非晶态合金Fe83B17和Ni64B36结构的研究

本文叙述了用偏振中子衍射方法对Fe₈₃B₁₇非晶合金和中子衍射方法对Ni₆₄B₃₆非晶合金的结构研究。由实验数据计算了每种合金的偏干涉函数(PSF)S_ij(Q),和偏简约径向分布函数G_ij(r)。并得到原子短程结构上的各项参数。在此基础上,讨论了这一类非晶态合金的结构模型,计算了其一种模型简单单元的中子衍射散射强度,并和实验所得的结果作了比较。 关键词：     

非晶态合金Co81.5B18.5结构的研究

本文叙述了用X射线衍射方法及偏振中子衍射方法对Co_81.5B_18.5非晶合金的结构研究。利用两种数据处理方法,从实验结果中计算了Co_81.5B_18.5的偏干涉函数(PSF),S_ij(Q),和偏简约径向分布函数G_ij(r)。并对这两种结果作了比较。最后计算了一种模型简单单元的中子衍射散射强度,并讨论了这一非晶合金的结构模型。 关键词：     

非晶态FeCoSiB,FeSiB和FeB的微观结构X射线衍射分析

用X射线衍射方法分析非晶态合金Fe₅Co₇₀Si₁₅B₁₀,Fe₇₈Si_1OB₁₂和Fe₈₀B₂₀的结构,由测得的衍射强度数据计算了这些合金的结构因子和径向分布函数(RDF)。为得到二元非晶合金Fe₈₀B₂₀的部分径向分布函数(PRDF),用两个高斯型函数之和弥合Fe 关键词：     

二元非晶态合金结构模型化的Rt判据

类金属原子的相对分布是过渡金属-类金属(TM-M)型非晶态合金结构中化学短程序的一个重要特征。本文根据这一思想定义了一个新的制作此类非晶态合金结构模型的判据,并使用此判据制作了几个组分和成分都各不相同的结构模型,分别模拟Ni₆₄B₃₆,Fe₈₀B₂₀,Ni₈₁B₁₉和Co₈₁P₁₉非晶态合金的结构。所得的各部分径向分布函数G_ij(r)都与实验相符。将这些结果与前人的工作作了比较,并进行了讨论。 关键词：     

非晶态合金Fe_(83)B_(17)和Ni_(64)B_(36)结构的研究

本文叙述了用偏振中子衍射方法对Fe_83B_17非晶合金和中子衍射方法对Ni_64B_36非晶合金的结构研究。由实验数据计算了每种合金的偏干涉函数(PSF) S_(ij)(Q),和偏简约径向分布函数G_(ij)(r)。并得到原子短程结构上的各项参数。在此基础上,讨论了这一类非晶态合金的结构模型,计算了其一种模型简单单元的中子衍射散射强度,并和实验所得的结果作了比较。     

非晶态合金结构模型中势函数的局域和关联效应

Co₈₁P₁₉及Ni₆₄B₃₆非晶态合金的无规硬球密堆的初始位形,分别用Lenard-Jones势及Morse势进行了松弛。在Ni₆₄B₃₆的计算中,考虑了两种位移分数f=0.005及f=1情况。由计算数据可求得体系总能量,简约偏径向分布函数及角分布函数。文中讨论了势函数的局域性及关联性对二元非晶态合金中的化学短程序所造成的影响。 关键词：     

几种金属玻璃结构的X射线研究

本工作用X射线散射技术研究了金属一类金属玻璃合金Pd₇₇Si_16.5Ag_6.59,Co_42.9Ni_27.3Fe_7.8Si₈B₁₄和Co_50.7Ni_19.5Fe_7.8Si₆B₁₆的结构。求出了它们的干涉函数I(s)和原子径向分布函数RDF(r),并由此获得了有关结构信息的原子平均距离、最近邻配位数和短程有序畴半径。此外,对这些合金的RDF(r)第一峰作了高斯分布拟合,求得了比较好的拟合方程,并用近似方法估算了其中金属-金属原子间的配位数。 关键词：     

非晶态合金Co_(81.5)B_(18.5)结构的研究

本文叙述了用X射线衍射方法及偏振中子衍射方法对Co_(81.5)B_(18.5)非晶合金的结构研究。利用两种数据处理方法,从实验结果中计算了Co_(81.5)B_(18.5)的偏干涉函数(PSF),S_(ij)(Q),和偏简约径向分布函数G_(ij)(r)。并对这两种结果作了比较。最后计算了一种模型简单单元的中子衍射散射强度,并讨论了这一非晶合金的结构模型。     

尺寸效应对非晶态TM100-xMx合金结构的影响

本文通过对非晶态合金结构的计算机模拟,研究非晶态TM_100-xM_x合金在成分基本相同条件下,M原子与TM原子尺寸比的变化对合金结构的影响。为此,分别模拟了Fe₈₀P₂₀,Co₈₁P₁₉和Fe₈₀B₂₀等非晶态合金的结构,并从径向分布函数、拓扑短程序、结构的稳定性和电子迁移引起的原子尺寸变化等方面讨论了原子尺寸的变化对非晶态合金结构的 关键词：     

用X射线异常色散效应测定二元非晶合金Fe82B18偏径向分布函数方法的简化

本文采用Mo,Cu,Co三种不同波长的X射线辐射,测定了Fe₈₂B₁₈二元非晶合金的径向分布函数。比较了不同波长辐射对测定径向分布函数的影响。应用X射线异常色散方法计算了Fe₈₂B₁₈二元非晶合金的偏径向分布函数。在计算时略去了B-B原子对对径向分布函数的贡献,因而简化了计算过程,并相对提高了计算精度。所得结果与国际上使用同类方法或其它方法的结果相近。 关键词：     

Disorder in liquid Cu–Pd alloys

The disorder in thermodynamic and microscopic structure of liquid Cu–Pd alloy at 1350?K has been studied using regular associated solution model. For this, we have calculated free energy of mixing (G_M ), activity (a), concentration fluctuation in long wavelength limit [S_CC (0)] and chemical short-range order parameter (α ₁) of liquid Cu–Pd alloy at 1350?K. The energetic and structural asymmetry of liquid Cu–Pd alloys has been successfully explained on the basis of regular associated solution model.     

A nonperturbative stability theory of quantum field theory models

A nonperturbative method of analysis of the stability problem of quantum field theory models is proposed. The method consists in the systematic analysis of the functional dependence on boson field B of the effective boson Lagrangian S^eff(B) consisting of the fermion term S_l^F(B), constraint term S_l^FP(B) and the boson self-interaction term S_l(B). A new heat kernel representation for S_l^F(B) is derived in which counterterms are calculated in the explicit functional form by means of the analytic renormalization method. Using these results the instabillity of Yukawa₄, four-Fermi₄, and the massive Gürsey models is demonstrated.     

Deformation‐induced bonding evolution of iron tetraboride and its electronic origin

First‐principles density functional calculations are employed to provide a fundamental understanding of the structural features, mechanical properties, deformation behaviours and its electronic origin for the new synthesized FeB₄. The calculated elastic moduli suggest that FeB₄ has a low compressibility, but results of ideal shear strength and theoretical hardness indicate that FeB₄ is a hard material, not a superhard material. We find that the collapse of the unique corrugated B₆ units ring in FeB₄ under deformation is responsible for the failure under tensile and shear deformation based on the calculated charge density distribution and bonding evolution. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Quasi-lattice model for the thermodynamic properties and microscopic structure of molten Fe-Si alloy

The quasi-lattice model has been used to study the concentration dependant thermodynamic properties and microscopic structure of Fe-Si alloys in molten state. We have determined the free energy of mixing, excess entropy of mixing, the concentration-concentration structure factor in long wavelength limit [S_CC(0)] and the Warren-Cowley short range order parameter (α₁) of Fe-Si liquid alloy at 1873 K. The observed asymmetry in the properties of mixing of Fe-Si alloy in molten state is successfully explained on the basis of the quasi-lattice model. The analysis suggests that the Fe₂Si complexes are most likely to exist in the liquid state and are strongly interacting in nature. The theoretical analysis suggests that the pairwise interaction energies between the species depend considerably on temperature and the alloy is more ordered towards Fe rich region.     

Systematic behavior ofB(E2) values in the yrast bands of doubly even nuclei

The experimental information onB(E2) transition rates in the yrast bands of doubly even nuclei (126≦A≦184) is systematized. The strength functionS _exp≡B(E2,I→I?2)×E(I→I?2) is found to reveal characteristic behavior significant for structure studies of yrast bands. The energy-weightedB(E2,I→I?2) values (S _exp) and 2?/?²(?: moment of inertia) are plotted versus the rotational frequency squared ?²ω² for each nucleus. In strongly deformed nuclei (N≧90), theS _exp curves smoothly increase for low rotational frequencies suggesting that up to spin valuesI≈8 the ratioQ ₀ ² ? is nearly constant (Q ₀: quadrupole moment). This is not the case in nuclei with a soft core (N≦88). In the relevant discussion, the hydrodynamical model as well as the CAP effect are considered. The results in the backbending region are qualitatively discussed in terms of the two-band crossing model. Evidence is found supporting the prediction of an oscillating behavior of the yrast-yrare interaction.     

Ground state hyperfine structure of95Mo and97Mo

The hyperfine structure of the ground state 4d ⁵ 5s ⁷ S ₃ of⁹⁵Mo and⁹⁷Mo has been measured by the atomic beam magnetic resonance technique with the following results:⁹⁵Mo:A=?208.582060(10)MHz,B=37.050 (100) kHzC=?30 (10) Hz,D=?3 (3) Hz⁹⁷Mo:A=? 212.980930 (10) MHz,B?69.990(140)kHzC=?5 (10) Hz,D=0 (3) Hz. After application of corrections calculated according to second order perturbation theory, the hyperfine structure constants became:⁹⁵Mo: A_c=?208.582560(290)MHz,B _c =16.920(4300)kHzC _c=?30(270) Hz,D _c =? 3 (50) Hz⁹⁷Mo: A_c=212.981450(300) MHz,B _c =?90.780(4400)kHzC _c=?6(270) Hz,D _c =0 (50) Hz. With the known ratio ofg _I(⁹⁵Mo)/g _I(⁹⁷Mo) [1] a calculation of the hyperfine anomaly yields:₉₅ Δ ₉₇=?0.01009(17)%. The ratio of the uncorrectedB factors isB(⁹⁷Mo)/B(⁹⁵Mo)=?1.8890(47). Because of the relatively large effects of second order hyperfine structure, the ratio of the correctedBfactors differs considerably from the ratio of the uncorrectedB factors. From the correctedB factors the electric quadrupole moments may be evaluated by means of calculated radial integrals [2]. The results are:Q (⁹⁵Mo)=?0.019(12)barns,Q(⁹⁷Mo)=0.102(39)barns.