单势阱粒子溢流模型中热力学量的涨落效应

采用相空间积分方法严格导出了各态历经条件下单势阱粒子溢流模型中系统温度和阱内粒子数涨落的解析表达式,着重讨论了热力学量涨落与总粒子数和势阱体积之间的关系.研究表明,系统总粒子数越少以及势阱体积越小,热力学涨落越显著,并且热力学涨落与阱内粒子的溢出密切相关.粒子的溢出和系统负比热及热力学大幅涨落的发生存在一一对应的关系,这一对应关系的根源可以从表观能量逆均分来理解.     

负折射率材料对产生Casimir排斥力的影响

研究了负折射率材料对产生Casimir排斥效应的影响. 两材料板间的Casimir排斥力的发生取决于两板以及其间媒质的电磁特性,通过理论与数值结果的分析研究给出电磁特性所影响排斥力的产生趋势. 对于由Drude-Lorentz型色散关系描述等效介电常数和磁导率的负折射率材料,调节各特征频率参数可实现Casimir排斥效应. 关键词： Casimir排斥力 负折射率材料 Drude-Lorentz型色散关系     

Band gap control of phononic beam with negative capacitance piezoelectric shunt

Periodic arrays of negative capacitance shunted piezoelectric patches are employed to control the band gaps of phononic beams. The location and the extent of induced band gap depend on the mismatch in impedance generated by each patch. The total impedance mismatch is determined by the added mass and stiffness of each patch as well as the shunting electrical impedance. Therefore, the band gap of the shunted phononic beam can be actively tuned by appropriately selecting the value of negative capacitance. The control of the band gap of phononic beam with negative capacitive shunt is demonstrated numerically by employing transfer matrix method. The result reveals that using negative capacitive shunt to tune the band gap is effective.     

Solvable models of temporally correlated random walk on a lattice

We seek the conditional probability functionP(m,t) for the position of a particle executing a random walk on a lattice, governed by the distributionW(n, t) specifying the probability ofn jumps or steps occurring in timet. Uncorrelated diffusion occurs whenW is a Poisson distribution. The solutions corresponding to two different families of distributionsW are found and discussed. The Poissonian is a limiting case in each of these families. This permits a quantitative investigation of the effects, on the diffusion process, of varying degrees of temporal correlation in the step sequences. In the first part, the step sequences are regarded as realizations of an ongoing renewal process with a probability densityψ(t) for the time interval between successive jumps.W is constructed in terms ofψ using the continuous-time random walk approach. The theory is then specialized to the case whenψ belongs to the class of special Erlangian density functions. In the second part,W is taken to belong to the family of negative binomial distributions, ranging from the geometric (most correlated) to the Poissonian (uncorrelated). Various aspects such as the continuum limit, the master equation forP, the asymptotic behaviour ofP, etc., are discussed.     

Binding energy and fine structure of the He- ion

The variational method using a multiconfiguration wavefunction is carried out on the core-excited state 1s2s2p 4P0 for helium negative ion,including mass polarization and relativistic corrections.Binding energy and fine structure are reported.The results are compared with other theoretical and experimental date in the literature.     

Restrictions on negative energy density for the Dirac field in flat spacetime

This paper investigates the quantum Dirac field in n+1-dimensional flat spacetime and derives a lower bound in the form of quantum inequality on the energy density averaged against spacetime sampling functions. The state-independent quantum inequality derived in the present paper is similar to the temporal quantum energy inequality and it is stronger for massive field than for massless one. It also presents the concrete results of the quantum inequality in 2 and 4-dimensional spacetimes.     

Reaction of OH radical and ozone with methyl salicylate – a DFT study

A theoretical study on the reaction mechanism of methyl salicylate (MeSA), a green leaf volatile organic compound with OH radical and ozone, has been carried out using density functional theory methods using B3LYP, M06‐2X and MPW1K functionals with 6‐311++G(d,p) basis set. The atmospheric degradation pathways of MeSA with OH radical are studied under two different pathways, viz. H‐atom abstraction and electrophilic addition of OH radical. The hydrogen abstraction from –OH group is found to be the dominant reaction channel with small barrier height. Likewise, the electrophilic addition of OH radicals at the para position of MeSA is found to be favourable rather than the ortho and meta positions because of the small barrier height. However, the reaction of MeSA with respect to the addition of O₃ is initiated only through the cycloaddition to the C?C bond, resulting in primary ozonide. The Arrhenius plot for most of the addition reaction shows positive temperature dependence, while for the abstraction reaction, it exhibits negative temperature dependence over the temperature range of 278–350 K. The calculated theoretical rate constants are in good agreement with available experimental data. Overall, the addition of both OH radical and ozone possesses ability to degrade MeSA, but slower when compared with the Cl radical. Copyright © 2015 John Wiley & Sons, Ltd.     

负折射指数物质中金属线对电磁波的影响

构造两种结构负折射指数物质(NRM)，利用数值模拟计算两种结构的S参数.由于这种结构尺度比波长小，为精确利用有限积分技术(FIT)进行模拟.通过对这两种结构中金属线位置变化对金属谐振频率影响进行模拟，最后得出由于金属线与谐振环耦合，金属线对称破缺影响谐振环谐振频率和通带，并对等效负折射指数为负的频带产生影响. 关键词： 负折射率 左手物质 通带 金属线对称破缺