色散方程的一类具任意稳定性的显格式

本文对色散方程u_r=au_xxx构造了一类中间层包含四个结点,带两个参数m和θ的三层显式差分格式。当m和θ满足一定的关系时,其稳定性条件为|γ|≤(m+1)/(4(m-1))(|m|>1),从而当取m充分接近1时,可得到任意大的稳定性条件,并且保持截断误差阶不变。数值例子验证了理论分析的结果。     

模M之m阶单位根的计数与确定

要根据[1]中给出的MCS序列x_n≡αx_n-1(modM)具有周期m的充要条件,确定其相应全部参数α,可归结为模M之m阶单位根的计数与确定问题,而此问题对一般复合模M至今未见解决。本文解决了这个问题,从而也解决了MCS序列具有周期m的全部参数α的计数和确定问题。     

电网在三种边攻击方式下的级联失效

研究美国西部电网在三种边攻击方式下级联失效差异性.定义边ij的初始负载为(k_ik_j)^θ,k_i,k_j分别表示节点i和j的度,θ为一可调参数.三种边攻击方式分别为:最小负载边攻击方式(LL)、最大负载边攻击方式(HL)和容量比最小边攻击方式(SPC).通过分析电网的拓扑结构,研究三种攻击方式级联失效差异性.研究表明:HL和LL攻击方式下,受攻击边的范围不随θ而改变,HL的攻击效果随θ的增大而增强,LL的攻击效果随θ的增大而减弱.而SPC法选中的被攻击边随θ变化,当θ取值较小时,SPC攻击边是拓扑结构较特殊的一种最小负载边,随着θ的增大,SPC攻击边趋向于高负载边,因此θ较小时,SPC的攻击效果和LL接近,当θ较大时,SPC的攻击效果和HL接近.     

环二硅氨烷的29Si和13C NMR研究

本文报道了十种环二硅氨烷衍生物(R₁=Me、ф;R₂=Me、ф1 R₃=Me;X=Me、ф、OH、OSiMe₃、H和cl)及与此有关的九种聚合物m+n(m=2,3,4,7,10)的²⁹Si和¹³C化学位移,讨论了取代基X、R₁、R₂及硅氧链节数m对化学位移的影响。通过考察化学位移随R₁、R₂的变化,推断环二硅氨烷中N与其周围的三个Si之间存在(p→d)π相互作用。     

一端附壁高分子链的Monte Carlo研究

采用简立方格点上的Monte Carlo模拟,研究一端被无限大不可穿透平面壁吸附的高分子链的均方末端距<R²>,以及高分子链的质量中心到平面吸附壁的平均距离<Z>,与链长N、参数u(u=e^-ε/kT,ε是链骨架原子间的相互作用能量,k是玻耳兹曼常数,T是热力学温度)的关系。结果表明:<R²>和<Z>都服从标度律,<R²>=αN^γ,<Z>=βN^η,其中,γ、η、α、β都是u的函数;u从1减小到0.5,则γ从1.01增大到1.19,η从0.51增大到0.60.     

非对称量子点中磁极化子性质的磁场和温度依赖性

采用Tokuda线性组合算符法和Lee-Low-Pines变换法,研究了温度和磁场对非对称抛物量子点中强耦合磁极化子性质的影响,简捷地得到了作为量子点的横向受限强度ω₁、纵向受限强度ω₂、电子-声子耦合强度α、外磁场的回旋频率ω_c和温度参数γ的函数的磁极化子的振动频率λ、基态能量E₀和有效质量m 关键词： 非对称量子点 强耦合磁极化子 磁场和温度依赖性     

二项-负二项组合光场态的光子统计性质及其在量子扩散通道中的生成

在组合二项-负二项分布的基础上, 提出了二项-负二项组合光场态, 这种态能在Fock态历经量子扩散通道的过程中实现. 导出了此光场的二阶相干度公式, g⁽²⁾(t) =2-((m²+m)/(m+κt²)), 发现随着时间的推移光场从非经典Fock态变为经典态, 光子数m 经扩散通道后变成了 m+κt, κ是扩散常数, 相应的光子统计从亚泊松分布历经泊松分布再变成混沌光; 初始Fock态的光子数越多, 则扩散所需的时间越长.     

光解苯半醌自由基的CIDEP谱

用高时间分辨ESR谱仪实验给出了光解对苯醌产生的苯半醌自由基的CIDEP发射谱.用三重态机理,同时考虑了自由基对机理的影响,从理论上分析了极化强度,计算出了增强因子V(Ⅰ)=-0.66,V(R)=0.2,一级反应速率k_1,A=0.05/μs,二级反应速率β=0.02/μs,横向和纵向弛豫时间T₁≈T₂=2.3μs.     

4pi聚焦系统中振幅和相位调制的径向偏振涡旋光束聚焦特性的研究

基于Richards-Wolf矢量衍射积分公式, 研究了径向偏振涡旋光束在振幅和相位调制下的4pi聚焦特性.振幅调制是通过振幅滤波实现, 即改变入射光束起始积分值达到调节,相位调制是通过添加相位延迟角δ 的液晶相位延迟器来改变入射光束的偏振态.模拟结果显示,随着振幅的减小, 4pi聚焦系统焦点附近的光轴上呈现出多光球结构; 而相位调制对焦点附近的光强分布产生拉伸作用, 即调节入射光束的拓扑核m和相位延迟器的延迟角δ,可以得到特殊的光强分布. 随着相位δ增大, m=0产生的多光球结构慢慢向光链结构转变,最终变成暗通道;而m=1产生的光链结构慢慢变成光球结构; m=2产生的暗通道变成光球和光链叠加的结构, 这种特殊聚焦光束在光学微操纵领域具有潜在的应用价值. 关键词： 物理光学 偏振 光链 4pi聚焦系统     

截断部分相干厄米-高斯光束的广义M2G因子

基于广义截断二阶矩法,推导出了截断部分相干厄米-高斯(H-G)光束的广义M²_G因子的解析表达式. 截断完全相干H-G光束、截断高斯谢尔模型(GSM)光束以及截断高斯光束可以做为本文结果的特例给出. 研究表明:截断部分相干H-G光束的广义M²_G因子与截断参数δ,模阶数m以及相干参数α有关. 当δ非常小时,M^{2关键词： 截断部分相干厄米高斯光束 M2_G因子')" href="#">广义M2_G因子 广义截断二阶矩法}     

Viscometric Studies of Interactions between Hydrophobically Modified Acrylamide Copolymer and Poly(N-isopropylacrylamide) in Dilute Solutions

The viscosity behavior of the dilute aqueous solutions of hydrophobically modified acrylamide copolymer (HMPAM) and poly(N-isopropylacrylamide) (PNIPAM) was investigated. A negative deviation of reduced viscosity of HMPAM + PNIPAM from the theoretical values was observed. Both a conventional viscometry method and a method using an aqueous solution of one polymer as the solvent for the other polymer were used to clarify the mechanism behind the observed viscosity behavior. With the conventional method, the theoretical predictions obtained by the Δb (or α) criterion are contradictory to the experimental results and cannot be applied to describe the interaction between HMPAM and PNIPAM, where Δb is the difference of experimental interspecific interaction coefficient b_m and theoretical b_m,i and α is the difference of experimental Huggins coefficient k_m and theoretical k_m,i. The change of Δ[η]/[η]_i suggests that there is only an attractive interaction between HMPAM and PNIPAM, where Δ[η] is the difference of experimental intrinsic viscosity [η]_m and theoretical [η]_i. Results from the method using an aqueous solution of one polymer as the solvent for the other polymer confirmed the attractive interaction between HMPAM and PNIPAM and indicated that the attachment of the PNIPAM molecules to the hydrophobic groups in HMPAM can disrupt both the initial intra- and intermolecular associations between HMPAM chains simultaneously. The disruption of the original intramolecular association of HMPAM leads to an increase in the intrinsic viscosity [η], while the disruption of the original intermolecular association of HMPAM yields a negative deviation of the reduced viscosity.     

Geometry,strength of binding and Br2 charge redistribution in the complex OC ··· Br2 determined by rotational spectroscopy

The ground-state rotational spectra of the six isotopomers ¹⁶O¹²C ··· ⁷⁹Br⁷⁹Br, ¹⁶O¹²C ··· ⁸¹Br⁷⁹Br, ¹⁶O¹²C ··· ⁸¹Br⁸¹Br, ¹⁶O¹²C ··· ⁷⁹Br⁸¹Br, ¹⁶O¹³C ··· ⁷⁹Br⁷⁹Br, ¹⁶O¹³C ··· ⁸¹Br⁷⁹Br, were observed by pulsed-nozzle, Fourier-transform microwave spectroscopy. The spectroscopic constants B _O, D _J, χ _aa (Br_i), χ _aa (Br_o), M_bb (Br_i) and M _bb (Br_o), where i = inner and o = outer, were determined for each isotopomer. The complex is linear, with the weak bond between the C atom of CO and Br_i. The rotational constants were used to determine the distance r(C ··· Br_i) = 3.1058Å and to show that the Br—Br bond lengthens by ～0.005–0.01Å on complex formation. The intermolecular stretching force constant kσ = 5.0 Nm^?1 was obtained from D_J and the Br nuclear quadrupole coupling constants were interpreted to reveal that a fraction δ = 0.02 of an electronic charge is transferred from Br_i to Br_o when Br₂ is subsumed into the complex. Properties of the two series OC ··· XY and H₃N ··· XY, where XY = C1₂, Br₂ and BrC1, are compared.     

Substituent effects on gas‐phase homolytic Fe–N bond energies of m‐G‐C6H4NHFe(CO)2(η5‐C5H5) and m‐G‐C6H4N(COMe)Fe(CO)2(η5‐C5H5) studied using density functional theory methods

One of the most fundamental properties in chemistry is the bond dissociation energy, the energy required to break a specific bond of a molecule. In this paper, the Fe–N homolytic bond dissociation energies [ΔH_homo(Fe–N)'s] of 2 series of (meta‐substituted anilinyl)dicarbonyl(η⁵‐cyclopentadienyl) iron [m‐G‐C₆H₄NHFp ( 1 )] and (meta‐substituted α‐acetylanilinyl)dicarbonyl(η⁵‐cyclopentadienyl) iron [m‐G‐C₆H₄N(COMe)Fp ( 2 )] were studied using density functional theory methods with large basis sets. In this study, Fp is (η⁵‐C₅H₅)Fe(CO)₂, and G is NO₂, CN, COMe, CO₂Me, CF₃, Br, Cl, F, H, Me, MeO, and NMe₂. The results show that Tao‐Perdew‐Staroverov‐Scuseria, Minnesota 2006, and Becke's power‐series ansatz from 1997 with dispersion corrections functionals can provide the best price/performance ratio and accurate predictions of ΔH_homo(Fe–N)'s. The ΔΔH_homo(Fe–N)'s ( 1 and 2 ) conform to the captodative principle. The polar effects of the meta‐substituents show the dominant role to the magnitudes of ΔΔH_homo(Fe–N)'s. σ_α· and σ_c· values for meta‐substituents are all related to polar effects. Spin‐delocalization effects of the meta‐substituents in ΔΔH_homo(Fe–N)'s are small but not necessarily zero. RE plays an important role in determining the net substituent effects on ΔH_homo(Fe–N)'s. Insight from this work may help the design of more effective catalytic processes.     

Light Quark Hadron Mass Scale

With a symmetry procedure based on Noether's theorem, the field equation of motion is obtained from the Dirac Hamiltonian H(D_μ) of a massless quark interacting with a gluon. The equation of motion is the Yang-Mills equation with external current which is spin-dependent and follows from the group algebra. In addition to the pure gauge solution we find a gauge covariant solution which follows from current conservation and sets the mass scale m₀/M = g². This gluon field is due to the density of dipole moments squared and represents four harmonic oscillators with quadratic constraints; the gluon can be written as a string potential or as a 1/x potential with a sharp cutoff. The chiral symmetry group G^spin × G^D gives the light quark hadron degenerate multiplet mass spectrum in terms of m₀[SU(2) × SU(2)] with the spinorial decomposition and the multipole breaks into dipoles. Scaling from atomic lengths it is found that g = em₀/nM for light quarks is the quark charge e/3 renormalized by m₀/M and g is magnetic. Thus quarks occur at the ends of spinning magnetic strings with dipole lengths ∼m₀⁻¹. The mass scale is that of a degenerate magnetic multipole with charge n = 3, 4… .     

A synchrotron study of high-pressure transformations in TiH0·74

Abstract

The crystal structure of the TiH_0·74 alloy was studied by the energy dispersive X-ray diffraction technique in the pressure range to 30·5 GPa at temperatures to 630 K. A phase transformation to the (η + ω) two-phase state was found to occur above 7 GPa at room temperature, then (η+ω)-TiH_0·74 remained stable up to P=30·5 GPa. Another phase transformation resulting in a single-phase state, ζ-TiH_0·74, was found to occur upon heating (η+ω)-TiH_0·74 above T ? 560 K. Both high-pressure phases, η and ζ, were indexed on the basis of the tetragonal sublattices of the Ti atoms with nearly the same specific volumes. It is assumed from the relation of the specific volumes that the hydrogen atoms occupy the tetrahedral interstices in the ζ-phase and the octahedral interstices in the η-phase.     

Crystal structure of N-m-tolyl phthalimide

N-m-tolyl phthalimide, C₁₅NO₂H₁₁ crystallizes in the space group Cc with unit cell dimensions,a=8·54(1),b=19·89(2),c = 7·59(1)A, β=114·53(1)° andZ=4.V=1173(2)A³,D _m =1·35(1),D _c = 1·344 mg.m⁻³,M _r =237 λCoK_a=1·7903A. The structure was solved byMULTAN and refined to an R-factor of 0·116 for 632 counter reflections. The molecules are held together by van der Waal’s forces. The angle between the tolyl plane and the plane through the phthalimide group is 53·4(4)°. Contribution No. 607.     

Ni-15%Mo合金熔体热物理性质的Monte Carlo模拟

采用EAM势对6×6×6的Ni-15%Mo合金熔体进行Monte Carlo模拟,通过对不同温度下获得的NVT系统的平衡态统计分析得出Ni-15%Mo合金熔体在过冷态和过热态时的热物理性质.通过构造系统生成新表面,表面张力做功使系统能量发生改变,从而得到液态表面张力的模拟结果.Ni-15%Mo合金熔体的表面张力在1500—2000 K的温度范围内,随温度的变化规律为σ=1.918-1.130×10^-3（T-T_m） N/m 关键词： Monte Carlo模拟 表面张力 比热 Ni-15%Mo合金     

Fast and slow lifetime degradation in boron‐doped Czochralski silicon described by a single defect

A demonstration that boron–oxygen related degradation in boron‐doped Czochralski silicon could be caused by a single defect with two trap energy levels is presented. In this work, the same two‐level defect can describe the fast and slow lifetime decay with a capture cross‐section ratio of electrons and holes for the donor level of σ_n/σ_p = 19 ± 4. A model is proposed for the multi‐stage degradation involving a single defect, in which the product of the slow reaction is a reactant in the fast reaction. After thermal processing, a population of interstitial oxygen (O_i) exists in a certain state (the precursor state) that can rapidly form defects (fast degradation) and another population of O_i exists in a state that is required to undergo a slow transformation into the precursor state before defect formation can proceed (slow degradation). Kinetic modelling is able to adequately reproduce the multi‐stage degradation for experimental data. Dark annealing is also shown to impact the extent of ‘fast’ degradation. By decreasing the dark annealing time on pre‐degraded wafers, a more severe ‘fast’ degradation of the samples can be enabled during subsequent illumination, consistent with this theory. The paper then discusses possible candidates for the chemical species involved. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Measurement of magnetostriction and anisotropy of Mg-ferrite

The magnetostriction constants λ₁₀₀ and λ₁₁₁ and the anisotropy constant K₁ of Mg-ferrites [Mg_η;Fe_1?η][Mg_1?ηFe_1+η]O₄, (η = 0·101, 0·154, 0·184, 0·219) at room temperature, liquid N₂ temperature and liquid He temperature were observed by ferrimagnetic resonance techniques at 9·5 GHz.The signs of the magnetostriction constants λ₁₀₀ and λ₁₁₁ are always negative and positive, respectively and the magnitudes of these constants increase with decreasing temperature. These constants λ₁₀₀ and λ₁₁₁ at liquid He temperature are found to be ? 14·4 × 10^?6 and 2·4 × 10^?6 respectively, when η is 0·101, and then the magnitudes of those constants decrease linearly with increasing η.     

Chiral SU(4) × SU(4) breaking: masses and decay constants of charmed hadrons

The (4, 4*) ⊕ (4*, 4) model of broken chiral SU (4) × SU (4) symmetry has been used to calculate the third-order coupling constants involving charmed and ordinary pseudoscalar mesons. These coupling constants are exploited to derive some interesting new relations among the masses and decay constants of these charmed particles. Using the known masses and decay constants as inputs, we exploit these relations to predict:F _D = −1·41F _π ,F _F = −1·13F _π ,F _D/F_F = 1·25,m(D _s) = 1·43 GeV,m(F _s) = 1·39 GeV andm(K _s) = 1·02 GeV.