高温超导体的渗流模型

运用渗流模型研究高温超导体的宏观性质，得到电阻－温度（无磁场和有磁场）、磁化率－温度以及约化上临磁场－温度等关系曲线。在适当参数下，这些曲线与实验曲线定性符合相当好。     

Mo高压熔化的分子动力学模拟

 采用第一原理方法计算了钼在零温下的结构,表明钼在500 GPa以下一直保持bcc结构（常温）,与实验一致。在零压附近计算了E-V关系,利用Murnaghan物态方程拟合得到了零压体积及其模量,与实验结果符合得很好。采用第一原理分子动力学模拟了钼的高压熔化性质。采用NVT系综计算了128个原子的系统,初始构形为bcc结构,体积分别为0.015 48、0.012 19、0.010 98、0.009 84、0.009 10 nm³/atom,计算了几个温度点,拟合得到了熔化曲线,熔化温度明显高于金刚石压砧（DAC）实验结果;将初始构形改变为fcc结构,模拟其熔化特性,得到的熔化温度明显下降,与激光加载DAC实验结果一致,认为可能的原因是钼熔化后形成的液体结构类似于fcc结构,而不是常态时的bcc结构。     

Coherent spectroscopy of a strongly driven triple quantum dot molecule

Based on a calculation model,we study the interference phenomena of serially coupled V-type and Λ-type triple quantum dots (CTQDs) driven simultaneously by a strong driving field and a weak probe field.Strongly depending on the configuration of the three-level CTQD,the probe absorption spectra,which are shown in the tunneling current,exhibit various quantum coherence properties.In the case where the two pairs of transitions of the CTQD have a small eigenfrequency difference △ω,the double-coupling effect of the driving field results in two Autler-Townes doublets and one weak Mollow triplet in one spectrum.With the value of △ω increasing,only one Autler-Townes splitting remains due to the single-coupling of the field.We also find that the effect of spontaneous emission of phonons may lead to an obvious background current,which can be used to distinguish which transition is driven by the driving field in experiment.The interesting quantum property of a CTQD revealed in our results suggests its potential applications in quantum modulators and quantum logic devices.     

Transition from the Kondo effect to a Coulomb blockade in an electron shuttle

We investigate the effect of the mechanical motion of a quantum dot on the transport properties of a quantum dot shuttle.Employing the equation of motion method for the nonequilibrium Green’s function,we show that the oscillation of the dot,i.e.,the time-dependent coupling between the dot’s electron and the reservoirs,can destroy the Kondo effect.With the increase in the oscillation frequency of the dot,the density of states of the quantum dot shuttle changes from the Kondo-like to a Coulomb-blockade pattern.Increasing the coupling between the dot and the electrodes may partly recover the Kondo peak in the spectrum of the density of states.Understanding of the effect of mechanical motion on the transport properties of an electron shuttle is important for the future application of nanoelectromechanical devices.     

Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations

By molecular dynamics simulations employing an embedded atom method potential,we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001],[011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction,and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings,and the appearance of the hcp phase is due to the partial dislocation moving forward on {111} fcc family. For [011] loading,the hcp phase grows to form laminar morphology in four planes,which belong to the {111} fcc family; while for [111] loading,the hcp phase grows into a laminar structure in three planes,which belong to the {111} fcc family except for the (111) plane. In addition,the phase transition is evaluated by using the radial distribution functions.     

太赫兹量子级联激光器光束特性分析

用有限元法计算太赫兹量子级联激光器激光模式的阈值增益.结果表明:接触层厚度和掺杂浓度对阈值增益的影响远远大于波导宽度和激射波长;接触层厚度较小(大)和掺杂浓度较低(高)时,TM₁(TM₀)模的阈值增益较小.在此基础上,用矢量衍射理论分析岀射光束的远场特性,得到光束的远场光斑基本是椭圆;x方向的远场散射角随波导宽度或激射波长的增加分别线性减小或增加,尽管对应的接触层厚度和掺杂浓度不同,但TM₀和TM₁模x方向的远场散射角相同;另外,还得到y方向远场散射角不受波导宽度或少受激射波长的影响.在阈值增益和光束质量方面,TM₁模都优于TM₀模.     

AN EFFECTIVE TWO-LEVEL CHANNEL FOR AN IMPURITY IN A SUPERLATTICE

The eigenstates and eigenspectrum of a charged particle in a one-dimensional semiconductor superlattice with an impurity under the action of a dc electric field are investigated employing the single-band tight-binding model. We find that the system undergoes a series of avoided crossings, at which resonant oscillations between the impurity and its nearest neighbour occur if appropriate conditions are met, suggesting an effective two-level approximation. This phenomenon shows that introducing an impurity in a perfect lattice provides a promising structure for the observation of terahertz radiation.     

Dynamical properties of two-band superlattices with strong interband coupling in real space under the action of ac and dc－ac fields

Within a two-band tight-binding model driven by ac and dc－ac electric fields, using numerical methods, we investigate the dynamics of electrons and the quasi-energy spectrum of the system with strong interband coupling in real space. We find that when the bandwidth is suppressed to a value much smaller than the field frequency, the dynamical localization can exist in the system. The corresponding regions are found for the occurrence of dynamical localization in the parameter space.     

Molecular dynamics simulations of jet breakup and ejecta production from a grooved Cu surface under shock loading

Large-scale non-equilibrium molecular dynamics simulations are performed to explore the jet breakup and ejecta production of single crystal Cu with a triangular grooved surface defect under shock loading. The morphology of the jet breakup and ejecta formation is obtained where the ejecta clusters remain spherical after a long simulation time. The effects of shock strength as well as groove size on the steady size distribution of ejecta clusters are investigated. It is shown that the size distribution of ejecta exhibits a scaling power law independent of the simulated shock strengths and groove sizes. This distribution, which has been observed in many fragmentation processes, can be well described by percolation theory.