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ON THE RELATIONSHIP BETWEEN THE EMBEDDED-ATOMMETHOD FUNCTION OF TITANIUM AND TEMPERATURE

C. Shen , H. T. Zhang , M. Lu , X.M. Bai and Q.J. Zhang(1) Department of Materials Science , Fudan University , Shanghai 200433 , China2) Department of Materials Science and Engineering , The Ohio State University , OH 43210 , USA )Manuscript received

金属学报(英文版)

Temperature - dependent Embedded-Atom-Method (EAM) function of hcp titanium have been determined by fitting to the lattice constants and elastic constants measured at various temperatures as well as by considering the universal Rose's relation.The EAM functions thus obtained satisfy the stable structure requirement and Cauchy discrepancy. This work shows that EAM functions do have temperature-dependence,and in the meanwhile it also provides EAM functions of titanium for the study of Ti-based metallic materials at various temperatures.

关键词: embedded- atom-method (EAM) , null , null

Studies of the spin Hamiltonian parameters and the local structure of tetragonal Zr3+ Centers in orthophosphate MPO4 (M = Sc, Lu, Y) crystals

Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences

The spin Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) of Zr3+ on the tetragonal M3+ (M = Sc, Lu, Y) sites of zircon-type orthophosphate MPO4 crystals are calculated by high-order perturbation formulas of d(1) ions in tetragonal symmetry. The crystal-field parameters are estimated by the superposition model and reasonable local structural data of impurity centers. The results show good agreement with the experimental values. It appears that in the case of size mismatch, the explanation of the spin Hamiltonian parameters of a paramagnetic impurity in crystals should take the impurity-induced local lattice relaxation into account.

关键词: EPR;spin Hamiltonian parameters;crystal-field theory;defect;structure;Zr3+;MPO4;(M = Sc, Lu, Y);electron-paramagnetic-res;d-orbital theory;superposition-model;single-crystals;cr3+ ions;ypo4;epr;lupo4;ruby;impurities

基于倍半氧化物Er∶Lu2O3的2.85μm连续激光输出

李晓敏

硅酸盐通报

文章研究了晶体Er∶Lu2O3的生长、光谱特性、热传导率和能级跃迁表现.室温下采用971 um的半导体激光器泵浦,获得了1.4W的2.85μm连续激光输出,斜效率为36%.这超越了斯托克斯系数,因为低能级返回高能级粒子循环利用的的上转换过程,产生了目前为止效率最高的3μm激光输出.在激光二极管泵浦下,获得了5.9W的激光输出,斜效率为27%.

关键词: 热交换法 , 热传导率 , m激光器

CF4气氛中生长Re: LiM(Re=Tm,Ce;M=Lu,Y)F4晶体

那木吉拉图 , 阮永丰 , 苏小平 , 杨海 , 杨鹏 , 李楠

人工晶体学报

本文在CF4气氛中以提拉法成功地生长出高质量的掺入Tm3+、Ce3+的LiLuF4和LiYF4晶体,对比了Ar和CF4气氛中生长的LiYF4晶体的红外光谱特性,讨论了CF4气氛对LiM(M=Y,Lu)F4晶体生长的影响.同时测试了Tm3+、Ce3+在LiLuF4和LiYF4晶体中的有效分凝系数,从离子半径和晶胞畸变的角度,讨论了Tm3+、Ce3+在LiLuF4和LiYF4晶体中有效分凝系数差别的产生原因.

关键词: LiYF4 , LiLuF4 , 晶体生长 , 有效分凝系数

A study of spin-hamiltonian parameters for Hf3+ ions in orthophosphate MPO4 (M = Sc, Lu, Y) crystals

Solid State Communications

The spin-Hamiltonian (SH) parameters (g factors g parallel to, g perpendicular to and hyperfine structure constants (177)A parallel to, (179)A parallel to, (177)A perpendicular to, (179)A perpendicular to) of 5d(1) ion Hf3+ in zircon-type orthophosphate MPO4 (M = Sc, Lu, Y) crystals are calculated from two microscopic SH theory methods, the perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM). The calculated results show that when the high-order (i.e., the third-order rather than the conventional second-order) perturbation formulas in PTM are used, the calculated values from both PTM and CDM methods are not only close to each other, but also in good agreement with the experimental values. This suggests that the two microscopic SH theory methods based on crystal-field theory are effective to the explanations of SH parameters for 5d(n) ions in crystals. The covalence effect, the signs of constants A(i) (i = parallel to or perpendicular to) and the core polarization constants K obtained from the calculations are also discussed. (c) 2007 Elsevier Ltd. All rights reserved.

关键词: insulators;point defects;crystal and ligand fields;electron;paramagnetic resonance;electron-paramagnetic-res;phosphate single-crystals;epr parameters;cr3+ ions;laser;ruby

沉淀剂对共沉淀法制备 Lu2O3发光粉体形貌的影响

施鹰 , 陈启伟 , 施剑林

无机材料学报 doi:10.3724/SP.J.1077.2008.00824

研究了共沉淀法制备Eu3+掺杂氧化镥(Lu2O3)发光粉体过程中三种不同的沉淀剂(氨水、碳酸氢铵以及NH3·H2O+NH4HCO3两者的混合溶液)对所得粉体形貌的影响. 通过差热热重质谱联用(DTA-TG-MS)和红外光谱研究了不同沉淀剂所得沉淀前驱体的热分解行为, 结合显微结构观察、粒度分布和比表面积测试, 对三种沉淀剂影响Lu2O3晶粒尺寸和团聚状态的规律进行了探讨. 研究发现: 采用NH3·H2O+NH4HCO3混合沉淀剂得到的Lu2O3粉体具有最佳的显微结构和粒径分布状态, 沉淀前驱体经1000℃煅烧2h, 粉体的平均晶粒尺寸为35nm, 中位粒径(D50)为0.48μm.

关键词: 沉淀剂 , lutetia , powder , co-precipitation processing

沉淀剂对共沉淀法制备Lu2O3发光粉体形貌的影响

施鹰 , 陈启伟 , 施剑林

无机材料学报 doi:10.3321/j.issn:1000-324X.2008.04.038

研究了共沉淀法制备Eu3+掺杂氧化镥(Lu2O3)发光粉体过程中三种不同的沉淀剂(氨水、碳酸氢铵以及NH3·H2O+NH4HCO3两者的混合溶液)对所得粉体形貌的影响.通过差热热重质谱联用(DTA-TG-MS)和红外光谱研究了不同沉淀剂所得沉淀前驱体的热分解行为,结合显微结构观察、粒度分布和比表而积测试,对i种沉淀剂影响Lu2O3晶粒尺寸和团聚状态的规律进行了探讨.研究发现:采用NH3·H2O+NH4HCO3混合沉淀剂得到的Lu2O3粉体具有最佳的显微结构和粒径分布状态,沉淀前驱体经1000°C煅烧2h,粉体的平均晶粒尺寸为35nm,中位粒径(D50)为0.48μm.

关键词: 沉淀剂 , 氧化镥 , 粉体 , 共沉淀法

Fabrication of Porous Si3N4-Lu2Si2O7 Composite Ceramics

Pengfei Zhang Litong Zhang Xiaowei Yin

材料科学技术(英文)

To improve the corrosion resistance of porous Si3N4 used in the high temperature environments, which contain water vapor and volatile species, porous Si3N4-Lu2Si2O7 composite ceramics were fabricated by a process of oxidation bonding and pressureless sintering in flowing N2 atmosphere at the temperatures lower than 1550°C. The pores in ceramics were formed by removing the pore-forming agent (phenolic resin). SiO2 derived by the oxidation of Si3N4 at 1250°C in air reacted with Lu2O3 at various sintering temperatures, leading to the formation of Lu2Si2O7 with excellent oxidation and corrosion resistance. The phase composition, microstructure, and mechanical properties of the porous ceramics depended on the sintering temperatures. Si3N4-Lu2Si2O7 composite ceramics with the porosity of 52% and the pore size of 0.2μm were obtained by oxidation bonding at 1250°C for 1 h and pressureless sintering at 1550°C for 2 h using 4 wt pct Lu2O3 additive.

关键词: Porous ceramics , 氮化硅 , 焦硅酸镥 , 无压烧结

173Lu和174gLu衰变数据的测量

师全林 , 白涛 , 刘杰 , 商建波 , 张小林 , 代义华

原子核物理评论 doi:10.11804/NuclPhysRev.33.04.518

175Lu(n,2n) 174m,gLu(n,2n) 173Lu反应在高能中子通量监测中具有重要作用,其产物的放射性活度通常用HPGe探测器测量,这就需要174m,gLu和173Lu的半衰期和γ射线发射率等衰变数据必须准确无误.在主要的评价核数据库中,只有ENDF/B 7.1和JEFF 3.1.1数据库给出了173Lu和174Lu的半衰期和γ射线的发射几率等衰变数据,其中173Lu的γ射线发射几率ENDF/B 7.1库比JEFF 3.1.1库总体偏高,其他评价数据两个数据库非常一致.在中国原子能研究院的串列加速器上用20 MeV质子辐照金属Yb靶生产了含有173Lu,174m,gLu的放射性溶液,用激光共振电离质谱(LRIMS)和热表面电离质谱(TIMS)两种同位素稀释法测定了该溶液中173Lu和174m,gLu核素浓度,然后制备测量源在HPGe探测器上进行了近7年的跟踪测量,发现173Lu的半衰期为1.45 a,比目前评价的数据1.37 a高6.1%,636.1 keV γ射线发射几率的偏差最大,比ENDF/B 7.1的评价数据偏高7%.174gLu半衰期的测量结果3.37 a,比评价数据3.31 a高约1.8%,174gLu 76.5 keV和1 241.8 keV γ射线的发射几率比ENDF/B 7.1的评价数据分别低1.87%和12.8%.

关键词: 173Lu , 174Lu , 半衰期 , γ射线发射几率 , HPGe

稀土Lu2O3对氮化硅陶瓷性能的影响

仝建峰 , 李宝伟 , 王岭 , 陈大明

材料工程 doi:10.3969/j.issn.1001-4381.2010.z1.001

以稀土氧化物Lu2O3作为单一添加剂,研究了稀土氧化物的添加量对氮化硅在相变过程密度、力学性能的影响规律.指出了氮化硅粉体的α→β相变率与稀土氧化物的添加量、粉体的热处理温度之间的关系.研究表明:加入Lu2O3添加剂后,β-Si3N4相的比率随着温度的升高呈明显上升趋势,当热处理温度达到1750℃时,β-Si3N4相的比率几乎接近或达到100%.随着Lu2O3含量的增加,在烧结过程中所形成的液相量随之增多,相对密度随之提高.随Lu2O3添加量的增加,试样的抗弯强度也增大,在10%时达到峰值,抗弯强度为1259.90MPa;氮化硅陶瓷的硬度随Lu2O3添加量的变化规律与抗弯强度的变化规律相似.Lu2O3含量在10%时,试样的断裂韧性值达到最大,为6.277MPa·m1/2.

关键词: 氮化硅 , 氧化镥

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