声波在球状准周期多层介质中的传播

运用转移矩阵方法研究了声波在准周期球形多层介质中的传播，与周期性结构比较它具有不同结构的通带和禁带，且随介质层数的增加声波衰减速度变慢。声波透射系数还随介质厚度的改变发生周期性的变化。     

金属插层对C60/AlN一维光子晶体带隙的影响

利用传输矩阵方法,研究了金属Ag插层对C60/AlN一维光子晶体带隙宽度以及反射率的影响.结果表明：在C60与AlN之间插入Ag组成的［C60/Ag/AlN］n一维光子晶体,与未插入Ag层相比可使带隙增宽73.91%,最大反射率提高到91.01% .该结构可望用于制作紫外线波段的宽带反射镜.     

准一维混合自旋(1/2,5/2)Ising-XXZ模型的量子相干和互信息

准一维混合自旋(1/2, 5/2) Ising-XXZ模型可以用来研究一些材料(如异质三金属化合物Fe-Mn-Cu)的磁性质,该研究也有助于这类材料在量子信息等领域的应用.本文利用转移矩阵法计算了该模型的量子相干和互信息,讨论了Ising作用、温度和磁场对其的影响.结果表明,在极低温度下随Ising作用的增强量子相干逐渐减小,而互信息在各向同性系统中存在一个极小值,在各向异性系统(?=4)中存在多个极小值.进一步研究发现,量子相干和互信息在量子临界点存在突变,其一阶导数在该点存在奇异行为.还研究了有限温度下的量子相干和互信息,当磁场较弱时,两者随温度的升高单调减小;当磁场较强时,热涨落与磁场的竞争使得两者随温度的升高先增大后减小.相比于量子互信息,量子相干存在于更大的磁场和温度范围内,有利于在实验中对其进行调控.     

金属/掺杂聚合物/金属结构中载流子的注入与输运

基于紧束缚的Su-Schrieffer-Heeger模型，利用非绝热的动力学方法，研究了金属/聚合物/金属三明治结构中载流子注入与输运的动力学过程，其中，聚合物中含有一个掺杂离子. 电子波函数随时间的演化满足含时Schrdinger方程，晶格运动满足经典的牛顿运动方程. 研究发现，掺杂离子对注入到聚合物中的载流子的作用类似一个控制阀门，阀门的状态与电场的强度和偏压的大小密切相关.     

金属/掺杂聚合物/金属结构中载流子的注入与输运

基于紧束缚的Su-Schrieffer-Heeger模型,利用非绝热的动力学方法,研究了金属/聚合物/金属三明治结构中载流子注入与输运的动力学过程,其中,聚合物中含有一个掺杂离子. 电子波函数随时间的演化满足含时Schrdinger方程,晶格运动满足经典的牛顿运动方程. 研究发现,掺杂离子对注入到聚合物中的载流子的作用类似一个控制阀门,阀门的状态与电场的强度和偏压的大小密切相关. 关键词： 载流子输运 波包 非绝热动力学     

金属插层对C60／A1N一维光子晶体带隙的影响

利用传输矩阵方法，研究了金属Ag插层对C60／A1N一维光子晶体带隙宽度以及反射率的影响．结果表明：在C60，与A1N之间插入Ag组成的[C60／Ag／A1N]n一维光子晶体，与未插入Ag层相比可使带隙增宽73．91％．最大反射率提高到91．01％．该结构可望用于制作紫外线波段的宽带反射镜．     

Ta2O5/MgF2异质结构三维光子晶体的偏振性

为了在可见及近红外波段得到具有良好带隙结构的三维光子晶体,利用传输矩阵法分析了MgF₂、Ta₂O₅ 以及Ta₂O₅/MgF₂异质结构三维光子晶体的带隙性质.结果表明：Ta₂O₅/MgF₂异质结构三维光子晶体在820~1 020 nm的近红外波段TM模式下具有不受入射光方向影响的全方位光子带隙.该结构有望用于制作近红外光波段的偏振器件.     

双相多孔锂离子电池液/固界面的声反射与声透射

采用传递矩阵法,同步联立改进的Biot理论,对含液固界面的双相多孔锂离子电池的超声反射与透射系数进行理论求解。考虑锂离子的摇摆特性对电极力学性能的影响,计算了对应状态下液/固界面的双相多孔锂离子电池声反射及透射系数的角度谱与频率谱。同时,构建了不同荷电状态时含单元锂离子电池的频域仿真模型,以萃取对应的超声反射及透射角度谱及频率谱,并与理论计算结果对比吻合良好。随后,以多单元锂离子电池为例,在不同的荷电状态下,分析了反射与透射系数随斜入射角度、入射波频率的变化关系,并分别指出了其角度谱及频率谱特征点随荷电状态的变化特征,为锂离子电池运行状态的超声无损测量提供了理论基础。     

串联组装双C60 的电子结构和输运特性

利用第一原理密度泛函理论计算组装C60形成能和电子结构,用半经典隧穿理论研究了串联C60的电子输运特性。结果显示：六边形对六边形双C60比边对边双C60稳定;库仑阻塞与系统的结构密切相关,并且只有阴极结比阳极结窄时,才会出现库仑阻塞;低温时出现非常明显库仑台阶,温度较高时其被热效应抑制。     

串联组装双C60 的电子结构和输运特性

利用第一原理密度泛函理论计算组装C60形成能和电子结构,用半经典隧穿理论研究了串联C60的电子输运特性。结果显示：六边形对六边形双C60比边对边双C60稳定;库仑阻塞与系统的结构密切相关,并且只有阴极结比阳极结窄时,才会出现库仑阻塞;低温时出现非常明显库仑台阶,温度较高时其被热效应抑制。     

Transmission coefficient of interacting few-body system in one dimensional space

We present a novel way of defining transmission coefficient of one spatial dimensional few interacting electrons system. The formalism is based on the probability interpretation of unitarity of physical scattering S-matrix. The relation of our formalism to the well-established method for describing the conducting properties of non-interacting systems, Landauer-Büttiker formula, is discussed. The transport properties of interacting two-electron system is also discussed as a specific example of our formalism.     

Scattering and Transmission Resonances in One-Dimensional Hulthén Potential Barrier

The two component approach to the one-dimensional Dirac equation is applied to the Hulthén potential barrier. The scattering state solutions are obtained in terms of hypergeometric functions and the condition for a transmission resonance when the transmission coefficient is unity is derived.     

一维Au/MgF2光子晶体的透射性质

理论上研究了一维金属/电介质光子晶体的透射率性质,用传输矩阵方法数值计算了Au/MgF2光子带隙晶体的透射率．发现周期性结构产生的透射共振会大幅度增加光通过层状金属的透射率．通过调节一维Au/MgF2光子晶体中金和氟化镁的厚度以及周期数,得到了可见波段的高透射允带,透射率在0.4以上,而对于可见波段以外的频率几乎是完全不能传输的．这种结构在保持了高透射率的前提下还具有金属的优点,这在传感器、护目装置、反射窗、液晶显示等诸多领域都有很大的实用价值．     

Infrared observation of OC-C2H2, OC-(C2H2)2 and their isotopologues

ABSTRACT

The fundamental band for the OC-C₂H₂ dimer and two combination bands involving the intermolecular bending modes ν₉ and ν₈ in the carbon monoxide CO stretch region are re-examined. Spectra are obtained using a pulsed supersonic slit jet expansion probed with a mode-hop free tuneable infrared quantum cascade laser. Analogous bands for OC-C₂D₂ and the fundamental for OC–DCCH as an impurity are also observed and analysed. A much weaker band in the same spectral region is assigned to a new mixed trimer, CO-(C₂H₂)₂. The trimer band is composed uniquely of a-type transitions, establishing that the CO monomer is nearly aligned with the a-inertial axis. The observed rotational constants agree well with ab initio calculations and a small inertial defect value indicates that the trimer is planar. The structure is a compromise between the T-shaped structure of free acetylene dimer and the linear geometry of free OC-C₂H_2. A similar band for the fully deuterated isotopologue CO-(C₂D₂)₂ confirms our assignment.     

Quantum conductance through a uniform scatterer in a narrow-wire semiconductor

The quantum conductance for electrons scattering from a uniform scatterer in a narrow-wire semiconductor is calculated. Instead of getting the conductance directly from the calculation of transmission coefficient, we calculate the reflection coefficient instead. The transmission coefficient is then calculated by using the conservation law, T=I−R. This alternative method can avoid the instability of the conductance obtained by including more evanescent modes for a finite-range scatterer in a narrow-wire semiconductor. This method is applied to a semi-infinite strip potential barrier and a rectangular potential barrier in a narrow wire. The quantum stepwise conductance is obtained in both cases. For a repulsive rectangular potential barrier, there are oscillations in each stepwise conductance. For an attractive rectangular potential barrier, there exist multiple quasi-bound states below the sub-band energies which can cause the drop of the quantum conductance. The effect of the continuum quasi-bound states diminishes as the energy of the incident electron increases, but the influence of the discrete quasi-bound states still persists.     

Quantum rotational scattering of H2 and its isotopologues with He

Quantum close-coupling computations of the rotational quenching of H₂ and its isotopologues due to He impact are performed using a highly accurate potential energy surface. State-to-state cross sections are obtained in a wide range of collision energies between 10^?5 cm^?1 and 10⁴ cm^?1, and the theoretical rate coefficients are reported for temperatures ranging from 10^?4 K to 3000 K. Compared with previous studies, the well depth of the potential adopted in this study is larger, leading to stronger resonance effects in the cross sections of He-HD. The accurate potential was employed to investigate the isotope effects of H₂ in detail. The cross-section resonances shift towards lower collision energies and become stronger with increasing reduced mass. The calculated cross sections and rate coefficients of H₂ and its isotopic variants in collisions with He are provided to study the energy transfer in these systems.     

Al_2O_3/C复合微粒子散射强度分布的计算

利用A .L .Aden和M .Kerker复合微粒子Mie散射理论计算了Al2 O3/C复合微粒子的散射强度分布函数 ,分析了影响散射强度分布的因素     

A study on detonation-diffraction reflection point distances in H2/O2, C2H2/O2, and C2H4/O2 systems

Recently, Kawasaki and Kasahara (2019) reported that reflection point distance, which is a detonation characteristic length relevant to the diffraction process, is a useful measure; i.e., the critical condition for detonation diffraction can be universally expressed in terms of the diffraction point distance, independent of mixture stability. However, their findings were limited to their experimental conditions only. In this study, we performed high-speed visualization of processes of cylindrical (line-symmetric) detonation diffraction around a 90-degree corner for two series of experiments to obtained reflection point distances, l_r, as a novel characteristic length, and examined critical conditions of reinitiation expressed in terms of the reflection point distance. In the first experimental series, stoichiometric C₂H₂/O₂ mixtures with 50% Ar dilution were employed, and the channel width l_c was varied to 5, 10, 15, and 20 mm to investigate the influences of the boundary condition of the flow field. In the second experimental series, H₂/O₂, C₂H₂/O₂, or C₂H₄/O₂ mixtures with different equivalence ratios were employed to investigate influences of the reaction systems. Our results confirmed that the channel width does not affect the reflection point distance or the critical condition. The critical condition was also independent of fuel species and equivalence ratio, and can be uniquely expressed as l_r / l_c = 4.0 ± 0.6 in terms of the reflection point distance.     

Transmission spectra of ballistic electrons in conventional and effective-mass superlattices

In this paper, we compare transmission spectra of electrons propagated in ballistic transport regime in finite conventional and finite effective-mass superlattices. Taking into account the off-center-zone transport as well as center-zone one, we show theoretically that the Bragg transmission of carriers and the kinetic confinement effect are presented not only in the effective-mass superlattice but in the conventional one as well. However, these effects appear at the center of the Brillouin zone only in the case of the effective-mass superlattice. In the conventional superlattice, the effects are observable at the periphery of the Brillouin zone.     

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利用分子动力学方法研究了H原子与C/Be样品的相互作用过程,当H原子轰击C/Be样品时,发现有一些H原子渗入样品中并且滞留在样品中,H原子的滞留率随H原子的初始入射能量的升高呈线性增长,有些沉积在样品中H原子与C原子相互作用形成H-C键。溅射产物以H原子和H2分子为主。H和H2的产额率随初始入射能量的变化趋势相反,分析了不同机制下产物H和H2的产额率随初始入射能量的关系,且通过分析H原子的入射能量和样品的原子密度的关系来研究轰击后的样品,发现样品中原子分布变化很小,同时分析了化合物中的化学键分布变化较小,只是其化学键的分布峰向样品表面移动。