Schottky Barrier Formation at a Carbon Nanotube-Scandium Junction

Recent experiment shows that scandium （Sc） can make a good performance contact with carbon nanotubes （CNTs） to fabricate n-type field effect transistor （n-FET）. We study the Schottky barrier （SB） of scandium （Sc） and palladium （Pd） with a （8,0） single-wall CNT （SWCNT） using first-principles calculation. It is found that the p-type SB height （SBH） of the Pd-CNT contact is about 0.34 eV, which is in good agreement with the experimental data. For the Sc-CNT contact, an n-type contact is formed and the SBH is about O.08eV in agreement with the experimental observations. Our calculation demonstrates that by contacting CNT with Pd and Sc, p-FET and n-FET can be fabricated, respectively. The dipole effect at the interface is used to explain our result.     

Molecular Dynamics Simulation of Icosahedral Transformations in Solid Cu-Co Clusters

We study the icosahedral transformations of solid Cu Co clusters with different initial configurations by using molecular dynamics with the embedded atom method. It is found that the formation of symmetric icosahedral cluster is strongly related to the atomic number and initial configuration. The transformation originates from the surface into the interior of the cluster and is a structural change which is rapid and diffusionless. The icosahedral clusters with any composition and configuration, such as core-shell or three-shell duster, can be prepared by the means of solid-solid phase transition in bimetallic clusters.     

Identification of Acceptor States in Li-N Dual-Doped p-Type ZnO Thin Films

Li-N dual-doped p-type ZnO （ZnO：（Li, N）） thin films are prepared by pulsed laser deposition. The optical properties are studied using temperature-dependent photoluminescence. The Lizn-No complex acceptor with an energy 1evel of 138 me V is identified from the free-to-neutral-acceptor （e, A0 ） emission. The Haynes factor is about 0.087 for the Lizn-No complex acceptor, with the acceptor bound-exciton binding energy of 12meV. Another deeper acceptor state located at 248 meV, also identified from the （e, A0） emission, is attributed to zinc vacancy acceptor. The two acceptor states might both contribute to the observed p-type conductivity in ZnO：（Li,N）.     

Optical Properties of Hexagonal and Cubic ZnS Nanoribbons: Experiment and Theory

Optical properties of hexagonal and cubic ZnS nanoribbons are studied by using valence electron energy loss spectroscopy （VEELS） and ab initio band structure calculations. The peaks in VEELS are assigned to interband transitions by comparing the interband transition strengths with the calculated densities of states. The optical properties are deduced from the experimental VEELS, and the theoretical calculations give consistent results. This combination of experimental and theoretical approaches provides a comprehensive understanding of the optical properties of polytype ZnS.     

分子动力学模拟壁面附近流体特性及降温过程

采用三相模型计算结果表明:近壁区内流体密度呈现出"层状化"的特点,切向应力张量呈"振荡"分布;固液界面张力随温度增加而降低;进一步增强壁面浸润性,固液界面张力变化不大;同温壁面对近壁区流体特性的影响较大,近壁区之外的流体特性与两相模型吻合较好.降低壁面温度的模拟表明,当温差减小时,传热量减小,界面接触热阻占主导地位.     

Lifetime measurements in chiral nucleus 130Cs

The level lifetimes in partner bands of 130Cs have been measured using the Doppler Shift Attenuation method. The high-spin states of 130Cs were populated via fusion evaporation reaction 124Sn(11B,5n)130Cs at a beam energy of 65 MeV. The absolute M1 and E2 transition probabilities have been deduced. The results indicate that the partner bands of 130Cs manifest the chiral properties.     

Physical calculation for an X-band hybrid dielectric-iris-loaded accelerator

A small, high performance X-band hybrid dielectric-iris-loaded travelling-wave linac with the length of 1.47 m and the maximum accelerating gradient of 45 MV/m has been designed. The beam energy of 33 MeV, the energy spread of 0.5%, the beam emittance of about 5.7 πmm·mrad and the capture efficiency of 40% are reached by adjusting the sizes of the accelerating cavities and the phase velocity. The attenuation per unit length of structure, the shunt impedance Rs, the quality factor Q, the group velocity and the phase velocity are also presented.     

化学特征指纹技术在溢油鉴别研究的应用进展

从模糊聚类分析法、油指纹配比法、主要物质分析法等方面介绍了化学特征指纹图谱技术在鉴别溢油源研究方面的进展。     

Analysis of a Novel Ka-band Folded Waveguide Amplifier for Traveling-Wave Tubes

A novel Ka-band folded waveguide （FW） amplifier for traveling wave tubes （TWT） is investigated. The dispersion curve and interaction impedance are obtained and compared to the normal FW circuit by numerical simulation. The interaction impedance is higher than a normal circuit through the whole band. We also study the beamwave interaction in this novel circuit, and the nonlinear large-signal performance is analyzed by a 3-D particlein-cell code MAGIC3D. A much higher continuous-wave （CW） output power with a considerably shorter circuit compared to a normal circuit is predicted by our simulation. Moreover, the novel FW even has a broader 3-dB bandwidth. It therefore will be useful in designing a miniature but high-power and broadband millimeter-wave TWT.     

Derivative of Electron Density in Non-Equilibrium Green's Function Technique and Its Application to Boost Performance of Convergence

The non-equilibrium Green＇s function （NEGF） technique provides a solid foundation for the development of quantum mechanical simulators. However, the convergence is always of great concern. We present a general analytical formalism to acquire the accurate derivative of electron density with respect to electrical potential in the framework of NEGF. This formalism not only provides physical insight on non-local quantum phenomena in device simulation, but also can be used to set up a new scheme in solving the Poisson equation to boost the performance of convergence when the NEGF and Poisson equations are solved self-consistently. This method is illustrated by a simple one-dimensional example of an N＋＋ N＋ N＋＋ resistor. The total simulation time and iteration number are largely reduced.