(Ba_(1-x)K_x)BiO_3电子结构与超导电性

用第一原理的ＬＤＦ-ＬＭＴＯ-ＡＳＡ超元胞法，模拟由Ｘ射线吸收谱精细结构测定的ＢａＢｉＯ_３中，Ｂｉ有两种价态Ｂｉ^３＋和Ｂｉ^5＋及与之相应的两种不同键长的Ｂｉ—Ｏ八面体，以及Ｋ掺杂对晶体结构的影响．计算了Ｂａ₄Ｂｉ₄Ｏ₁₂，（Ｂａ_３Ｋ）Ｂｉ₄Ｏ₁₂，（ＢａＫ）Ｂｉ₂Ｏ₆，（ＢａＫ_３）Ｂｉ₄Ｏ₁₂，Ｋ₂Ｂｉ₂Ｏ₆（简记为（４０４），（３１４），（１１２），（１３４），（０２２））五种“样本”的电子结构．结果表明，（４０４）和（３１４）分别为Ｅ_g＝１.６ｅＶ及Ｅ_g＝１.５ｅＶ的半导体，其它“样本”为金属．总能的分析表明（１３４）是不稳定的，故溶解极限为ｘ＝０.５．以“取样”方式按伯努利分布确定任意组分各“样本”的概率，进而计算了（Ｂａ_1-xＫ_x）ＢｉＯ_３电子结构随组分的变化．最后用逾渗模型说明了超导转变温度Ｔ_c在ｘ＝０．２５附近的突变 关键词：     

一维点阵局域势中玻色系统的相图

利用高斯波泛函方法，研究了处于一维点阵局域势cos［β（ｎR）］中的玻色系统基态的相变行为．研究结果表明，一维点阵局域势系统的稳定性取决于参量γ＝β₂/4π和重整化质量μ．在不同的参量区域，μ有不同的多值性，从而在参量空间中划出相区．γ＝γ₁时，相界随杂质浓度c而定，c趋于零时，与单杂质模型的结论相符，γ₂相界与连续模型的结论相符． 关键词：     

一种具有铁磁与反铁磁相互作用Ising模型的热力学性质

对最近邻自旋间具有反铁磁相互作用Ｊ_s，相隔偶数个自旋间又具有指数型长程铁磁相互作用Ｊ₁的一维Ｉｓｉｎｇ模型，利用积分方程的方法得出内能和比热的解析表达式。在Ｊ₁＝１，Ｊ_s分别为０．０５，０．１和０．３的条件下，作出零场时的内能和比热随温度参量变化的图形，并指出其相变临界点。在Ｊ₁＝１，Ｊ_s＝０．１的条件下，作出外磁场变化对内能和比热的影响图。鉴于系统在低温、零场或弱场以及较弱 关键词：     

混合交通流时间序列的去趋势波动分析

应用去趋势波动分析法研究交通流时间序列的复杂性,探讨了混合交通流时间序列演变行为的标度指数.根据标度指数的变化特征,进而揭示交通流时间序列所具有的长程相关性和短程相关性.通过分析发现,存在一密度ρ,当ρ₁<ρ<ρ₂时,交通流时间序列具有长程相关性;而当ρ<ρ₁或ρ>ρ₂时,交通流时间序列具有短程相关性,即密度的变化影响着标度指数的变化.另外分析了在不同慢车比率条件下时间序列的标度指数,发现慢车比率的变化 关键词： 混合交通流 去趋势波动分析 时间序列 长程相关     

Sm2(Fe,M)17C1.5(M=Ga,Si)化合物的形成和磁性

用电弧炉熔炼方法制备了Ｓｍ₂Ｆｅ_17-xＭ_xＣ_1.5（Ｍ＝Ｇａ，Ｓｉ）化合物，研究了它们的形成、结构与磁性。实验结果表明，用Ｇａ替代Ｆｅ，当２≤ｘ≤６时，可形成Ｔｈ₂Ｚｎ₁₇型单相化合物，而Ｓｉ的替代仅在ｘ＝２时为单相结构。居里温度随Ｇａ含量的增加从ｘ＝２时的６３３Ｋ下降到ｘ＝６时的３５１Ｋ，Ｓｍ₂Ｆｅ₁₅Ｓｉ₂关键词：     

含崩塌概率的一维沙堆模型的自组织临界性

提出了一个含崩塌概率的一维沙堆模型，并用元胞自动机方法对该模型进行计算机模拟. 结果表明在崩塌概率p从0到1的变化过程中存在两个临界点p₁和p₂. 当p₁2时模型具有自组织临界行为，并且系统在从平凡行为到自组织临界行为之间有一个快速的转变. 当模型具有自组织临界性时，这种自组织临界行为具有普适性，两个临界指数分别是1.50±0.02和1.58±0.15. 该模型能够较好地解释一维米粒堆实验中出现的自组织临界现象 关键词： 自组织临界性 BTW模型 崩塌概率     

高频引力波对环形波导中电磁波的调制作用

讨论了垂直入射的、频率为ω_g的平面高频引力波对环形波导管中频率为ω_e的电磁波的调制作用．一般情况下，在波导管中与引力波传播方向垂直的对称平面附近，电磁波的能流密度会出现三种新的频率成分（2ω_e±ω_g）和ω_g．在ω_g》ω_e时，能流密度振幅的相对调制量与引力波的无量纲振幅h₀数量级相同．特别是当ω_g，ω_e和电磁波绕波导传播的绕行频率ω₀满足关系ω_g＝2ω_e》ω₀时，由于类似于共振的机制，能流密度会出现比h₀大几个数量级的振幅相对调制量．这个结果不会由于参数的微小改变而消失，这对于探测极微弱的引力辐射信号将是十分重要的 关键词：     

Mg-Ni-Nd非晶合金晶化温度与晶化驱动力的预测

通过对Buschow提出的预测二元非晶态合金晶化温度的“最小空位”模型进行扩展，并进一步结合Miedema理论得到了一种预测三元非晶态合金晶化温度和晶化驱动力的理论方法.利用该方法计算了(Mg_70.6Ni_29.4)_1-xNd_{x(x＝5,10,15)非晶态合金的晶化温度、晶化驱动力以及晶化焓.其中晶化温度和晶化焓的理论预测值与实验值的相对误差分别小于8%和7%.同时发现较高的晶化驱动力会降低 关键词： 非晶态合金 晶化温度 晶化驱动力}     

回火金属玻璃小角X射线散射强度的背底校正

提出校正回火金属玻璃（非晶合金）小角ｘ射线散射强度的背底误差的方法：将淬火态非晶合金的小角Ｘ射线散射强度作为在相同的实验条件下得到的回火非晶合金小角Ｘ射线散射强度的背底而予以扣除。并将这样扣除背底和用通常方法扣除背底得到的结果相比较，由前者得到的散射强度遵从Ｐｏｒｏｄ律，并进而得到Ｐｏｒｏｄ常数Ｋ_p＝４．６×１０^-2（ｎｍ^-3），积分不变量Q_s＝１．６３（ｎｍ^-2），比内表面Ｓ_p＝８４ｍ²／ｃｍ³，Ｐｏｒｏｄ半径Ｒ_p＝４．４ｎｍ用通常方法扣除背底后的散射强度不满足Ｐｏｒｏｄ规律。 关键词：     

磁性物质交换Hamiltonian中两项的竞争

对于一个N电子体系, 正确的交换Hamilton应该由两项组成，为H_ex=-2A1ii·s_j-2A₂ii·sj，而不是以往的铁磁学理论使用的H_ex=-2Aii ·s_j （其中A为A₁与A₂的代数和， A₁>0, A₂<0）, 以往的理论使用了一个不合理的交换Hamiltonian量.-2A₁ii·s_j与-2A₂ii< /sub>·s_j在数学上是同类项，但是在物理上不是 同类项，它们有不同的本征态和本征值.根据量子力学中的态叠加原理，这个电子系统的本 征态矢为X〉=1A²₁+A²₂(A₁ 1〉+A₂‖2〉),其中Dirac符号1〉表示系统所有电子 的自旋平行排列时的态（简称平行自旋态）矢量，2〉表示系统所有电子或最近邻电子的自 旋反平行排列时的态（简称反平行自旋态）矢量，H_ex的本征值（即系统的 交换能） 为E=-Nz（A₁-A₂）-2NzA₂²A₁ +A₂=-Nz（A₂-A₁）-2NzA²₁A< sub>1+A₂,其中z为最近邻电子数.当A₂=0时，X〉=1〉，E =-A₁, 系统具有Wei ss 铁磁性；当A₁ =0 时，X〉=2〉，E =-A₂，系统具有Neel 反铁磁性；当A₁ =A₂（即A=0）时，X〉=12 (1〉+2〉)，E=-A₁，系统处于自旋玻璃（spin glass）态；当A₁>A ₂时，X〉=1A²₁+A²₂［(A₁-A₂)1〉+A₂(1〉+2〉)］,平行自旋态与自旋 玻璃态共存；当A₁2时，X〉=1A²₁+A2₂［(A₂-A₁)2〉+A₁( 1〉+2〉)］，反平行自旋态与自旋玻 璃态共存.与原来理论中的Weiss铁磁态或Neel反铁磁态相比，平行自旋态与自旋玻璃态共存 或反平行自旋态与自旋玻璃态共存使系统的交换能降低.自旋玻璃态中电子自旋之间取向的 随机性或无序性是由交换Hamiltonian中-2A₁iis_j与-2A₂ii·s_j之间的竞争引起的，不是热运 动引起的. 关键词： 交换哈密顿量 铁磁态 反铁磁态 自旋玻璃态     

Stability and characteristics of NH3/CH4/air flames in a combustor fired by a double swirl stabilized burner

Compared to hydrocarbons, ammonia's low reactivity and higher NO_x emissions limit its practical application. Consequently, its implementation in combustion systems requires a different combustor geometry, by adapting existing systems or developing new ones. This study investigates the flame stability, NO emissions, and flame structure of NH₃/CH₄/air premixed flames in a novel combustor comprising a double swirl burner. A lean premixed CH₄/air mixture of equivalence ratio, Φ_out, was supplied to the outer swirl, while a NH₃/CH₄/Air mixture fed the inner swirl. The molar fraction of NH₃ in the inner fuel blend, x_NH3, was varied from 0 (pure CH₄) to 1 (pure NH₃) over far-lean to far-rich inner stream equivalence ratio, Φ_in. This new burner's stability map was established in terms of Φ_in versus x_NH3 for different Φ_out. Then, NO emissions were measured versus Φ_in for various x_NH3 and Φ_out. Finally, based on the NO emissions, eight flames were down-selected for in-flame measurements, which included temperature and OH-PLIF. The stability measurements revealed that increasing x_NH3 modifies the stability map by increasing the lean blowout limits and narrowing the flashback region. At Φ_out ≥ 0.6, a stable flame was achieved for a pure inner NH₃/air mixture. Low NO emissions were achieved in this burner configuration at x_NH3=1 by either enriching or far-leaning Φ_in. Enriching Φ_in led to a steep decrease in NO concentrations. However, to achieve low NO concentrations, precise control of Φ_out was needed. At Φ_in=1.4, 220 ppm NO at Φ_out=0.7 versus 690 at Φ_out=0.6 was measured. Moreover, substantially enriching Φ_in>1.2 led to a slight decrease in measured NO. Generally, the OH-PLIF images revealed a conical OH-layer at the burner exit. Certain flame conditions created OH-pockets inside the conical structure or formed a V-shaped OH-layer far downstream. This change in flame structure was found to impact NO emissions strongly.     

Evaluation of time-intensity curves in ductal carcinoma in situ (DCIS) and mastopathy obtained using dynamic contrast-enhanced magnetic resonance imaging

Purpose

The aim of this study was to retrospectively evaluate the ability of dynamic, contrast-enhanced magnetic resonance imaging (DCE-MRI) to differentiate between ductal carcinoma in situ (DCIS) and mastopathy by analyzing their signal intensities (SIs).

Methods

After the pre-contrast MRI was performed using a 1.5-T MRI system, DCE-MRI was performed four times following intravenous administration of contrast medium. We set the volumes of interest (VOIs) on the tumor and normal mammary gland and obtained the SIs in these VOIs. We calculated the entropy (EPY) in the pre-contrast (EPY0) and four post-contrast scans (EPY1, EPY2, EPY3, and EPY4 for the first, second, third and fourth scans, respectively) using the volume histogram method, and the wash-in (WR_in) and washout rates (WR_out) according to the Breast-Imaging Reporting and Data System developed by the American College of Radiology. We also calculated the early slope (Slope_early) from the pre- and post-contrast SIs in the tumor and normal gland. We evaluated the usefulness of the above parameters for differentiating between DCIS and mastopathy using the area under the receiver operating characteristic curve (Az).

Results

There were significant differences in EPY2 (P=.009), EPY3 (P=.017), EPY4 (P=.034), WR_in (P=.036), WR_out (P=.019), and Slope_early (P=.002) between DCIS and mastopathy. The average Az values were 0.67, 0.52, 0.64, 0.63, 0.67 and 0.70 for EPY2, EPY3, EPY4, WR_in, WR_out and Slope_early, respectively.

Conclusion

We evaluated the usefulness of various parameters calculated from SIs obtained by DCE-MRI for differentiating between DCIS and mastopathy. Our results suggested that Slope_early is more useful than EPYs, WR_in and WR_out.     

Metal–insulator transition in a quantum well under the influence of magnetic field

Ionization energies of a shallow donor in a quantum well of the Cd_1-xinMn_xinTe/Cd_1-xoutMn_xoutTe superlattice system are obtained. A variational procedure within the effective mass approximation is employed in the presence of magnetic field. Within the one-electron approximation the occurrence of Mott transition is seen when the binding energy of a donor vanishes is observed. The effects of Anderson localization and exchange and correlation in the Hubbard model are included in our model. It is found that the ionization energy (i) decreases as well width increases for a given magnetic field, (ii) decreases when well width increases, (iii) the critical concentration at which the metal–insulator transition occurs is enhanced in the external magnetic field and (iv) spin polaronic shifts not only with the increase in a magnetic field but also with the well width increases. All the calculations have been carried out with finite barriers and the results are compared with available data in the literature.     

4He+在Al和Si单晶晶面沟道中的半波长及阻止本领

采用高分辨探测系统,在不同的入射角θ_in和出射角θ_out的条件下,测量了1—2MeV⁴He⁺入射在Al(100)面和Si(110),(100)面中的背散射能谱。得到了背散射能谱振荡峰的间距ΔE与cosθ_in/cosθ_out的直线关系,从而获得了1—2MeV⁴He⁺在这三个晶面中的振荡半波长及阻止本领。实验得到的半波长与理论计算值在误差范围内一致,晶面沟道方向的阻止本领略大于随机方向的阻止本领。 关键词：     

Flow Boiling Heat Transfer in Micro-Channel Heat Sinks under Sub-Atmospheric Pressures

A closed-loop two-phase mini-channel-based heat sink driven by a micro-gear pump was developed in this work. Using water as an example, experiments were performed in two micro-channel heat sinks under the conditions of initial pressure of P_in = 34–113 kPa, mass velocity of G = 19–468 kg/m₂s, outlet quality of x_e,out = ?14–66%, and heat flux of q″ = 0–230 W/cm², which covered single-phase flow, subcooled flow boiling, and saturated flow boiling regions. The results showed distinctive differences between the subcooled and saturated boiling regime and revealed that the influence of the system pressure. The experimental data were also compared to a boiling mechanism demarcation map and assessed against some empirical correlations, which suggests some uniqueness of the current heat sink associated with flow boiling at the mesoscale.     

A cellular automata model for urban traffic with multiple roundabouts

Urban transportation with multiple roundabouts is facing significant challenges such as traffic congestion, gridlock and traffic accidents. In order to understand these behaviors, we propose a two-dimensional cellular automata (CA) model, where all streets are two-way, with one lane in each direction. To allow the turning movement, a roundabout is designed for each intersection where four roads meet. The distance between each pair of roundabouts is configured with the parameter K while the turning behavior of drivers is modeled by a parameter γ. To study the impact of these different parameters on the urban traffic, several traffic metrics are considered such as traffic flow, average velocity, accident probability and waiting time at the entrance of roundabout. Our simulation results show that the urban traffic is in free flow state when the vehicle’s density is low enough. However, when the density exceeds a critical density ρ_c, the urban traffic will be in gridlock state whenever γ is nonzero. In the case where $\gamma =0,$ the urban traffic presents a phase transition between free flow and congested state. Furthermore, detailed analysis of the traffic metrics shows that the model parameters (γ, K) have a significant effects on urban traffic dynamics.     

零质量射流激励下诱发液体相变及其格子Boltzmann方法模拟

使用格子Boltzmann方法对零质量射流激励下液体的相变演化过程进行了数值模拟和分析.首先,提出了此特定零质量射流进出口边界的处理格式.然后,结合Shan和Doolen提出的单组分多相模型,模拟了方腔内液体受到此零质量射流激励而诱发产生空化的过程,着重分析了三个重要射流参数ε/T,T和v out/v in对方腔内液体相变的影响.分析表明:演化过程中方腔内气相节点数量在初始阶段急剧增长,然后经振荡趋于一个稳定值.由于ε/T和v out/v in可以反映射流在出入方腔两个过程间相互转换时的急剧变化,所以能够影响方腔中的液体相变的演化;而改变参数T并不影响射流速度的变化程度,所以T对液体相变的影响较弱.对于本文给定的参数取值,ε/T较小时,方腔内液体相变生成的孤立气泡脱离壁面;较大的ε/T下产生附着于方腔壁面的气泡,并且能够加速液体的相变进程;v out/v in的增加使方腔内相应的孤立气泡所覆盖的范围略有减小.研究结果揭示了零质量射流激励诱发的液体相变过程,为进一步探索液体空化的控制途径奠定了基础.     

The relations of “go and stop” wave to car accidents in a cellular automaton with velocity-dependent randomization

In this paper we numerically study the probability P_ac of the occurrence of traffic accidents in the Nagel-Schreckenberg (NS) model with velocity-dependent randomization (VDR). Numerical results show that there is a critical density over which car accidents occur, but below which no car accidents happen. Different from the accident probability in the NS model, the accident probability in the VDR model monotonously decreases with increase of car density above the critical density. The value of the accident probability is only determined by the stochastic noise and the number of cars on road. In the stochastic VDR model with the speed limit v_max=1, no critical density exists and car accidents happen in the whole density region. The braking probabilities of standing cars and moving cars have different influences on the accident probability. A mean-field theory reveals that the accident probability is proportional to the mean density of “go and stop” wave per time step. Theoretical analyses give excellent agreement with numerical results in the VDR model.     

Optically induced magnetization in diluted magnetic quantum dots

We report the effect of intense laser field on donor impurities in a semimagnetic Cd_1-xinMn_xinTe/Cd_1-xoutMn_xoutTe quantum dot. The spin polaronic energy of different Mn²⁺ is evaluated for different dot radii using a mean field theory in the presence of laser field. Magnetization is calculated for various concentrations of Mn²⁺ ions with different dot sizes. Significant magnetization of Mn spins can be obtained through the formation of polarized exciton magnetic polarons (EMPs). A rapid decrease of the laser dressed donor ionization energy for different values of dot sizes with increasing field intensity is predicted. Also, it is found that the polarization of EMPs increases rapidly at higher excitation energies.