Dynamics of charge transfer at Au/Si metal-semiconductor nano-interface

An ab initio analysis of the periodic array of Au/Si nanostructure composed of gold clusters linked to silicon quantum dot (QD) co-doped by aluminium and phosphorus along [111] direction is presented in this paper. The density functional theory (DFT) is used to compute the electronic structure of the simulated system. Non-adiabatic coupling implemented in the form of dissipative equation of motion for reduced density matrix is used to study the phonon-induced relaxation in the simulated system. The density of states clearly shows that the formation of Au–Si bonds contributes states to the band gap of the model. Dynamics of selected photo-excitations shows that hole relaxation in energy and in space is much faster than electron relaxation, which is due to the higher density of states of the valence band.     

Maps and inverse maps in open quantum dynamics

Two kinds of maps that describe evolution of states of a subsystem coming from dynamics described by a unitary operator for a larger system, maps defined for fixed mean values and maps defined for fixed correlations, are found to be quite different for the same unitary dynamics in the same situation in the larger system. An affine form is used for both kinds of maps to find necessary and sufficient conditions for inverse maps. All the different maps with the same homogeneous part in their affine forms have inverses if and only if the homogeneous part does. Some of these maps are completely positive; others are not, but the homogeneous part is always completely positive. The conditions for an inverse are the same for maps that are not completely positive as for maps that are. For maps defined for fixed mean values, the homogeneous part depends only on the unitary operator for the dynamics of the larger system, not on any state or mean values or correlations. Necessary and sufficient conditions for an inverse are stated several different ways: in terms of the maps of matrices, basis matrices, density matrices, or mean values. The inverse maps are generally not tied to the dynamics the way the maps forward are. A trace-preserving completely positive map that is unital cannot have an inverse that is obtained from any dynamics described by any unitary operator for any states of a larger system.     

Strain rate effects on compressive behavior of covalently bonded CNT networks

In this study, strain rate effects on the compressive mechanical properties of randomly structured carbon nanotube (CNT) networks were examined. For this purpose, three-dimensional atomistic models of CNT networks with covalently-bonded junctions were generated. After that, molecular dynamics (MD) simulations of compressive loading were performed at five different strain rates to investigate the basic deformation characteristic mechanisms of CNT networks and determine the effect of strain rate on stress–strain curves. The simulation results showed that the strain rate of compressive loading increases, so that a higher resistance of specimens to deformation is observed. Furthermore, the local deformation characteristics of CNT segments, which are mainly driven by bending and buckling modes, and their prevalence are strongly affected by the deformation rate. It was also observed that CNT networks have superior features to metal foams such as metal matrix syntactic foams (MMSFs) and porous sintered fiber metals (PSFMs) in terms of energy absorbing capabilities.     

Investigation of ultrafast dynamics of CdTe quantum dots by femtosecond fluorescence up-conversion spectroscopy

The ultrafast carrier relaxation processes in CdTe quantum dots are investigated by femtosecond fluorescence upconversion spectroscopy.Photo-excited hole relaxing to the edge of the forbidden gap takes a maximal time of ～ 1.6 ps with exciting at 400 nm,depending on the state of the photo-excited hole.The shallow trapped states and deep trap states in the forbidden gap are confirmed for CdTe quantum dots.In addition,Auger relaxation of trapped carriers is observed to occur with a time constant of ～ 5 ps.A schematic model of photodynamics is established based on the results of the spectroscopy studies.Our work demonstrates that femtosecond fluorescence up-conversion spectroscopy is a suitable and effective tool in studying the transportation and conversion dynamics of photon energy in a nanosystem.     

Nonequilibrium molecular dynamics simulation of coupling between nanoparticles and base-fluid in a nanofluid

The intent of this study is to examine nonequilibrium heat transfer in a copper-argon nanofluid by molecular dynamics simulation. Two different methods, the physical definition method and the curve fitting method, are introduced to calculate the coupling factor between nanoparticles and base fluid. The results show that the coupling factors obtained by these two methods are consistent. The coupling factor is proportional to the volume fraction of the nanoparticle and inversely proportional to nanoparticle diameter. In the temperature range of 90-200 K, the coupling factor is not affected by temperature. The nanoparticle aggregation results in a decrease of the coupling factor.     

Reconstructing the relaxation dynamics induced by an unknown heat bath

In quantum state tomography, one potential source of error is uncontrolled contact of the system with a heat bath whose detailed properties are not known, and whose impact on the system moreover varies between different runs of the experiment. Precisely these variations provide a handle for reconstructing the system?s effective relaxation dynamics. I propose a pertinent estimation scheme which is based on a steepest-descent ansatz and maximum likelihood. After reconstructing the relaxation dynamics, the original quantum state of the system can be constrained to a curve in state space.     

ICP-MS法测定不同采收时间宽叶荨麻中微量元素含量

采用微波消解,ICP-MS法分析不同采收时间宽叶荨麻中18种微量元素Al,Ba,Ca,Co,Cr,Cu,Fe,K,Li,Mg,Mn,Mo,Na,Ni,P,Pb,S和Zn的含量。该方法的相对标准偏差在1.2%～5.3%之间,加标回收率在95.4%～101.2%之间。结果表明宽叶荨麻中K,P,S,Ca,Na含量较高;Fe,Mg,Mn,Zn含量次之;有潜在生理毒性的元素Al,Cr,Pb的含量较低,并且在宽叶荨麻中微量元素呈现明显的季节性动态变化,此结果为进一步研究宽叶荨麻药理药效与微量元素的关系以及更好的开发这一资源提供理论数据。     

DNA与组蛋白相互作用的布朗动力学研究

在真核生物中,DNA按左手手征性的方式,缠绕在组蛋白八聚体的周围,形成稳定的核小体结构.文章作者运用布朗动力学,数值模拟了DNA与组蛋白相互作用最终形成核小体的动力学过程,揭示了DNA与组蛋白相互作用的详细图景,并提出了组蛋白八聚体旋转模型,以解释这一过程.文章作者还计算了组成核小体的DNA在受到拉伸力时,组蛋白被从核小体中剥离下来的动力学过程,得到了组装和剥离过程的详细图像,给出了与前人单分子实验一致的拉伸力与拉伸长度的关系曲线和拉伸台阶.此外,还通过建立的组蛋白手征性模型,模拟了核小体手征性的形成过程,发现DNA的缠绕方向强烈依赖于组蛋白的手征性,显示出环境温度对核小体手征性有重要影响.     

Directed segregation in compartmentalized bi-disperse granular gas

A bi-disperse granular gas in an asymmetrical two-compartment system is studied experimentally.The presence of asymmetry within the range of our experimental parameters results in a directed segregated state and a directed clustering state.This deterministic system does not depend on the initial conditions.A modified flux model based on Lohse’s flux model for bi-disperse granular gases is derived.The modified flux model explains qualitatively the experimental results.     

Optical manipulation of coupled spins in magnetic semiconductor systems: A path toward spin optoelectronics

Experimental results based on the optical excitations in the III–V-based ferromagnetic semiconductors are reviewed. On the bases of results obtained by both cw- and femto-second-pulse optical excitation, we point out the feasibility of magnetization rotation in the hole-mediated ferromagnetic semiconductor (Ga,Mn)As via the angular momentum and photon energy of light. Here, p–d exchange interaction is the effective channel that transmits a small change in spin axis of the valence band to the ferromagnetically coupled Mn spin sub-system. Within the limit of this picture, we also discuss a hole–Mn spin complex for which hole and Mn spins rotate and relax together upon optical excitation. Partial magnetization reversal observed in the experiments of the electrical current injection in (Ga,Mn)As-based magnetic-tunnel-junction devices is also reviewed in view of the effects caused by the spin-polarized holes. Here, we point out that a spin current of 10⁵ A/cm² may be reduced further if spin injection efficiency can be improved by the optimal designs of the device structure.