关于PCG迭代矩阵特征值近似计算

对于预处理共轭梯度法,本文给出其迭代矩阵AM^-1与三对角阵B_s之间的关系,并对B_s的特征值分布作了分析,进而得到关于AM^-1特征值的一些性质。通过算例对两者的特征值及条件数进行了探讨。     

不同磁场环境下Heisenberg XXZ自旋链中的热量子失协

本文研究了不同磁场环境下一维Heisenberg XXZ自旋链中两量子比特的热量子失协特性. 在四种不同的磁场环境下: 1) B₁=B₂=0 (无磁场); 2) B₁≠0, B₂=0 (磁场只作用于其中一个量子比特); 3) B₁=B₂ (均匀磁场); 4) B₁=-B₂ (非均匀磁场), 对分别作用在每个量子比特上的磁场B₁和B₂对其量子关联的影响作了详细的讨论, 且数值计算和比较了其量子失协和量子纠缠的异同. 结果显示: 在有限温度下, 量子失协相比于量子纠缠更普遍, 且非均匀磁场相比于均匀磁场对量子失协和量子纠缠更有用, 更有利于量子通讯和量子信息处理过程. 关键词： 量子关联 纠缠 量子失协     

磁场微重力效应的研究

将导电的液体置于磁场中,使导电液体中浮力驱动的自然对流减弱甚至消失,在导电液体中制造出了二级微重力效应,将这种情况称为磁场微重力效应.通过研究导电液体自然对流驱动力的无量纲Grashof数的变化,发现微重力效应的水平可以用公式g_m＝（β₀/β_m）（ν₀ /ν_m）²g₀ 计算,如果略去一次项,则可用g_m＝（ν₀ /ν_m）²g₀来估算.测量研究了不同磁场条件下硅熔体的磁黏度,估算不同磁场强度对应的磁场微重力水平后,发现估算结果与实验结果基本符合. 关键词： 磁场 二级微重力效应 Grashof数 微重力水平     

NFX(X=-1,0,+1)分子离子基态的结构与势能函数

用密度泛函理论的B3LYP方法,分别以6-311++g(df,3pd),6-311g(3d,3p)和6-311++g(3df,3pd)为基函数对NF分子、NF⁺和NF^-离子基态进行几何优化和频率计算,并进行单点能扫描计算.用最小二乘法拟合得到NF^X(X=-1,0,+1)分子离子基态的Murrell-Sorbie势能函数.利用得到的解析势能函数计算出的NF分子和NF⁺离子基态光谱常数(B_e,α_e,ω_e,ω_eχ_e)与实验值符合很好.首次得到NF^-离子基态的光谱常数(B_e,α_e,ω_e,ω_eχ_e)和力常数(f₂,f₃,f₄),为NF-离子基态的后期研究提供理论参考.     

稳恒磁场下金属电沉积枝晶生长的模拟

采用Monte-Carlo模拟方法,给出用于描述稳恒磁场作用下电沉积枝晶生长的模型.该模型综合考虑了外加磁场B,电解溶液浓度和离子在阴极发生还原反应的几率P_s等因素对电沉积过程的影响,模拟得到与实验结果一致的枝晶生长图形.模拟结果表明:团簇的形状和它们的分形维数都与外加磁场B的强弱,即体现在模型中离子的旋转角速度ω的大小有关;随着磁场强度的增加,沉积团簇会从分形向非分形转变;在相对强的外加磁场作用下,较高离子浓度时的沉积物是非分形的;离子在阴极的反应概率P_s越小,随着磁场强度的增加枝晶生长越易趋向非分形.     

强磁场条件下金属凝固过程中第二相的迁移行为

理论分析表明,第二相的迁移行为可以通过迁移速度进行表征.影响迁移速度的因素包括第二相和熔体的物理性质、磁场强度和梯度大小、第二相的形状和体积等因素.强磁场下洛伦兹力的效果为促进第二相在基体中的均匀分布,其效率在磁场强度大于某一定值时逐渐降低.在梯度强磁场条件下,第二相迁移行为和分布状态的主要控制参数是梯度磁场下的磁化力.在磁场梯度较小时,因洛伦兹力的制约磁化力控制第二相迁移的效果不明显,随着磁场梯度的增加,磁化力的作用效果逐渐增强.通过研究强磁场下Al-Si合金、Al-Ni合金中原位自生第二相的迁移行为实 关键词： 强磁场 迁移 第二相 凝固     

广义Birkhoff系统的Birkhoff对称性与守恒量

研究广义Birkhoff系统的Birkhoff对称性问题,并给出此情形下相应的守恒量.将力学系统的等效Lagrange函数的一个定理推广到广义Birkhoff系统,证明了在一定条件下与两组动力学函数B,R_μ,Λ_μ和B,R_μ,Λ_μ分别给出的广义Birkhoff方程相关联的矩阵Λ 关键词： 广义Birkhoff系统 Birkhoff对称性 守恒量 矩阵迹     

双原子填充式skutterudite化合物的结构及X射线光电子能谱分析

用高温熔融、淬火、扩散退火结合放电等离子烧结(SPS)法合成了Ca和Ce复合填充的单相Ca_mCe_nFe_xCo_4-xSb₁₂(m=0.17—0.27，n=0.05—0.25，x=1.5)化合物，并结合Rietveld结构解析以及X射线光电子能谱(XPS)分析研究了两种原子复合填充skutterudite化合物的结构与填充状态.Rietveld结构解析表明，Ca_mCe_nFe_1.5Co_2.5Sb₁₂化合物具有skutterudite结构，Ca和Ce原子填充到了Sb的二十面体空洞中，填充原子热振动参数B_Ca/Ce远大于框架原子的热振动参数B_Fe/Co和B_Sb.XPS元素窄区谱分析结果表明，Sb原子在结构中有五种化学状态，每种化学状态的相对含量主要由总填充分数决定，填充原子Ca在Sb的二十面体空洞出现概率有三种可能，但在中心位置出现的概率最大. 关键词： skutterudite化合物 双原子复合填充 结构 X射线光电子能谱分析     

块体非晶合金的黏度与玻璃形成能力的关系

基于经典结晶理论讨论了非晶合金的晶化动力学因素和晶化热力学因素对玻璃形成能力（GFA）的影响.分析表明,合金的等温转变（TTT）曲线“鼻尖”温度T_n对应的黏度与晶化阻力因子成正比;重新加热时晶化开始温度T_x对应的黏度与晶化驱动力因子成反比.由此得到了新的GFA参数ω₀=（T_g-T₀）/（T_x-T₀）-（T_g-T₀）/（T_n-T₀）,其中T_g为玻璃转变温度,T₀为理想玻璃转变温度.统计结果显示,ω₀与临界冷却速率具有较高的相关性,R²高达09626.进一步分析表明：新提出的ω₀参数可以合理地解释过冷熔体的黏度、脆性、液相稳定性、热稳定性以及T_rg、ΔT_x、γ、γ_m、ΔT_rg、α、β、δ和φ等参数与GFA的关系. 关键词： 块体非晶合金 黏度 脆性 玻璃形成能力     

Pr2Fe14(C,B)/α-(Fe,Co)型纳米晶复合磁体的结构与磁性

研究了Pr_xFe_82-x-yTi_yCo₁₀B₄C₄ (x=9—10.5;y=0, 2)纳米晶薄带的结构与磁性. 结果表明,所有薄带皆主要由2∶14∶1, 2∶17和α-(Fe, Co)三相组成. 对于y=0的合金,其内禀矫顽力随Pr含量x的增加而增加,剩磁随Pr含量x的增加而减小. 以Ti置换部分Fe (y=2),合金的磁性能得到显著提高,表现为:添加Ti后,合金的剩磁B_r基本不降低,x=10.5时合金的B_r值甚至有较明显的提高;同时添加Ti后,合金的内禀矫顽力及退磁曲线的方形度都明显改善. 当x=10.5,y=2时,合金薄带的磁性能达到最佳值为: B_r=9.6 kGs(1 Gs=10^-4 T),_iH_c =10.2 kOe(1 Oe=79.5775 A/m)和(BH)_max＝17.4 MGOe. 随着Pr含量的提高,合金中的硬磁相2 ∶14 ∶1的含量相对增加,内禀矫顽力提高;而Ti置换Fe抑制了软磁相α-(Fe, Co)在快淬和热处理过程中的优先长大,使合金中软磁相和硬磁相的晶粒尺寸及比例趋向最佳组合,交换耦合作用明显增强. 关键词： 纳米晶永磁材料 2Fe₁₄(C')" href="#">Pr₂Fe₁₄(C B) Ti添加 交换耦合     

Effect of grain-boundary flux pinning in MgB2 with columnar structure

We studied the flux pinning properties by grain boundaries in MgB₂ films prepared by using a hybrid physical chemical vapor deposition method on the c-axis oriented sapphire substrates. All the films we report here had the columnar grains with the growth direction perpendicular to the substrates and the grain sizes in the range of a few hundred nanometers. At very low magnetic fields, no discernable grain-boundary (GB) pinning effect was observed in all measuring temperatures, but above those fields, the effect of GB flux pinning was observed as enhanced critical current densities (J_cs) and reduced resistances when an external magnetic field (B) was aligned parallel to the c-axis. We interpret the B dependence of J_c in the terms of flux line lattice shear inside the columnar grains activated by dislocations of Frank–Read source while the flux lines pinned by GB act as anchors for dislocations. Magnetic field dependence of flux pinning force density for B parallel to the c-axis was reasonably explained by the above model.     

M2Sn17(M=Ni，Mn)及其阴离子的几何结构、电子结构和磁性的计算研究

采用密度泛函理论(density functional theory, DFT)中的广义梯度近似(generalized gradient approximation, GGA) 对Ni₂Sn₁₇，Mn₂Sn₁₇，［Ni₂Sn₁₇］^4-和［Mn₂Sn₁₇］^2-三种同分异构体的几何结构、电子 关键词： 2Sn₁₇')" href="#">Ni₂Sn₁₇ 2Sn₁₇')" href="#">Mn₂Sn₁₇ 几何结构 电子结构和磁性 密度泛函理论     

添加Nb在快淬NdFeB永磁体中的作用研究

系统研究了Nb元素的添加对快淬(Nd,Dy)_11.5Fe_82.4-nNb_nB_6.1(n=0,0.5,1,1.5,2)永磁体磁性能、温度特性及显微组织的影响. 结果表明：少量Nb元素的添加可以在不显著影响剩磁的情况下较大幅度提高磁体的内禀矫顽力，降低磁通不可逆损失. Nb在NdFeB磁体中的作用是使晶粒细小化、均匀化、规则化，提高交换耦合钉扎场H_p，减小材料内部的散磁场，显著降低磁通不可逆损失，改善NdFeB磁体在高温下的使用性能.     

Evaluation of magnetic force distribution on a pair of superconducting bulk magnets

We study the construction of superconducting permanent magnets by RE123 bulk materials and the investigation of these industrial applications such as a magnetic separation. A bulk magnet can generate strong magnetic fields exceeding 2 T, which is the limit of ordinary iron-cored electromagnets, in a compact device with a low running cost. A magnetic field distribution of the bulk magnet is a cone shape, and it contributes to an increase of magnetic force which is proportional to the product of a magnetic field and its gradient. It is important to evaluate magnetic force when the application of the bulk magnet is discussed. In this paper, two Gd123 bulk materials of 65 mm in diameter were magnetized using a pair of superconducting bulk magnet system and three-axis components of magnetic flux density (B_x,⋅B_y, and B_z) in an open space between the magnetic poles were scanned with pitch of 2 mm in each direction. From these measured data, the axial and radial components of magnetic force factor, B_z⋅dB_z/dz and B_r⋅dB_r/dr, were calculated. At 10 mm gap, the B_z⋅dB_z/dz value reached 180.6 T²/m for a field of 2.33 T, which is comparable to B_z = 6.76 T for a common 10 T–100 mm∅ superconducting magnet.     

添加Dy在快淬NdFeB永磁体中的作用

在之前研究Nb元素的添加对快淬(Nd,Dy)_11.5Fe_82.4-mNb_mB_6.1永磁体磁性能、温度特性及显微组织影响的基础上,进一步研究了Dy元素在Nd_11.5-nDy_nFe_81.4Nb₁B_6.1 (n＝0,0.5,1,1.5,2)永磁体中 关键词： NdFeB 磁性能 温度特性 显微组织 X-ray absorption fine structure     

Electronic structures and magnetoelectric properties of tetragonal BaFeO3: an ab initio density functional theory study

First-principles calculations have been performed to investigate the ground state electronic properties of BaFeO₃ (BFO). Local spin density approximation (LSDA) plus U (LSDA+U) treatment modified the metallic behaviour to insulated one with a band gap of 4.12eV. The spontaneous polarization was found to be 89.3\muC/cm² with Berry phase scheme in terms of the modern theory of polarization. Fe-3d e_g were split into two singlet states (d_z² and d _x²-y²}), and Fe-3d t_2g were split into one doublet states(d_xz and d_yz) and one singlet states(d_xy) after Fe and O displaced along the c axis. Meanwhile the occupation numbers of d_z², d_yz, d_xz and O_T p_z (on the top of Fe) were increased at the expense of those in xy plane. Our results showed that it was the sensitivity of hybridization to ferroelectric distortions, not just the total change of hybridization, that produced the possibility of ferroelectricity. Moreover, the increasing occupation numbers of O_T p_z and Fe d_z² favoured the 180^o coupling between Fe-3d e_g and Fe-3d t_2g, leading to ferromagnetic ordering, which has been confirmed by the increase of magnetic moment by 0.13μ_B per formula unit in the polarized direction. Hence, the magnetization can be altered by the reversal of external electric field.     

液态结构与性质关系Ⅲ——剩余键理论模型

利用剩余键的思想, 通过数学推导, 建立定量描述金属熔体结构与黏度关系的物理模型, 提出黏度的微观结构变化特性为熔体剩余键结构尺寸d的演变; 应用建立的模型理论计算液相线以上一定温区镁熔体和铝熔体的运动黏度, 得到函数关系式分别为v_Mg=3.17×10^-7+3.04×10^-7· d和v_Al=1.65×10^-7+1.05×10^-7·d, 这与采用坩埚扭摆振动法的实验测量结果相符合. 该模型从化学结合键角度揭 示了金属熔体的结构微观不均匀性及其黏度的微观物理本质, 为金属熔体黏度的理论计算提供了一种新的途径. 这对于深入认识液态金属的微观结构及其与宏观物性之间的关系具有重要意义.     

Collective Grain Interactions II. Non‐linear Collective Drag Force

It is found that the collective effects operating at large distances from the grain surface can produce substantial scattering of the ion flux and create an additional collective drag force dominant for large grain densities. The consideration is restricted to large grain charges β = Z_de ²a /T_iλ_Di ? 1 and T_i /T_e ? 1 (–eZ_d being the grain charge in units of electron charge, a being the grain size, λ_Di being the ion Debye radius and T_e,i being electron and ion temperatures, respectively). For present dusty plasma experiments β ≈ 10–50, the large charges of grains are screened non‐linearly and the ion scattering creates non‐linear drag force. The present investigation considers effects of scattering by collective grain fields at large distances from the grains. It is found that the physical reason of the importance of collective drag force, calculated in this paper, is related to presence of weakly screened collective field of grains outside the non‐linear screening distance depending on grain densities. The amplitude of this collective fields of the grains is determined by non‐linear screening at non‐linear screening radius. It is shown that for dust densities of present experiments the collective drag force related to this scattering can be of the order of the non‐linear drag force caused by scattering inside the non‐linear screening radius or even larger. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and superconducting properties of bscco including precipitates with high density

Bi₂Sr₂Ca₁Cu₂O _y (2212) superconductors including normal particles with high density were synthesized by a melt process, and the temperature and magnetic field dependence of the critical current density was estimated from the magnetization hysteresis. The temperature dependence of the irreversibility field, B_r, was expressed as (1-T/T_c)^3/2 above 50 K, and became weak below 50 K as compared with that in the single-crystalline (2212). The B_r, in the magnetic field parallel to the c-axis was about one order of magnitude lower than in a magnetic field normal to the c-axis.     

液态结构与性质关系Ⅱ——Mg-9Al熔体的运动黏度及与熔体微观结构的关系

采用坩埚扭摆振动法测量Mg-9Al熔体的运动黏度,得到890—1190 K温区内高精度的黏度-温度关系曲线ν(T),发现升温过程中黏度随温度升高发生异常变化,当温度升高至1000—1075 K时,黏度由快速增大转变为逐渐减小,即发生转折变化;在随后的降温和第二次升温过程中,黏度随温度变化呈指数规律单调递增(减),符合Arrhenius方程式.在实验研究基础上,采用剩余键结构模型和"平均原子集团"演变行为的计算模型讨论Mg-9Al熔体的黏度与微观结构之间的相关性,结果表明:类关键词： 合金熔体 结构与黏度相关性 剩余键结构 平均原子集团模型