Nonlinear elastic waves in a monatomic chain with nonlinear interaction

Nonlinear wave equation for a one-dimensional anharmonic crystal lattice in terms of its microscopic parameters is obtained by means of a continuum approximation. Using a small time scale transformation, the nonlinear wave equation is reduced to a combined KdV equation and its single soliton solution yields the supersonic kink form of nonlinear elastic waves for the system.

Observation of the resonant Raman behavior of individual single-walled carbon nanotubes

The different resonant Raman scattering process of single-walled carbon nanotubes (SWNTs) has been found between the Stokes and anti-Stokes sides of the radial breathing modes (RBMs), and this provides strong evidence that Raman spectra of some special diametric SWNTs are in resonance with their electronic transitions between the singularities in the one-dimensional electronic density of states in the valence and conduction bands, and other SWNTs axe beyond the resonant condition. Because of the coexistence of resonant and non-resonant Raman scattering processes for different diametric SWNTs, the relative intensity of each RBM does not reflect the proportion of a particular SWNT.

Extracting the Mechanical Properties of 1D Nanostructures from Nanoindentation

<正>The so-called one dimensional(1D) nanostructures or wirelike nanoentities,such as nanowire(NW),nanotube(NT),and nanobelt(NB) have attracted much interest in scientific community because of their remarkable mechanical,electrical,thermal properties and potential applications in wide variety of devices.The mechanical failure of 1D nanostructures can lead to the malfunction or even failure of entire device and 1D nanostructures may also have size-dependent properties. Therefore,an accurate measurement of their mechanical properties is of

Study on the Mechanism of Detonation to Quasi-detonation Transition

In this paper, the mechanism of detonation to quasi-detonation transition was discussed, a new physical model to simulate quasi-detonation was proposed, and one-dimensional theoretical and numerical simulation was conducted. This study firstly demonstrates that the quasi-detonation is of thermal choking. If the conditions of thermal choking are created by some disturbances, the supersonic flow is then unable to accept additional thermal energy, and the CJ detonation becomes the unstable quasi-detonation precipitately. The kinetic energy loss caused by this transition process is firstly considered in this new physical model. The numerical results are in good agreement with previous experimental observations qualitatively, which demonstrates that the quasi-detonation model is physically correct and the study are fundamentally important for detonation and supersonic combustion research.

Splitting the Fast and Slow Motions in Molecular Dynamics Simulations Based on the Change of Cold Potential Well Bottom

The atomic motion is coupled by the fast and slow components due to the high frequency vibration of atoms and the low frequency deformation of atomic lattice, respectively. A two-step approximate method was presented to determine the atomic slow motion. The first step is based on the change of the location of the cold potential well bottom and the second step is based on the average of the appropriate slow velocities of the surrounding atoms. The simple tensions of one-dimensional atoms and two-dimensional atoms were performed with the full molecular dynamics simulations. The conjugate gradient method was employed to determine the corresponding location of cold potential well bottom. Results show that our two-step approximate method is appropriate to determine the atomic slow motion under the low strain rate loading. This splitting method may be helpful to develop more efficient molecular modeling methods and simulations pertinent to realistic loading conditions of materials.

Transition from the exhibition to the nonexhibition of negative differential thermal resistance in the two-segment Frenkel-Kontorova model

An extensive study of the one-dimensional two-segment Frenkel-Kontorova FK model reveals a transition from the counterintuitive existence to the ordinary nonexistence of a negative-differential-thermal-resistance NDTR regime, when the system size or the intersegment coupling constant increases to a critical value. A “phase” diagram which depicts the relevant conditions for the exhibition of NDTR was obtained. In the existence of a NDTR regime, the link at the segment interface is weak and therefore the corresponding exhibition of NDTR can be explained in terms of effective phonon-band shifts. In the case where such a regime does not exist, the theory of phonon-band mismatch is not applicable due to sufficiently strong coupling between the FK segments. The findings suggest that the behavior of a thermal transistor will depend critically on the properties of the interface and the system size.

Neutron and proton diffusion in fusion reactions for the synthesis of superheavy nuclei

The restriction of the one dimensional (1D) master equation (ME) with the mass number of the projectile-like fragment as a variable is studied, and a two-dimensional (2D) master equation with the neutron and proton numbers as independent variables is set up, and solved numerically. Our study showed that the 2D ME can describe the fusion process well in all projectile-target combinations. Therefore the possible channels to synthesize super-heavy nuclei can be studied correctly in wider possibilities. The available condition for employing 1D ME is pointed out.

Methanol synthesis from CO2 using a silicone rubber/ceramic composite membrane reactor

A one-dimensional isothermal pseudo-homogeneous parallel flow model was developed for the methanol synthesis from CO2 in a silicone rubber/ceramic composite membrane reactor. The fourth-order Runge-Kutta method was adopted to simulate the process behaviors in the membrane reactor. How those parameters affect the reaction behaviors in the membrane reactor, such as Damkohler number Da, pressure ratio p(r), reaction temperature T, membrane separation factor alpha, membrane permeation parameter phi , as well as the non-uniform parameter of membrane permeation L-1, were discussed in detail. Parts of the theoretical results were tested and verified; the experimental results showed that the conversion of the main reaction in the membrane reactor increased by 22% against traditional fixed bed reactor, and the optimal non-uniform parameter of membrane permeation rate, L-1.opt ,does exist. (C) 2003 Elsevier B.V All rights reserved.

基于SHAW模型的黄土高原半干旱区农田土壤水分动态模拟

黄土高原半干旱区土壤蒸发强烈,准确地掌握土壤水分动态对于旱地农业水分管理至关重要。应用基于物理基础的一维水热耦合SHAW(The Simultaneous Heat and Water)模型,模拟了陕西子洲岔巴沟流域1964~1967年土壤水分和土壤蒸发的动态特征,以及神木六道沟流域2006年坡地和梯田土壤水分变化。结果表明,除表层土壤水分模拟结果偏差较大,其他土层模拟值与实测值基本吻合,模拟期土壤水分模拟的相对平均绝对误差(Relatively Mean Absolutely Error,RMAE)为5.2%~11.4%。1964~1967年土壤累积蒸发量模拟值与实测值平均相对偏差为0.8%~6.1%,土壤蒸发的模拟值与实测值较为一致。因此,SHAW模型可以用于黄土高原半干旱区农田土壤水分动态规律研究。

推求土壤水分运动参数的简单入渗法 I.理论分析

预报非饱和土壤水分运动必须首先获得土壤水分运动参数。土壤水分运动参数包括土壤水分特征曲线和导水率。本文使用积分方法求解了一维水平非饱和土壤水分运动问题，根据其解建立了推求非饱和土壤水分运动参数的简单入渗法，用以推求ｖａｎ Ｇｅｎｕｃｈｔｅｎ特征曲线模型中的参数α和ｎ。α和ｎ是根据湿润区的特征长度、吸渗率和土壤的饱和导水率（ｋｓ）来确定的，而非饱和导水率可由α、ｎ和Ｋｓ确定。这一新的简单入渗法是基于Ｒｉｃｈａｒｄｓ方程和土壤导水特征的闭合型方程。简单入渗法提供了利用瞬态水流方法来确定土壤水分特征曲线而替代通常的平衡法。简单入渗法是一个全新的、简捷的确定土壤导水特性的方法。