最短轨道凝聚模型的相变

应用重整化群计算最短轨道模型的生长几率分布{P_α,i}及其构型权重C_α(2×2原胞和3×3原胞),从而得出多分形热力学的配分函数Z(q,L),自由能F(q,L),能量E(q,L),比热c(q,L)和广义维数D_q,结果表明该模型在q=q_c≈0处发生相变,即当q < q_c时,生长几率分布{P_α,i}不具有多分形性质。     

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。     

La1-xCaxMnO3(x≤1/3)中Ca掺杂的团簇化及其稳定性

运用原子模拟技术考察了La_1-xCa_xMnO₃(x≤1/3)中Ca的分布,发现低温下掺杂的Ca离子倾向于团簇化分布,形成纳米尺度的团簇.对加压和温度下团簇的稳定性也进行了研究,发现这种团簇在3 GPa和120 K下是稳定的.这种化学相分离可能是造成La_1-xCa_xMnO₃中结构和电磁性质不均匀的原因之一. 关键词： 原子模拟技术 锰氧化物 团簇 相分离     

基于幂次相互作用的二维磁性团簇耦合能研究

在扩散限制凝聚模型基础上,采用Monte Carlo方法模拟了磁耦合作用随粒子间距离幂次变化的磁性粒子动力学凝聚过程.重点研究了在不同幂指数α值下团簇在生长过程中,即随着粒子数N的增加,团簇平均耦合能E_c(N)的演化过程.模拟结果表明:对于α≥5时,E_c(N)随着粒子数N的增加变化较小;当α=2时,E关键词： 扩散限制凝聚模型 幂次相互作用 耦合能     

FeBN(N≤6)团簇的结构与磁性

利用密度泛函理论中的广义梯度近似(GGA)，在考虑自旋多重度后，预测了FeB_N(N≤6)团簇的基态结构.结果表明基态团簇的自旋多重度分别为4，3，2，1，2和1，其中FeB₄团簇比较稳定.同时对FeB_N(N≤6)基态团簇的磁性做了系统地研究，发现除了FeB₅团簇外，FeB_N(N≤6)团簇的总磁矩和Fe原子磁矩随团簇尺寸的增大而减小. 关键词： N团簇')" href="#">FeB_N团簇 自旋多重度 磁矩     

第一性原理对GenB(n=12—19)团簇的最低能量结构及其电子性质的研究

利用第一性原理在广义梯度近似下，研究了Ge_nB(n=12—19)团簇的结构和电子性质. 结果表明：Ge_nB(n=12—19)团簇具有较大的能隙;这些团簇的最低能量结构包含有Ge₉或Ge₁₀结构单元；B原子嵌套在Ge_n团簇中和B原子替代Ge_n+1团簇的Ge原子是构成Ge_{n 关键词： n}B团簇')" href="#">Ge_nB团簇 最低能量结构 电子性质     

第一性原理对XMgn(X=B,Al, n=1—12)团簇的几何结构和电子性质的研究

利用密度泛函理论(DFT)的B3PW91方法,在6-311G水平上对BMg_n,AlMg_n(n=1—12)团簇进行了几何结构优化和电子性质分析. 发现随着原子个数的增加, B原子进入镁团簇的内部, 而AlMg_n和镁团簇有相似的生长模式. B,Al原子的掺杂均能使镁团簇的平均结合能增大,稳定性增强, BMg_n,AlMg_n关键词： 密度泛函理论 最低能量结构 n和AlMg_n团簇')" href="#">BMg_n和AlMg_n团簇 NBO电荷布居     

AlAs相变及热动力学性质的第一性原理研究

利用基于密度泛函理论的全势能线性糕模轨函法研究了闪锌矿（B3）,NiAs（B8）和岩盐（B1）结构的AlAs的相变、结构性质以及热动力学性质.对B3-B8和B3-B1结构的能量体积曲线做公切线,得到了B3→B8相变压力为5.44 GPa,并预测到B3→B1相变压力为6.46 GPa.同时计算了高压下B8相的结构性质,结果显示当V/V₀≈0.7—1.05时,c/a基本保持恒定（仅有约 0.2%的波动）;当V/V₀≈0.4—0.7,c/a随着V/V₀的减小而近似线性地增大.通过状态方程拟合,得到了AlAs的相对体积V/V₀与压强P的函数关系,B8相的状态方程与实验结果符合很好.最后利用准谐德拜模型得到了AlAs的体弹模量B随压力P的变化关系以及不同压强下热容C_V与温度T的关系. 关键词： 相变 热力学性质 第一性原理     

强梯度磁场下金属熔体中析出相晶粒迁移的动力学研究

建立了梯度磁场下金属熔体中晶粒迁移的一般动力学模型，导出了磁场对导电熔体黏度的影响规律，得到了迁移速度的解析解和迁移距离的分析解.导电熔体的有效黏度随磁场强度的平方成线性递增关系.迁移速度达到终极速度的时间为10^-3s数量级.终极速度随着磁场强度的增加而迅速减小，表明强磁场对晶粒迁移有抑制作用.迁移距离和迁移率与磁场分布密切相关.为观察初晶硅的迁移状况，将Al-18wt%Si合金在650℃保温60min后，施加强梯度磁场（B_z=5 T，B_zdB_z/dz=-224T²·m^-1）对熔体作用不同时间并淬火，结果表明，晶粒半径大于等于40μm的初晶硅在120s内大部分完成迁移，与理论计算符合. 关键词： 强梯度磁场 析出相 迁移 刚体动力学     

Deposition temperature dependence of the optical properties of a---Ge

The room temperature u.v. reflectance of 1000 Å Germanium films (evaporated onto smooth amorphous substrates) has been measured and observed to vary with substrate deposition temperature T_s. Changes with increasing T_s are ascribed to gradual elimination of highly anisotropic voids for T_s 160°C, and to gradual film crystallization for T_s 200°C.     

Anomalous magnetic behavior of the Co0.53Ga0.47 spin glass above the freezing temperature

We present here the detailed analysis of the magnetic behavior of the Co_0.53Ga_0.47 alloy, especially at temperatures above the freezing temperature T_f = 10 K. Low field static magnetization measurements were performed by using the SQUID magnetometer in the temperature range 5–65 K and magnetic fields up to 100 Oe. The temperature dependence of the field cooled susceptibility π_FC(T) at T > T_f has an anomaly, which is displayed in the double change of the curvature near T_s = 24 K. The data of magnetization M_FC in an external field H lie on a universal curve M_FC(H/T) at temperatures T_f < T < T_s. The plots of π^-1_FC(T) and non-linear magnetic susceptibility π^nl_FC(T^-3) are linear lines in the temperature range T_f−T_s. The strong deviation of π^-1_FC(T) and π^nl_FC(T^-3) from straight line, taking place at T T_s, indicates that T_s is an upper temperature limit of the classical superparamagnetic behavior with the constant cluster moment. The results suggest that such phenomena may be fairly universal for spin glasses.     

Fractal Aggregation Under Rotation

By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω; thefractal dimension decreases with increasing ω;, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.     

Influence of high magnetic fields on the low temperature heat capacity of the itinerant electron ferromagnet Sc3In

The low temperature (1.3–20 K) heat capacity of the weak itinerant electron ferromagnet Sc₃In was measured in magnetic fields up to 10 T. The measurements were made on three different samples containing 24.1, 24.3 and 24.4 at.% In with Curie temperatures at H = 0 of 5.5, 6.0 and 6.3 K, respectively. The heat capacity peak at T_c becomes smaller with increasing fields and at 9.98 T the magnetic entropies are only 11 to 19% of the zero field value. Above T_c the spin fluctuation contribution to heat capacity, which is enhanced by the magnetic field at low fields (<≈ 5 T), is quenched at high fields ( ≈ 5 T). Our results show that the spin fluctuations in Sc₃In are almost completely quenched by the magnetic fields of ≈ 10 T, and that the characteristics spin fluctuation temperature, T_s, of this itinerant electron ferromagnet is about the same as T_c.     

General equation describing viscosity of metallic melts under horizontal magnetic field

Viscosities of pure Ga, Ga_(80)Ni_(20), and Ga_(80)Cr_(20) metallic melts under a horizontal magnetic field were investigated by a torsional oscillation viscometer. A mathematical physical model was established to quantitatively describe the viscosity of single and binary metallic melts under a horizontal magnetic field. The relationship between the viscosity and the electrical resistivity under the horizontal magnetic field was studied, which can be described as η_B = η +(2H/πΩ)B~2(η_B is the viscosity under the horizontal magnetic field, η is the viscosity without the magnetic field, H is the height of the sample,? is the electrical resistivity, and B is the intensity of magnetic field). The viscosity under the horizontal magnetic field is proportional to the square of the intensity of the magnetic field, which is in very good agreement with the experimental results. In addition, the proportionality coefficient of ηB and quadratic B, which is related to the electrical resistivity,conforms to the law established that increasing the temperature of the completely mixed melts is accompanied by an increase of the electrical resistivity. We can predict the viscosity of metallic melts under magnetic field by measuring the electrical resistivity based on our equation, and vice versa. This discovery is important for understanding condensed-matter physics under external magnetic field.     

Understanding DsJ(2317)

We analyze the hadronic and radiative decay modes of the recently observed D_sJ(2317) meson, in the hypothesis that it can be identified with the scalar state of spectrum (D_s0). The method is based on heavy quark symmetries and vector meson dominance ansatz. We find that the hadronic isospin violating mode D_s0→D_sπ⁰ is enhanced with respect to the radiative mode D_s0→D_s^*γ. The estimated width of the meson is Γ(D_s0)7 keV.     

Magnetic phase transition in (Fe,Mn)65Ni35 alloys

Magnetization measurements on the Fe₆₀Mn₅Ni₃₅ and Fe₅₀Mn₁₅Ni₃₅ alloy samples were carried out in the temperature range 80T300 K and in magnetic fields up to 8 kOe. The Fe₆₀Mn₅Ni₃₅ was found to order ferromagnetically with a Curie temperature, T_c, above 300 K. From the temperature dependence of the spontaneous magnetization, M_s, it was concluded that the magnetic behavior of Fe₆₀Mn₅Ni₃₅ follows Wohlfarth theory of weak itinerant ferromagnet. The Fe₅₀Mn₁₅Ni₃₅ sample exhibits a magnetic phase transition from ferromagnetism to paramagnetism at T_c=242 K. The critical amplitudes and critical exponents (β, γ and δ) have been determined by using Arrott plots, Kouvel–Fisher method and scaling plots of the reduced magnetization and reduced magnetic field. The values of β, γ and δ are discussed and compared with the results obtained for various theoretical models and also with the experimentally determined values for related systems obtained by others.     

Simulations of migration, fragmentation and coalescence of non-wetting fluids in porous media

A model based on invasion percolation was used to simulate the migration on a non-wetting fluid through a porous medium filled with an immiscible wetting fluid under the influence of a gradient such as that provided by gravity. The migrating fluid clusters undergo both fragmentation and coalescence. The fragment size distribution obtained from two-dimensional simulations in which the gradient g is slowly increased from 0 can be represented by the scaling form N_s(g)s^-2ƒ(s|g|^-z where z=1+(D−1)ν(ν+1). Here D is the fractal dimensionality of invasion percolation, with trapping, and ν is the ordinary percolation correlation length exponent.     

频率对半导体器件热击穿影响的理论模型

针对半导体器件中的热击穿,通过分析已有的理论模型,把频率对器件热区热产生和热传导的影响引入理论模型.利用格林函数求解热传输方程,同时对余误差函数进行近似处理,求解得到热区温度以及器件烧毁功率与频率和脉冲宽度的表达式.通过数值分析,求解得到不同频率下器件烧毁功率随脉冲宽度的变化规律以及不同脉冲宽度下器件烧毁功率随频率的变化规律,同时给出了频率对器件烧毁功率影响的物理解释.     

A contribution to the invar problem by hyperfine field distribution analyses

The Mössbauer spectra of Invar type Fe₆₅(Ni_1-xMn_x)₃₅ alloys (0 x 0.3) were analyzed to yield hyperfine field distribution (P(H)) curve. The P(H) curves of the alloy with x = 0, that is the “classical” Invar alloy, at 4.2 K is character ized by a relatively sharp main peak at 350 kOe and a weak low field component around 50 kOe. With increasing x, the low field component grows and the high field main peak spreads toward a low field. By raising temperature, the main peak exhibits a remarkable broadening as well as a decrease in the average internal field and a growth of the low field component has not been detected. On the basis of these observations, models of the Invar alloy so far proposed are discussed.