanyou63. The HPTHR had not only a larger sink but also normal grain-filling and sink-filling, high seed-setting rate and heavier panicle. Those characteristics of vascular bundle were the biological bases for the larger and heavier panicle of HPTHR. The results also indicated that the breeding model of HPTHR was an effective measure for the super high-yielding rice breeding. 展开更多
关键词 Heavy panicle type hybrid rice first internode Vascular bundle GRAIN-FILLING
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EMDEN-FOWLER TYPE SYSTEM:NOETHER SYMMETRIES AND FIRST INTEGRALS
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作者 B.Muatjetjeja C.M.Khalique 《Acta Mathematica Scientia》 SCIE CSCD 2012年第5期1959-1966,共8页
We classify a generalized coupled singular Emden-Fowler type system +a(t)vn=0,v+b(t)um=0 with respect to the standard first-order Lagrangian according to the Noether point symmetries which it admits.First integr... We classify a generalized coupled singular Emden-Fowler type system +a(t)vn=0,v+b(t)um=0 with respect to the standard first-order Lagrangian according to the Noether point symmetries which it admits.First integrals of the various cases which admit Noether point symmetries are then obtained.This system was discussed in the literature from the view-point of existence and uniqueness of positive solutions. 展开更多
关键词 LAGRANGIAN Noether symmetry first integrals Emden-Fowler type system Gauge function
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Bayesian Inference and Prediction of Burr Type XII Distribution for Progressive First Failure Censored Sampling 被引量:1
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作者 Ahmed A. Soliman A. H. Abd Ellah +1 位作者 N. A. Abou-Elheggag A. A. Modhesh 《Intelligent Information Management》 2011年第5期175-185,共11页
This paper deals with Bayesian inference and prediction problems of the Burr type XII distribution based on progressive first failure censored data. We consider the Bayesian inference under a squared error loss functi... This paper deals with Bayesian inference and prediction problems of the Burr type XII distribution based on progressive first failure censored data. We consider the Bayesian inference under a squared error loss function. We propose to apply Gibbs sampling procedure to draw Markov Chain Monte Carlo (MCMC) samples, and they have in turn, been used to compute the Bayes estimates with the help of importance sampling technique. We have performed a simulation study in order to compare the proposed Bayes estimators with the maximum likelihood estimators. We further consider two sample Bayes prediction to predicting future order statistics and upper record values from Burr type XII distribution based on progressive first failure censored data. The predictive densities are obtained and used to determine prediction intervals for unobserved order statistics and upper record values. A real life data set is used to illustrate the results derived. 展开更多
关键词 BURR type XII DISTRIBUTION PROGRESSIVE first-Failure Censored Sample Bayesian Estimations Gibbs Sampling Markov Chain Monte Carlo Posterior Predictive Density
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30Cr13 不锈钢切割吻合器抵钉座断裂原因
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作者 万天 钟世标 +2 位作者 曾志卫 张文彬 吴冰冰 《理化检验(物理分册)》 2026年第1期80-83,87,共5页
某医用不锈钢切割吻合器抵钉座在手术过程中发生断裂,采用宏观观察、低倍检验、化学成分分析、扫描电镜与能谱分析、力学性能测试及金相检验等方法对其断裂原因进行分析。结果表明:该抵钉座的断裂模式为沿晶脆性断裂,回火温度控制不当... 某医用不锈钢切割吻合器抵钉座在手术过程中发生断裂,采用宏观观察、低倍检验、化学成分分析、扫描电镜与能谱分析、力学性能测试及金相检验等方法对其断裂原因进行分析。结果表明:该抵钉座的断裂模式为沿晶脆性断裂,回火温度控制不当是抵钉座断裂的根本原因;抵钉座在回火过程中产生了第一类回火脆性,且晶界处发生严重偏析,最终导致材料的冲击韧性显著下降。 展开更多
关键词 不锈钢 沿晶脆断 第一类回火脆性 偏析
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一类离散时间的Phase-Type分布的逆问题
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作者 聂盼红 刘力维 《南京理工大学学报》 EI CAS CSCD 北大核心 2004年第5期557-560,共4页
该文从条件分布向量序列出发研究离散时间的Phase Type分布的逆问题。利用矩阵分析的方法 ,在已知Markov链首达时间的条件分布向量序列的前提下 。
关键词 马尔可夫链 Phase-type分布 首达时间
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Magnetic properties of Co-doped SnO:first-principles calculations
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作者 谭兴毅 陈长乐 +2 位作者 金克新 曹先胜 邢辉 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第5期342-346,共5页
Based on density functional theory calculations, the electronic and magnetic properties oi Co-duped SnO are investigated. It is found that the spin-polarized state, with a magnetic moment of about 1.0 μB per Co-dopan... Based on density functional theory calculations, the electronic and magnetic properties oi Co-duped SnO are investigated. It is found that the spin-polarized state, with a magnetic moment of about 1.0 μB per Co-dopant, is more favorable in energy than the non-spin-polarized state. Moreover, the origin of the ferromagnetism in Co-doped SnO is found to be the double exchange mechanism. Our results indicate that Co-doped SnO is a possible candidate of the u-type snintronics material. 展开更多
关键词 dilute magnetic semiconductors p-type SnO first-principles calculations
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An approximation of the first passage probability of systems under nonstationary random excitation
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作者 何军 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2009年第2期255-262,共8页
An approximate method is presented for obtaining analytical solutions for the conditional first passage probability of systems under modulated white noise excitation. As the method is based on VanMarcke's approximati... An approximate method is presented for obtaining analytical solutions for the conditional first passage probability of systems under modulated white noise excitation. As the method is based on VanMarcke's approximation, with normalization of the response introduced, the expected decay rates can be evaluated from the second-moment statistics instead of the correlation functions or spectrum density functions of the response of considered structures. Explicit solutions to the second-moment statistics of the response are given. Accuracy, efficiency and usage of the proposed method are demonstrated by the first passage analysis of single-degree-of-freedom (SDOF) linear systems under two special types of modulated white noise excitations. 展开更多
关键词 first passage probability D-type barrier decay rate nonstationary excitation envelope process
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A simplified fragility analysis of fan type cable stayed bridges 被引量:1
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作者 R. A. Khan T. K. Datta S. Ahmad 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2005年第1期83-94,共12页
A simplified fragility analysis of fan type cable stayed bridges usingProbabilistic Risk Analysis (PRA) procedure is presented for determining their failure probabilityunder random ground motion. Seismic input to the ... A simplified fragility analysis of fan type cable stayed bridges usingProbabilistic Risk Analysis (PRA) procedure is presented for determining their failure probabilityunder random ground motion. Seismic input to the bridge support is considered to be a riskconsistent response spectrum which is obtained from a separate analysis. For the response analysis,the bridge deck is modeled as a beam supported on springs at different points. The stiffnesses ofthe springs are determined by a separate 2D static analysis of cable-tower-deck system. The analysisprovides a coupled stiffness matrix for the spring system. A continuum method of analysis usingdynamic stiffness is Used to determine the dynamic properties of the bridges .The response of thebridge deck is obtained by the response spectrum method of analysis as applied to multi-degree offreedom system which duly takes into account the quasi - static component of bridge deck vibration.The fragility analysis includes uncertainties arising due to the variation in ground motion,material property, modeling, method of analysis, ductility factor and damage concentration effect.Probability of failure of the bridge deck is determined by the First Order Second Moment (FOSM)method of reliability. A three span double plane symmetrical fan type cable stayed bridge of totalspan 689 m, is used as an illustrative example. The fragility curves for the bridge deck failure areobtained under a number of parametric variations. Some of the important conclusions of the studyindicate that (ⅰ) not only vertical component but also the horizontal component of ground motionhas considerable effect on the probability of failure; (ⅱ) ground motion with no time lag betweensupport excitations provides a smaller probability of failure as compared to ground motion with verylarge time lag between support excitation; and (ⅲ) probability of failure may considerablyincrease for soft soil condition. 展开更多
关键词 probabilistic risk analysis fan type cable stayed bridge fragilityanalysis first order second moment
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Multiple Solutions for Discrete First-Order Periodic Problems
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作者 Chenghua GAO 《Journal of Mathematical Research with Applications》 CSCD 2014年第3期323-331,共9页
Let T 〉 1 be an integer, T = {0, 1,2,... ,T- 1}. This paper is concerned with the existence of periodic solutions of the discrete first-order periodic boundary value problems △u(t) - a(t)u(t) =λu(t) + f(u... Let T 〉 1 be an integer, T = {0, 1,2,... ,T- 1}. This paper is concerned with the existence of periodic solutions of the discrete first-order periodic boundary value problems △u(t) - a(t)u(t) =λu(t) + f(u(t -τ(t))) - h(t), t ∈T, u(O) = u(T), = where △u(t)=u(t+1)-u(t),a:T→R and satisfies ∏ (T-1) t=0 (1+a(t))=1,τ:T→Z t-τ(t)∈T for t ∈T,f:R→R is continuous and satisfies Landesman-Lazer type condition and h : T → R. The proofs of our main results are based on the Rabinowitz's global bifurcation theorem and Leray-Schauder degree. 展开更多
关键词 discrete first-order periodic problems Landesman-Lazer type condition Leray-Schauder degree BIFURCATION existence.
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Magnetic Field Induced Entropy Change for La-Fe Based NaZn_(13)-Typed Compounds
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作者 Zhang Hongwei Sun Jirong Hu Fengxia Wang Fang Shen Baogen 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第4期I0011-I0011,共1页
Magnetic field induced entropy change was investigated for La-Fe based NaZn13-type compounds with magnetic first-order phase transition. In view of magnetic refrigeration at room temperature, the developing of the mat... Magnetic field induced entropy change was investigated for La-Fe based NaZn13-type compounds with magnetic first-order phase transition. In view of magnetic refrigeration at room temperature, the developing of the materials and the understanding of the entropy change were., reviewed. For La-Fe-Si compounds, the entropy change about 29 J·kg^- 1·K^-1 was obtained at 190 K under the magnetic field of 5 T.While a large entropy change of about 15 J·kg^-1·K^-1 near room temperature under 5 T can be obtained by the substitution of Co for Fe in the compounds. It is found that the entropy change is mainly composed of that contributed from magnetic ordering and crystal lattice. The large entropy change consumed by lattice contribution is mainly due to the magnetic ordering one. 展开更多
关键词 La-Fe based NaZn13-typed compounds entropy change magnetic first-order phase transition rare earths
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松辽盆地北部三肇凹陷青山口组一段基质型页岩油富集地质特征及勘探实践
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作者 李士超 杨建国 +3 位作者 姚玉来 王博洋 肖飞 黄一鸣 《地质学报》 北大核心 2025年第11期3842-3857,共16页
松辽盆地北部三肇凹陷上白垩统青山口组一段(青一段)发育半深湖—深湖相厚层暗色泥页岩,蕴藏着丰富基质型页岩油资源。然而,该区域目前尚未实现大规模高效开发,其中页岩油富集模式不明、有利层段不清是制约其勘探开发进程的关键因素。... 松辽盆地北部三肇凹陷上白垩统青山口组一段(青一段)发育半深湖—深湖相厚层暗色泥页岩,蕴藏着丰富基质型页岩油资源。然而,该区域目前尚未实现大规模高效开发,其中页岩油富集模式不明、有利层段不清是制约其勘探开发进程的关键因素。鉴于此,本文以研究区典型井的青一段样品为研究对象,系统分析泥页岩矿物组成、有机地化、含油性及可动性等核心地质参数。在此基础上,开展岩相划分,深入剖析不同岩相在储集性、含油性及可动性上的差异,进而完成有利岩相优选、富集类型构建及有利层段划分,并将研究成果应用于勘探实践。研究结果表明:研究区青一段泥页岩有机质丰度高、类型好,处于成熟阶段早期;储层具有孔-缝双重体系,整体含油性及可动性较好,但纵向非均质性较强。通过岩相识别,共划分出9种岩相类型,并构建了3种页岩油富集类型。其中,高有机质纹层状长英质页岩相占比最高,储集性能、含油性及可动性更优,是页岩油富集的最有利岩相,其富集类型为“大孔富缝强连通+游离烃富集型”。基于直井在储集性、含油性、可动性、可压性的纵向分布特征,优选出3个有利层段,经压裂施工后获得日产3.46 m3工业油流。研究结果为陆相基质型页岩油高效勘探开发提供理论依据。 展开更多
关键词 页岩油 岩相 富集类型 有利层段 三肇凹陷 青一段
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Effect on Defect in N or F-Doped Ferromagnetic Zn<sub>1-x</sub>Cu<sub>x</sub>O: First-Principles Study
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作者 Byung-Sub Kang Kwang-Pyo Chae Haeng-Ki Lee 《Materials Sciences and Applications》 2014年第14期1004-1010,共7页
We investigated the electronic and magnetic properties for O or Zn defect of (Cu, N) or (Cu, F)-co- doped ZnO with the concentration of 2.77% - 8.33% by using the first-principles calculations. The ferromagnetic coupl... We investigated the electronic and magnetic properties for O or Zn defect of (Cu, N) or (Cu, F)-co- doped ZnO with the concentration of 2.77% - 8.33% by using the first-principles calculations. The ferromagnetic coupling of Cu atoms in (Cu, N)-codoped ZnO can be attributed to the hole-mediated double-exchange through the strong 2p-3d coupling between Cu and neighboring O (or N) atoms. The ferromagnetism in Cu-doped ZnO is controllable by changing the carrier density. The Cu magnetic moment in low Cu concentration (2.77%) is increased by the N-doping, while for the F-doping it decreases. For two Cu atoms of Zn0.9445Cu0.0555O with O vacancy, the antiferromagnetic state is more energetically favorable than the ferromagnetic state. 展开更多
关键词 The p-type ZnO: CU Carrier Doping FERROMAGNETIC HALF-METALLIC first-Principles
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单螺杆压缩机第一类泄漏通道内压降的试验研究 被引量:1
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作者 张业强 李帅博 +3 位作者 李康利 张雪龄 陈凯 王燕令 《流体机械》 北大核心 2025年第6期9-15,共7页
为了探究不同条件下单螺杆压缩机第一类泄漏通道内气-液两相流的泄漏规律,将单螺杆压缩机的第一类泄漏通道简化为窄缝通道,啮合间隙即为窄缝通道的高度。以氮气为气相介质、以去离子水和甘油溶液为液相介质,研究了气液相速度、通道高度... 为了探究不同条件下单螺杆压缩机第一类泄漏通道内气-液两相流的泄漏规律,将单螺杆压缩机的第一类泄漏通道简化为窄缝通道,啮合间隙即为窄缝通道的高度。以氮气为气相介质、以去离子水和甘油溶液为液相介质,研究了气液相速度、通道高度和液体黏度对窄缝通道内气-液两相流压降的影响规律。结果表明,随着气液相速度的增加,两相流压降增加,其中,液相速度对压降的影响明显大于气相速度对压降的影响;在相同气液相速度时,随着通道高度的增加,压降迅速降低,高度从0.03 mm增加到0.05 mm时,压降最大,而在高度从0.05 mm增加到0.08 mm时,压降较小;液相速度从0.14 m/s升高至0.28 m/s时,水、20%甘油溶液、40%甘油溶液的压降依次从3.01,4.39,8.61 kPa增大至5.81,7.80,15.5 kPa;通过对分相流模型的Chisholm参数进行修正,拟合得到新的关联式,能较好预测高度从0.01~0.08 mm的窄缝通道内的压降,最大偏差不超过25%。研究可为单螺杆压缩机的设计和制造提供理论参考。 展开更多
关键词 单螺杆压缩机 第一类泄漏通道 窄缝通道 压降
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共掺杂β-Ga_(2)O_(3)导电性质第一性原理研究
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作者 王淳 王坤 +2 位作者 宋相满 任林 张浩 《人工晶体学报》 北大核心 2025年第8期1426-1432,共7页
本文基于密度泛函理论的第一性原理计算方法,研究了Mg-Al共掺杂、F-Zn共掺杂和N-Mg共掺杂β-Ga_(2)O_(3)三种体系的结构性质和电学性质,以期获得高性能共掺杂P型导电β-Ga_(2)O_(3)材料。结果表明,Mg-Al共掺杂和F-Zn共掺杂β-Ga_(2)O_(3... 本文基于密度泛函理论的第一性原理计算方法,研究了Mg-Al共掺杂、F-Zn共掺杂和N-Mg共掺杂β-Ga_(2)O_(3)三种体系的结构性质和电学性质,以期获得高性能共掺杂P型导电β-Ga_(2)O_(3)材料。结果表明,Mg-Al共掺杂和F-Zn共掺杂β-Ga_(2)O_(3)仍为直接带隙半导体材料,而N-Mg共掺杂β-Ga_(2)O_(3)为间接带隙半导体材料。三种共掺杂体系均具有较低的形成能。其中Mg-Al共掺杂β-Ga_(2)O_(3)体系形成能最低,表现出较好的热力学稳定性。该体系中,Mg-p和Al-p轨道推移价带顶向高能方向移动,并穿越费米能级,是三种掺杂体系中最有可能实现P型导电性质的材料。 展开更多
关键词 共掺杂β-Ga_(2)O_(3) 第一性原理 P型导电 电子结构 密度泛函理论 半导体
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新诊断2型糖尿病患者β细胞第一时相分泌功能与颈部动脉粥样硬化斑块的相关性研究
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作者 王晓明 张洋 +3 位作者 王鲲 田伊茗 刘鑫 王锐 《临床和实验医学杂志》 2025年第6期605-609,共5页
目的探究新诊断2型糖尿病(T2DM)患者β细胞第一时相分泌功能与颈部动脉粥样硬化斑块的相关性。方法前瞻性选取2022年9月至2024年8月秦皇岛市第一医院收治的新诊断的T2DM患者70例及同期健康体检者60名作为研究对象,分别作为病例组和对照... 目的探究新诊断2型糖尿病(T2DM)患者β细胞第一时相分泌功能与颈部动脉粥样硬化斑块的相关性。方法前瞻性选取2022年9月至2024年8月秦皇岛市第一医院收治的新诊断的T2DM患者70例及同期健康体检者60名作为研究对象,分别作为病例组和对照组。统计并比较两组受检者的一般资料(性别、年龄、体重指数、疾病史、吸烟、饮酒、收缩压、舒张压)、实验室指标[甘油三酯、总胆固醇、低密度脂蛋白胆固醇(LDL-C)、高密度脂蛋白胆固醇(HDL-C)、同型半胱氨酸(Hcy)、空腹血糖、糖化血红蛋白(GHb)、尿酸]、颈部动脉粥样硬化斑块检出情况及急性胰岛素反应(AIR 3~5)。利用Pearson相关分析AIR 3-5与各变量的相关性;采用多元逐步回归分析探究β细胞第一时相分泌功能的影响因素。结果两组受检者在性别构成比、年龄、疾病史(高血压、冠心病)、吸烟、饮酒、收缩压、舒张压、总胆固醇、LDL-C、HDL-C和Hcy方面比较,差异均无统计学意义(P>0.05);病例组患者体重指数、甘油三酯、空腹血糖、GHb、尿酸分别为(28.62±4.23)kg/m^(2)、(2.87±0.56)mmol/L、(7.73±0.36)mmol/L、(8.36±0.52)%、(420.25±89.55)μmol/L,均明显高于对照组[(25.48±3.66)kg/m^(2)、(1.68±0.46)mmol/L、(5.26±0.63)mmol/L、(5.62±0.67)%、(340.26±42.54)μmol/L],差异均有统计学意义(P<0.05)。病例组患者颈部斑块检出率为64.29%,显著高于对照组,且AIR 3-5水平为(4.25±0.80)μU/mL,显著低于对照组[(7.64±1.45)μU/mL],差异均有统计学意义(P<0.05)。体重指数、甘油三酯、空腹血糖、GHb、尿酸、颈部斑块检出率与AIR 3-5均呈负相关(P<0.05)。多元逐步回归分析结果表明,体重指数、甘油三酯、颈部斑块是AIR 3-5的影响因素(P<0.05)。结论新诊断T2DM患者β细胞第一时相分泌功能与颈部动脉粥样硬化斑块的形成存在显著相关性。患者体重指数、甘油三酯水平以及颈部斑块检出情况是影响β细胞第一时相分泌功能的重要因素。 展开更多
关键词 新诊断2型糖尿病 β细胞第一时相分泌功能 颈部动脉粥样硬化斑块 相关性
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Ca-Co(Zn)共掺杂对M型锶铁氧体性能影响的第一性原理计算研究
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作者 李昕语 侯育花 +3 位作者 陈璇 黄有林 李伟 陶小马 《物理学报》 北大核心 2025年第6期232-242,共11页
六角晶系磁铅石型(M型)锶铁氧体因其独特的磁性、介电性能和热稳定性,在永磁材料领域备受关注.但相比于稀土永磁Nd_(2)Fe_(14)B材料来说,M型锶铁氧体(SrFe_(12)O_(19))永磁材料的综合磁性能较低,这极大地限制了其使用范围.本文基于密度... 六角晶系磁铅石型(M型)锶铁氧体因其独特的磁性、介电性能和热稳定性,在永磁材料领域备受关注.但相比于稀土永磁Nd_(2)Fe_(14)B材料来说,M型锶铁氧体(SrFe_(12)O_(19))永磁材料的综合磁性能较低,这极大地限制了其使用范围.本文基于密度泛函理论的第一性原理计算方法,结合广义梯度近似(GGA+U),系统研究了Ca-Co(Zn)共掺杂对M型锶铁氧体的电子结构、力学性能、导电性和磁性能的影响.计算结果表明,Ca-Co(Zn)共掺杂SrFe_(12)O_(19)铁氧体均具有良好的结构稳定性和力学性能.Ca-Zn共掺杂可以使体系导电性增强,这是因为二价Zn离子取代了^(4)f_(1)晶位的三价Fe离子.同时,Ca-Co(Zn)共掺杂使体系的总磁矩增大,磁晶各向异性能下降,但相比于Co和Zn单掺杂体系,磁晶各向异性能有所改善.这表明,Ca-Co(Zn)共掺杂能够有效地提高M型锶铁氧体的磁性能,并具备节约成本和环保的优点. 展开更多
关键词 M型锶铁氧体 第一性原理计算 掺杂 磁性能
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Ga、N离子掺杂ZnO的密度泛函理论研究
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作者 李文志 邱艳妮 +2 位作者 左靖靖 张静 王艳 《生物化工》 2025年第1期6-10,共5页
采用密度泛函理论的第一性原理计算方法,深入研究对ZnO进行单原子N掺杂、Ga-N相邻共掺杂以及非相邻共掺杂后的电子结构和光学性质变化。计算结果表明,单原子N掺杂与Ga-N非相邻共掺杂ZnO都会在其能带中引入窄的深受主能级,导致空穴载流... 采用密度泛函理论的第一性原理计算方法,深入研究对ZnO进行单原子N掺杂、Ga-N相邻共掺杂以及非相邻共掺杂后的电子结构和光学性质变化。计算结果表明,单原子N掺杂与Ga-N非相邻共掺杂ZnO都会在其能带中引入窄的深受主能级,导致空穴载流子的局域化,从而使体系不稳定;只有在Ga-N相邻共掺杂的情况下,施主Ga原子才会对受主N原子起到激活作用,形成宽的浅受主能级,降低受主能级的局域化,有效实现ZnO的p型化。此外,光学性质的计算显示,在开发ZnO-Ga-N材料中,若想得到更好的p型导电材料,相邻掺杂是最佳选择;而在追求更精确的带隙调控和更优越的光学性能方面,非相邻掺杂的ZnO显示出更好的应用潜力。研究结果为ZnO的p型化及其在光电器件中的应用提供了明确的思路和理论依据。 展开更多
关键词 ZNO 第一性原理 共掺杂 p型化
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