小口径单壁碳纳米管的最低光学声子模（英文）

扶手型及锯齿形单壁碳纳米管的最低光学声子模并不一定是E2g或E2模.对于轴向晶格常数比横截面周长大的单壁碳纳米管来说,其最低光学声子模是垂直于其轴向方向振动的一种驻波.通过基于经验势函数的模拟计算,确定这种光学声子模的能量是正比于碳纳米半径的.     

保E*关系且方向保序严格部分一一变换半群的秩

设X为有限集合,E为X上的等价关系,令SOPI_E^*(X)为X 上的所有保E^*关系且方向保序严格部分一一变换构成的半群. 为了讨论此变换半群的秩,引入了新的等价关系从而得到新的等价类. 通过对等价类的分析得到了半群SOPI_E^*(X)的秩.     

铝氢化物Al2Hn(n=1~6)团簇结构与光谱

 采用密度泛函(DFT)中的B3P86方法,在Dunning的相关一致基组cc-PVTZ水平上,对铝氢化物Al₂H_n(n=1~6)团簇的可能几何构型进行优化计算,得出最稳定构型的几何参数、电子结构、振动频率和光谱等性质参数,并给出了最稳定结构的总能量(E_T)、结合能(E_BT)、平均结合能(E_av)、电离势(E_IP)、能隙(E_g)、费米能级(E_F)和氢原子差分吸附能(E_diff)等.结果表明铝氢化物团簇基态稳定结构的电子态分别为:n为奇数为²A,n为偶数为¹A;由于Al原子属于缺电子原子,能与等电子原子H化合,通过氢桥键形成含多中心键的氢化物,本文优化计算发现,铝氢化物团簇最稳定的构型中都存在氢桥键,这是铝氢化物的奇异结构特征.最后分析铝氢化物团簇的平均结合能、电离势、能隙和费米能级等动力学和红外光谱特性,说明Al₂H_n(n=1~6)团簇中Al₂H₆最稳定,H-Al桥键键长比端键更长,最强峰红外光谱强度最大.     

碲镉汞吸收缘以上E1和E2峰的指认

The fundamental reflectivity spectrum of HgCdTe have been investigated.The feature of the spectra is the presence of E₁ and E₂ peaks in the fundamental absorption region.The lower energy peak can be split into a doublet (E₁ and E₁＋Δ₁）.A three-dimensional saddle point is used to fit the E₁ and E₁+Δ₁ critical point and some simulated calculation is done for E₂ at X point.The calculated results are compared with the measured results and prominent features of the dielectric spectra are identified with critical-point transitions at the Λ and X points in the Brillouin zone.     

基于微观驾驶行为的城市隧道出入口安全评价

对南京市的西安门隧道进行实车试验,并采用Dikablis眼动仪及心生理检测仪获取7名驾驶员眼动及心生理行为指标,同时采集车辆行驶车速,加速度等数据,通过因子分析法提取并分别建立城市隧道入口和出口综合指标F_E.F_E为反映微观驾驶行为的综合指标用以评价城市隧道出入口的安全性.根据隧道历史事故数据划分该综合指标安全等级的阈值,可用于从微观驾驶行为的角度评价城市隧道出入口区域的安全性.     

含氮杂环类润滑油添加剂抗磨损性能的神经网络研究

为研究含氮杂环衍生物对三羟甲基丙烷油酸酯改性后的抗磨损性能,计算30个含氮杂环衍生物的分子结构指数. 优化筛选其中分子连接性指数⁴X和⁵X、分子形状指数K₃、电性拓扑状态指数E₇、电性距离矢量M₆和M₁₈. 对以上6种结构指数与磨损量度进行回归分析,将分子结构指数作为神经网络的输入变量,磨损量度作为输出变量,采用6∶2∶1的网络结构,建构预测磨损量度能力较强的神经网络预测模型,模型的总相关系数r_t为0.9921. 计算得到磨损量度的预测值与实验值吻合度较好,相对平均误差为0.38%. 从构建的模型可以看出,—CH₃、=CH—、—NH—等基团的数量及连接方式是影响润滑油磨损量度大小的主要因素.     

TaAgN复合膜显微结构、力学性能和摩擦性能的研究

采用非平衡反应磁控溅射法制备了TaAgN复合膜。利用X射线衍射仪、CSM纳米压痕测试仪和摩擦磨损测试了复合膜的显微结构、力学性能和摩擦性能。结果显示,TaAgN复合膜由面心立方结构的TaN相和底心斜方结构的Ta₄N相组成。随着Ag靶功率的增加,硬度H、弹性模量E、弹性恢复W_e和H³/E²值均呈先升高后降低的趋势,最大值分别为34 GPa,394 GPa,57%和250 MPa。随着Ag靶功率的增加,TaAgN复合膜室温下的平均摩擦因数呈降低趋势。当Ag靶功率为25 W时,随着温度的升高,TaAgN复合膜的平均摩擦因数逐渐减小。     

考虑寒区隧道围岩冻结温度渐变的冻胀力解析解

为考虑寒区隧道围岩单向冻结和径向冻结温度渐变会引起的不同方向和不同冻结深度处的非均匀冻胀变形,通过引入冻胀围岩径向冻结温度Tr和平行与垂直冻结方向的非均匀冻胀系数k反映围岩的非均匀冻胀性,理论推演建立了寒区隧道冻胀力解析解,并进行了案例和影响因素分析。研究表明：忽略冻结温度渐变影响时冻胀力明显偏大,考虑冻结温度渐变可有效提高冻胀力计算的可靠性;考虑冻结温度渐变影响的冻胀力随着非均匀冻胀系数k的增大呈对数函数增大,随冻结与未冻围岩的弹性模量比E_Ⅱ/E_Ⅲ的增大而线性减小,且E_Ⅱ/E_Ⅲ越大时冻胀力产生所需围岩达到的临界k值也越大;隧道冻胀力随围岩冻结圈外径、未冻围岩弹性模量和原岩应力的增大而增大,但随衬砌内径、冻结围岩单位温度冻胀系数的增大而逐渐降低。     

E凸函数的次微分

 在E凸集上,引进了E凸函数,定义了广义实值函数的E次微分,得到了E凸函数次微分的特征定理;利用特征定理,得到E凸函数次微分的性质.     

一类非线性薛定谔方程的孤子解

 研究了具有V(x,t)=f₁(t)x+f₂(t)x²形式的外部势的非线性薛定谔方程的单一孤立子解.结果表明:当孤立子的中心满足带有势V(x,t)的牛顿方程,孤立子的内部结构由"体固定"坐标系决定.孤立子的结构与f₁(t)无关.若f₂(t)与t无关,孤立子是固定的.原则上,若f₂(t)剧烈变化,则孤立子将扩散.但数值计算表明,在一定条件下,孤立子还是经得起f₂(t)的剧烈变化.     

单负材料填充包层的矩形波导模式特性

【目的】通过求解矩形波导模式特征方程,计算矩形波导横向场分布,研究电磁波在单负材料矩形波导中的传播特性以及该波导参数对其导模Exmn的影响规律。【方法】基于电磁场的波动理论和马卡梯里假设,利用图解法对波导有效折射率及横向电场分布进行求解,并分析波导模式的频率色散关系。【结果】该矩形波导的传播模式Ex0n和Ex1n为x方向衰减的表面模,仅当m1时,波导的传播模式才是振荡导模;固定波导芯子层厚度不变,当导波频率增大时,高阶模向高频方向移动的速度比低阶的快;保持m1,当m或n增大时,Exmn模式的截止点均向波导孔径增大的方向移动,且相邻模式的截止间距相等。【结论】单负材料包层的矩形波导既支持存在低阶表面模的条件,也支持存在高阶振荡导模的条件,波导孔径大小对导波模有很好的调制效果,可实现宽孔径多模传输和小孔径单模传输的功能。     

The nonwandering set of some Hénon map

For the Hénon mapT _{a, b}(x, y) = (1 −ax ² +y, bx), Benedicks and Carleson proved that for (a,b) near (2, 0) andb > 0, there exists a setE with positive Lebesgue measure, whose corresponding mapT _{a, b} possesses a strange attractor. Viana conjectured that if (a, b) ∈E, then the nonwandering set of the mapT _a, b Ω(T_{a, b}) = ∧_{a, b},Uq _a, b, where ∧_{a, b}, is the strange attractor, q_a,b is a hyperbolic fixed point in the third quadrant. It is proved that this conjecture holds true for a positive measure set E₁ ⊂E.     

The preparation and characterization of amorphous SiCN thin films

Radio Frequency plasma enhanced Chemical Vapor Deposition (RF CVD) using N₂, SiH₄ and C₂H₄ as the reaction sources was used to prepare amorphous ternary Si _x C _y N _z thin films. The chemical states of the C, Si and N atoms in the films were characterized by X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR). The refractive indexn, extinction coefficientk and optical band gapE _opt of the thin films were investigated by UV-visible spectrophotometer and spectroscopic ellipsometer. The results show that a complex chemical bonding network rather than a simple mixture of Si₃N₄, SiC, CN _x and a-C etc., may exist in the ternary thin films. Then's of the films are within the range of 1. 90–2. 45, andE _opt's of all samples are within the range of 2. 71–2. 86 eV. Foundation item: Supported by the National Natural Science Foundation of China (19975035) Biography: Li Jin-chai (1946-), male, Professor, research direction: novel functional materials films & ion beam modification of materials.     

Growth of the Huoersuosi anticline （north Tianshan Mountains） by limb rotation since the late Miocene

The Huoerguosi anticline, located in the north Tianshan Mountains piedmont fold-and-thrust belt, is a trending east-west fault-related fold. In the cross section along the Jingou River, its south limb is composed of the pre-growth strata of the Anjihaihe （E2.3a）, the Shawan （（E3-N1）s）, the Taxihe （N1t） and the lower part of the Dushanzi （N2d） Formations, trending east-west and dipping to south 55°, and the growth strata of the upper part of the Dushanzi （N2d） and Xiyu （（N2-Q1）x） Formations, dips of which decrease from 55° at the base of the growth strata to 47° at the bottom of the Xiyu （（N2-Q1）x） Formation to -0° at the top of the Xiyu （（N2-Q1）x） Formation. The strata at the north limb of the anticline are vertical or over-turned, and are cut by the breakthrough thrusts to result in the drag fold. In the depth, the anticline is symmetric, and its core comprises the Cretaceous and the Jurassic coal-bearing beds. In the seismic profile, the seismic reflectors of pre-growth strata at the south limb of the anticline dip to south constantly, and ones of the growth strata fan southward, whose dips decrease upward. The geometry of the south limb growth strata outcropped along the Jingou River valley and the deep structure of the anticline shown in the seismic profile indicate that the Huoerguosi anticline is a detachment fold anticline growing by limb rotation. Based on the growth model and magnetostratigraphic age, during the growing process of the Huoerguosi anticline, the average shortening rate absorbed by the south limb is -0.46 mm/a, and the average uplifting rate of the anticline is -0.86 mm/a which exceeds the average deposition rate, which is in accordance with the fact that the top of the anticline is intensely eroded. Considering symmetric geometry of the Huoerguosi anticline and ignoring the breakthrough thrusts, the shortening of the whole anticline should be more than -0.92 mm/a, doubling the shortening rate determined from the growth at the south limb.     

Effects of three coupling coefficients on the spectrum characteristics of superstructure fiber grating

For the superstructure fiber grating (SFG) consisting of fiber Bragg grating (FBG) and long-period fiber grating (LPFG), there exist three kinds of coupling: the contra-directional coupling between forward propagating core mode and backward propagating core mode, the contra-directional coupling between core mode and cladding mode, and the co-directional coupling between core mode and cladding mode. By using the similarity transformation method for the coupled mode equations, the effects of three coupling coefficients κ _co L, κ _cl L, and κ _S L on the transmission and reflection spectra of SFG have been investigated. The simulations show that the overall intensity of the transmission spectrum of SFG is decided by LPFG, that the main lobes of the transmission and reflectivity spectra of SFG are decided by coupling coefficients κ _co L an κ _S L, and that the side lobes of the transmission and reflectivity spectra are decided by coupling coefficients κ _cl L and κ _S L. Biography: YUAN Yinquan (1964–), male, Professor, Ph.D., research direction: fiber optical sensors.     

Tree decomposition

A tree decomposition of graph G=(V, E) is referred to as a partition of edge set E into edge-disjoint trees. Given (not necessarily distinct) vertices u-1, u-2...u-k∈V with k≥2, a sufficient and necessary condition is given for a connected graph G=(V,E) to have a tree decomposition {T-1, T-2...T-k} such that V(T-i)=V{u-i}, i=1,2,... k.     

Effect of the free surface on the earthquake energy: A case study of reverse faulting

Based on the representation theorem of seismic energy radiation, in this study, we have quantitatively investigated the effect of free surface on the radiation energy distribution due to a coupling interaction between free surface and near surface finite fault for the reverse earthquake faulting. Corresponding to the finite faulting, a 2-D pseudostatic-reverse-fault-dislocation solution has been used in the calculation of the work done by the seismic response against free surface. The results indicate that, due to a strong coupling interaction between the free surface and near surface fault, the total radiated seismic energy ER is much larger than that radiated only from the fault itself （EF）, especially for the shallow reverse faulting. In convention, EF is commonly used in the estimation of earthquake energy radiation. However, when the fault depth H, the distance between the free surface and top of fault location, increases, the effect of the coupling interaction between the fault and free surface decreases gradually. Therefore, the total radiated energy ER approaches to the EF when the depth H is about 2 times the fault length L The current study could provide us a partial explanation of the apparent stress discrepancy observed at the far field and near field in the recent large earthquake. Moreover, the current study also has a significant implication of how to quantitatively describe the near fault strong ground motion and associated seismic hazard from the earthquake source energy point of view.     

A complete set of addition laws for twisted jacobi intersection curves

A complete system of addition laws on an elliptic curve E is a collection of addition laws with the property that for any pair of points P1,P2 on E at least one of the addition laws in the collection can be used to compute P1+P2.This paper proposes a complete set of the addition laws for arbitrary twisted Jacobi intersection curve.     

Refinement of the crystal structure for a new mineral──antimonselite

The crystal structure of a new mineral of the stibnite group, Sb-2Se-3, has been determined. The cell constants, obtained by least-squares calculation from direct θ -value's measurements on the diffractometer are: a =1.158 8(5), b =1.174 4(4), c =0.395 5(2) nm; orthorhombic; V =0.538 23 nm+3; Z =4. The space group is Pbnm. X-ray single crystal data, using Mo K α radiation, were measured on a RIGAKU RASA-5RP automated diffractometer and refined to a final R index of 0.048 1. Sb-2Se-3 is isostructural with Sb-2S-3 and Bi-2S-3. Each Sb(1) atom is six-coordinated by 3 Se(1), 1 Se(2) and 2 Se(3) atoms at distances 0.266 0-0.323 6 nm. Each Sb(2) atom is seven-coordinated by 2 Se(1), 2 Se(2) and 3 Se(3) atoms at distances of 0.258 1- 0.346 7 nm. The crystal structure consists of chains parallel to c or needle axis. The strongest bonds (shortest separations) are within the chains. Many important physical properties of antimonselite (optical, ferroelectric, etc.) are related to its crystal structure.     

扭曲椭圆管内超临界CO2冷却换热的数值模拟

为了提高CO₂热泵的传热性能,基于Fluent的数值模拟方法研究了不同质量流量下,扭距为100 mm及无扭曲状态下的水平椭圆管管内超临界CO₂冷却换热特性及二次流的变化规律,并针对竖直椭圆管引入局部换热系数和压降,研究了长短轴比b/a及扭距对扭曲管换热性能的影响。结果表明,低质量流量下扭曲椭圆管内浮升力明显大于椭圆管扭曲结构所产生的浮升力,对于低质量流量G<200 kg/(m²·s²)下的超临界CO₂流体,椭圆管具有更大强度的浮升力所造成的二次流,强化传热更明显;对于高质量流量G>200 kg/(m²·s²)下的超临界CO₂流体时,扭曲椭圆管具有更大强度自身结构所产生的周期性二次流来强化传热;管内的传热系数及压降随着扭曲程度及压扁程度的增大而增大。为扭曲椭圆管在CO₂热泵中的应用提供了重要的理论与数据支持。