Stationary polaron motion in a polymer chain at high electric fields

We study the stationary motion of a polaron in a conducting polymer in the presence of a high electric field. Using the Su-Schrieffer-Heeger model plus an electric field, we find that at polaron velocities not exceeding the sound velocity, the dissipation of the electronic energy into the lattice occurs via emission of phonons with single selected wave vector. For this case the corresponding contribution to the polaron mobility can be calculated analytically. We discuss the issue of the polaron stability with respect to dissociation in a very high field at supersonic velocities.     

Effect of Temperature on Polaron Stability in a One-Dimensional Organic Lattice

Effect of temperature on the polaron stability in a one-dimensional organic lattice is investigated within the Su-Schrieffer-Heeger model. The temperature effect is simulated by introducing random forces to the equation of the lattice motion. It is found that the localized polaron state becomes delocalized even at low temperatures. The time of polaron keeping localized depends on the magnitude of temperatures. By taking into account the thermal effect, we find that the dissociation field is weaker as compared with earlier works.     

相对转动运动学方程的级数解

为解决相对转动体非线性运动微分方程的计算难题，构造了一种级数解耦方法，把微分方程转化为代数方程求解，得到了相对转动体运动方程的级数解.据此可以计算工程应用中稳态相对转动体的真实转速波动.同时该法可实现测控标定仪器的转动体匀速旋转时的不均匀性测量误差分离，也为大型复杂重型旋转轴系在线实时扭振监测提供了高效算法. 关键词： 相对转动 运动学方程 速度波动 级数解     

声子和温度对球型量子点中极化子性质的影响

采用求解能量本征方程、幺正变换及变分相结合的方法,研究声子和温度对球型量子点中极化子性质的影响。数值计算表明,声子效应导致极化子的基态能量低于电子能量,且极化子基态能量随电子—声子耦合强度的增大而降低。数值计算还表明,温度较低时,声子不会被激发,极化子的基态能量不随温度而变;温度较高时,声子会被激发,导致极化子能量随温度升高而增大。     

Electron motion in a Holstein molecular chain in an electric field

A charge motion in an electric field in a Holstein molecular chain is modeled in the absence of dissipation. It is shown that in a weak electric field a Holstein polaron moves uniformly experiencing small oscillations of its shape. These oscillations are associated with the chain’s discreteness and caused by the presence of Peierls-Nabarro potential there. The critical value of the electric field intensity at which the moving polaron starts oscillating at Bloch frequency is found. It is shown that the polaron can demonstrate Bloch oscillations retaining its shape. It is also shown that a breathing mode of Bloch oscillations can arise. In all cases the polaron motion along the chain is infinite.     

声子和温度对球型量子点中极化子性质的影响

采用求解能量本征方程、幺正变换及变分相结合的方法,研究声子和温度对球型量子点中极化子性质的影响.数值计算表明,声子效应导致极化子的基态能量低于电子能量,且极化子基态能量随电子-声子耦合强度的增大而降低.数值计算还表明,当温度较低,使得电子热运动能量小于声子能量时,声子不会被激发,极化子的基态能量不随温度的变化而变化;在温度较高,使得电子热运动能量大于声子能量时,电子和晶格热运动加剧,更多的声子被激发.极化子的基态能量随温度的升高而增大.     

Photoinduced quantum interference antiresonances in pi-conjugated polymers

We observed photoinduced quantum interference antiresonances between several discrete infrared-active vibrations and the lower-polaron continuous absorption band in a series of pi-conjugated polymer films having superior planar orders, where the polaron transition energy is relatively small. The photoinduced Fano-type antiresonances are well explained by extending the amplitude mode model beyond the adiabatic limit. The agreement between the data and the model confirms the presence of a continuous electronic band above the polaron state. We show that high frequency modes are strongly coupled to electrons, with implications for superconductivity.     

合成冷/热射流控制超声速边界层流动稳定性

为了探究超声速边界层流动稳定性及其转捩控制机理,提出基于合成冷/热射流的边界层速度-温度耦合控制方法,并通过数值模拟研究了Ma=4.5超声速平板边界层不稳定波的传播,采用线性稳定性理论中的时间模式分析了壁面吹吸、射流温度、扰动频率、扰动振幅等对不稳定波控制效果的影响.结果表明:无射流控制时,边界层内同时存在不稳定的第一模态扰动波和第二模态扰动波,且二维波形式的第二模态占主导地位;壁面吹吸作用下,仅出现更加不稳定的第二模态,第一模态被抑制;速度-温度耦合控制下,射流温度对扰动模态的不稳定区域大小及扰动增长率影响显著,射流温度与来流温度不同时,温度的脉动使得流动转捩为湍流的速度加快,边界层速度型更加饱满,抗干扰能力增强,流动稳定性提高;高频的吹吸扰动对流场的控制效果优于低频扰动,扰动频率超过400 Hz时,第二模态扰动波时间增长率降低,扰动分量对边界层速度剖面和温度剖面的修正加快,第二模态更加稳定;扰动振幅减小为主流速度的1%时,仅出现时间增长率较小的第二模态,控制效果较好,进一步减小时,第一模态重新出现,并且波数范围与第二模态先重合后分离,对应的时间增长率先增加后减小.研究结果为边界层转捩控制技术提供了新的思路.     

Dynamics of polaron in a polymer chain with impurities

In a polymer chain, an extra electron or hole distorts the chain to form a charged polaron, which is the charge carrier being responsible for conductivity. When an intermediate-strength electric field is applied, the polaron will be accelerated for a short time and then move at a constant velocity. The dynamical process of polaron in a polymer chain with impurities is simulated within a non-adiabatic evolution method, in which the electron wave function is described by the time-dependent Schrödinger equation while the polymer lattice is treated classically by a Newtonian equation of motion. We have considered two kinds of dynamical processes, one is the field-induced depinning of a charged polaron, which is initially bound by an attractive impurity; and the other is the scattering of a polaron from an impurity. In the former process, the charged polaron will depart from the attractive impurity only for the applied field with strength over a threshold, otherwise, the polaron will oscillate around the impurity. In the latter process, the charged polaron moves through the impurity in the presence of an electric field while it will be bounced back for a repulsive impurity or trapped to oscillate around an attractive impurity in the case that the applied electric field is weak and just be present for the polaron acceleration.Received: 4 June 2004, Published online: 14 December 2004PACS: 71.38.-k Polarons and electron-phonon interactions - 72.80.Le Polymers; organic compounds (including organic semiconductors)     

Novel states of electrons on a helium film

Three novel states of electrons on a helium film are described. The first is a diplon, an electron trapped by a positive charge located on a substrate beneath the film, the second is a variation of the first leading to the possibility of a two-dimensional metal-insulator transition, and the third is a ripplonic polaron, an electron self-trapped in a surface dimple. From a survey of experimental searches for the ripplonic polaron state I conclude that no polaron transition occurs on films thicker than 14 nm at T>1.5 K.     

Electron transport via local polarons at interface atoms

Electronic transport is profoundly modified in the presence of strong electron-vibration coupling. We show that in certain situations, the electron flow takes place only when vibrations are excited. By controlling the segregation of boron in semiconducting Si(111)-square root 3 x square root 3 R 30 degrees surfaces, we create a type of adatom with a dangling-bond state that is electronically decoupled from any other electronic state. However, probing this state with scanning tunnelling microscopy at 5 K yields high currents. These findings are rationalized by ab-initio calculations that show the formation of a local polaron in the transport process.     

Spherical and non-spherical bubbles in cosmological phase transitions

The cosmological remnants of a first-order phase transition generally depend on the perturbations that the walls of expanding bubbles originate in the plasma. Several of the formation mechanisms occur when bubbles collide and lose their spherical symmetry. However, spherical bubbles are often considered in the literature, in particular for the calculation of gravitational waves. We study the steady state motion of bubble walls for different bubble symmetries. Using the bag equation of state, we discuss the propagation of phase transition fronts as detonations and subsonic or supersonic deflagrations. We consider the cases of spherical, cylindrical and planar walls, and compare the energy transferred to bulk motions of the relativistic fluid. We find that the different wall geometries give similar perturbations of the plasma. For the case of planar walls, we obtain analytical expressions for the kinetic energy in the bulk motions. As an application, we discuss the generation of gravitational waves.     

二维声学极化子的基态能量和有效质量

自陷电子对了解光电材料的光学性质非常重要.近些年来,形变晶格中电子自陷的问题受到研究人员的广泛关注.电子既与声学模耦合,也与光学模相互作用,但电子由自由态向自陷态的转变缘于近程的电子-声学声子耦合.研究表明:声学极化子在大多数半导体以及Ⅲ-Ⅴ族化合物,甚至碱卤化物中都不可能自陷.另一方面,电子-声子耦合在束缚结构,如二维、一维系统中,会有所增强.换言之,电子在低维结构中更容易自陷.Farias等人指出:声学极化子在二维系统中自陷的临界电子-声子耦合常数为定值,不随声子截止波矢的变化而改变.这种结论在物理上不尽合理.通过计算二维系统中的声学极化子基态能量和有效质量,讨论了二维声学极化子自陷问题.研究发现,二维声学极化子自陷转变的临界耦合常数随声子截止波矢的增加朝电子-声子耦合较弱的方向变化.这一特征与前人关于体和表面极化子研究获得的结论定性一致.所得二维声学极化子基态能量的表达式与Farias等人一致,但自陷的结果与Farias等人的结果在定性和定量上均有不同,我们认为Farias等人关于二维声学极化子自陷转变点的确定方式有不妥之处.通过改进自陷转变点的确定方式,得到了在物理上更合理的结果.     

A real decoupled method and free interface component mode synthesis methods for generally damped systems

This paper reports on the development of a new transformation method. In contrast to most existing mode transformation methods in which the first-order state-space equation of the damped vibration system is transformed into a decoupled form with complex coefficient matrices, using the decoupled method presented in this paper, the equation of the damped system can be decomposed into a decoupled equation with real coefficient matrices. Two new free interface component mode synthesis methods are also presented. The equivalent full-mode matrix of the damped structure is used to capture the effects of the higher-order modes. Additionally, this work modifies the compatibility conditions at the junctions that are employed in most of the previous component mode synthesis methods for generally damped systems. The first component mode synthesis method is performed in complex space, whereas the second method can be applied in real space. Because the coefficient matrices of the coupled equation constructed by the second component mode synthesis method are all real-valued, the solution of the eigenproblem for this coupled equation can be performed in real space as well. Additionally, numerical examples demonstrate the accuracy and validity of these two component mode synthesis methods.     

Effect of temperature on polaron dynamics in poly-DNA

We investigate the effect of temperature on polaron dynamics in the framework of a tight-binding model. The dissociation of a polaron will become fast with the increase of temperature. There exists a crossover of the charge localization time from strong to weak temperature-dependence. Instead of the uniform motion at zero temperature, a polaron moves un-uniformly under a driven field at a finite temperature, which indicates a discrete hopping between base pairs. It is also found that the polaron motion is thermally activated. A high temperature will result in a fast movement of a polaron under a deriving field.     

Holstein极化子能带和有效质量的温度依赖性

使用正则变换方法,考察了一维Holstein极化子能带和有效质量的温度依赖性。结果表明,对于一定的电子声子耦合强度,Holstein极化子能带宽度随温度升高而变窄,有效质量随温度升高而增大。特别是当电子声子耦合强度足够大时,极化子能带宽度在很小的温度范围内会迅速地变为零,我们认为这种情况实际上是极化子从能带状态向自陷局域态的迅速转变,这与通常的相变现象有点相类似。当电子声子耦合常数越大时,极化子有效质量随温度的升高而增加得越快。很显然,研究电子声子相互作用,对理解固体的光学和输运等性质将有重要的意义。     

外电场作用下纤锌矿氮化物抛物量子阱中极化子能级

The energy levels of a polaron in a wurtzite nitride finite parabolic quantum well (PQW)are studied by a modified Lee-Low-Pines variational method. The ground state of the polaron, the transition energy from first exited state to the ground state and the 关键词： 氮化物抛物量子阱 电子-声子相互作用 极化子     

The ground-state lifetime of polaron in a parabolic quantum dot

This paper reports that the ground-state energy of polaron was obtained with strong electron-LO-phonon coupling by using a variational method of the Pekar type in a parabolic quantum dot. Quantum transition is occurred in the quantum system due to the electron-phonon interaction and the influence of temperature. That is the polaron transit from the ground-state to the first-excited state after absorbing a LO-phonon and it causes the change of the polaron lifetime. Numerical calculations are performed and the results illustrate that the ground-state lifetime of the polaron will increase with increasing the ground-state energy of polaron and decrease with increasing the electron-LO-phonon coupling strength, the confinement length of the quantum dot and the temperature.     

Detonation simulations in supersonic flow under circumstances of injection and mixing

The unsteady, reactive Navier-Stokes equations with a detailed chemical mechanism of 11 species and 27 steps were employed to simulate the mixing, flame acceleration and deflagration-to-detonation transition (DDT) triggered by transverse jet obstacles. Results show that multiple transverse jet obstacles ejecting into the chamber can be used to activate DDT. But the occurrence of DDT is tremendously difficult in a non-uniform supersonic mixture so that it required several groups of transverse jets with increasing stagnation pressure. The jets introduce flow turbulence and produce oblique and bow shock waves even in an inhomogeneous supersonic mixture. The DDT is enhanced by multiple explosion points that are generated by the intense shock wave focusing of the leading flame front. It is found that the partial detonation front decouples into shock and flame, which is mainly caused by the fuel deficiency, nevertheless the decoupled shock wave is strong enough to reignite the mixture to detonation conditions. The resulting transverse wave leads to further mixing and burning of the downstream non-equilibrium chemical reaction, resulting in a high combustion temperature and intense flow instabilities. Additionally, the longitudinal and transverse gradients of the non-uniform supersonic mixture induce highly dynamic behaviors with sudden propagation speed increase and detonation front instabilities.     

Criterion for formation of the first bound state of an optical polaron

The ground state of an optical polaron has been analyzed for an arbitrary force of the electron-phonon coupling. The eigenvalue differential equation is transformed into the Fredholm integral equation. With the trace method applied to the kernel of integral equation, it is found that the first bound state of the optical polaron appears only provided that the dimensionless coupling constant obeys the inequality α_c≥2.8.