Microscopic three-body forces and kaon condensation in cold neutrino-trapped matter

We investigate the composition and the equation of state of the kaon condensed phase in neutrino-free and neutrino-trapped star matter within the framework of the Brueckner-Hartree-Fock approach with three-body forces. We find that neutrino trapping shifts the onset density of kaon condensation to a larger baryon density, and reduces considerably the kaon abundance. As a consequence, when kaons are allowed, the equation of state of neutrino-trapped star matter becomes stiffer than the one of neutrino free matter. The effects of different three-body forces are compared and discussed. Neutrino trapping turns out to weaken the role played by the symmetry energy in determining the composition of stellar matter, and thus reduces the difference between the results obtained by using different three-body forces.

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.

基于量子蒙特卡罗的地震波反演方法

The primary approaches for people to understand the inner properties of the earth and the distribution of the mineral resources are mainly coming from surface geology survey and geophysical/geochemical data inversion and interpretation. The purpose of seismic inversion is to extract information of the subsurface stratum geometrical structures and the distribution of material properties from seismic wave which is used for resource prospecting, exploitation and the study for inner structure of the earth and its dynamic process. Although the study of seismic parameter inversion has achieved a lot since 1950s, some problems are still persisting when applying in real data due to their nonlinearity and ill-posedness. Most inversion methods we use to invert geophysical parameters are based on iterative inversion which depends largely on the initial model and constraint conditions. It would be difficult to obtain a believable result when taking into consideration different factors such as environmental and equipment noise that exist in seismic wave excitation, propagation and acquisition. The seismic inversion based on real data is a typical nonlinear problem, which means most of their objective functions are multi-minimum. It makes them formidable to be solved using commonly used methods such as general-linearization and quasi-linearization inversion because of local convergence. Global nonlinear search methods which do not rely heavily on the initial model seem more promising, but the amount of computation required for real data process is unacceptable. In order to solve those problems mentioned above, this paper addresses a kind of global nonlinear inversion method which brings Quantum Monte Carlo (QMC) method into geophysical inverse problems. QMC has been used as an effective numerical method to study quantum many-body system which is often governed by Schrödinger equation. This method can be categorized into zero temperature method and finite temperature method. This paper is subdivided into four parts. In the first one, we briefly review the theory of QMC method and find out the connections with geophysical nonlinear inversion, and then give the flow chart of the algorithm. In the second part, we apply four QMC inverse methods in 1D wave equation impedance inversion and generally compare their results with convergence rate and accuracy. The feasibility, stability, and anti-noise capacity of the algorithms are also discussed within this chapter. Numerical results demonstrate that it is possible to solve geophysical nonlinear inversion and other nonlinear optimization problems by means of QMC method. They are also showing that Green’s function Monte Carlo (GFMC) and diffusion Monte Carlo (DMC) are more applicable than Path Integral Monte Carlo (PIMC) and Variational Monte Carlo (VMC) in real data. The third part provides the parallel version of serial QMC algorithms which are applied in a 2D acoustic velocity inversion and real seismic data processing and further discusses these algorithms’ globality and anti-noise capacity. The inverted results show the robustness of these algorithms which make them feasible to be used in 2D inversion and real data processing. The parallel inversion algorithms in this chapter are also applicable in other optimization. Finally, some useful conclusions are obtained in the last section. The analysis and comparison of the results indicate that it is successful to bring QMC into geophysical inversion. QMC is a kind of nonlinear inversion method which guarantees stability, efficiency and anti-noise. The most appealing property is that it does not rely heavily on the initial model and can be suited to nonlinear and multi-minimum geophysical inverse problems. This method can also be used in other filed regarding nonlinear optimization.

The Uniaxial Tensile Deformation of Ni Nanowire: Atomic-Scale Computer Simulations

The mechanical deformations of nickel nanowire subjected to uniaxial tensile strain at 300 K are simulated by using molecular dynamics with the quantum corrected Sutten-Chen many-body force field. We have used common neighbor analysis method to investigate the structural evolution of Ni nanowire during the elongation process. For the strain rate of 0.1%/ps, the elastic limit is up to about 11% strain with the yield stress of 8.6 GPa. At the elastic stage, the deformation is carried mainly through the uniform elongation of the distances between the layers (perpendicular to the Z-axis) while the atomic structure remains basically unchanged. With further strain, the slips in the {111} planes start to take place in order to accommodate the applied strain to carry the deformation partially, and subsequently the neck forms. The atomic rearrangements in the neck region result in a zigzag change in the stress-strain curve; the atomic structures beyond the region, however, have no significant changes. With the strain close to the point of the breaking, we observe the formation of a one-atom thick necklace in Ni nanowire. The strain rates have no significant effect on the deformation mechanism, but have some influence on the yield stress, the elastic limit, and the fracture strain of the nanowire.

Size effects on the melting of nickel nanowires: a molecular dynamics study

The melting process of nickel nanowires are simulated by using molecular dynamics with the quantum Sutten-Chen many-body force field. The wires studied were approximately cylindrical in cross-section and periodic boundary conditions were applied along their length; the atoms were arranged initially in a face-centred cubic structure with the [0 0 1] direction parallel to the long axis of the wire. The size effects of the nanowires on the melting temperatures are investigated. We find that for the nanoscale regime, the melting temperatures of Ni nanowires are much lower than that of the bulk and are linear with the reciprocal of the diameter of the nanowire. When a nanowire is heated up above the melting temperature, the neck of the nanowire begins to arise and the diameter of neck decreases rapidly with the equilibrated running time. Finally, the breaking of nanowire arises, which leads to the formation of the spherical clusters. (C) 2004 Elsevier B.V. All rights reserved.

Molecular dynamics studies on the dislocation gliding near a tilt boundary

The gliding behavior of edge dislocation near a grain boundary(QB) in copper under pure shear stresses is simulated by using molecular dynamics(MD) method. Many-body potential incorporating the embedded atom method (EAM) is used. The critical shear stresses for a single disocation to pass across GB surface are obtained at values of sigma(c)=23MPa similar to 68 MPa and 137 MPa similar to 274 MPa for Sigma=165 small angle tilt GB at 300 K and 20 K, respectively. The first result agrees with the experimental yield stress sigma(y)(=42 MPa) quite well. It suggests that there might be one of the reasons of initial plastic yielding caused by single dislocation gliding across GB. In addition, there might be possibility to obtain yield strength from microscopic analysis. Moreover, the experimental value of sigma(y) at low temperature is generally higher than that at room temperature. So, these results are in conformity qualitatively with experimental fact. On the other hand, the Sigma=25 GB is too strong an obstacle to the dislocation. In this case, a dislocation is able to pass across GB under relatively low stress only when it is driven by other dislocations. This is taken to mean that dislocation pile-up must be built up in front of this kind of GB, if this GB may take effect on the process of plastic deformation.

Mechanisms underlying two kinds of surface effects on elastic constants

ABSTRACT Recently, people are confused with two opposite variations of elastic modulus with decreasing size of nano scale sample: elastic modulus either decreases or increases with decreas- ing sample size. In this paper, based on intermolecular potentials and a one dimensional model, we provide a unified understanding of the two opposite size effects. Firstly, we analyzed the mi- crostructural variation near the surface of an fcc nanofilm based on the Lennard-Jones potential. It is found that the atomic lattice near the surface becomes looser in comparison with the bulk, indicating that atoms in the bulk are located at the balance of repulsive forces, resulting in the decrease of the elastic moduli with the decreasing thickness of the film accordingly. In addition, the decrease in moduli should be attributed to both the looser surface layer and smaller coor- dination number of surface atoms. Furthermore, it is found that both looser and tighter lattice near the surface can appear for a general pair potential and the governing mechanism should be attributed to the surplus of the nearest force to all other long range interactions in the pair po- tential. Surprisingly, the surplus can be simply expressed by a sum of the long range interactions and the sum being positive or negative determines the looser or tighter lattice near surface re- spectively. To justify this concept, we examined ZnO in terms of Buckingham potential with long range Coulomb interactions. It is found that compared to its bulk lattice, the ZnO lattice near the surface becomes tighter, indicating the atoms in the bulk located at the balance of attractive forces, owing to the long range Coulomb interaction. Correspondingly, the elastic modulus of one- dimensional ZnO chain increases with decreasing size. Finally, a kind of many-body potential for Cu was examined. In this case, the surface layer becomes tighter than the bulk and the modulus increases with deceasing size, owing to the long range repulsive pair interaction, as well as the cohesive many-body interaction caused by the electron redistribution.

Calculation of the current noise spectrum in mesoscopic transport: A quantum master equation approach

Based on our recent work on quantum transport [X. Q. Li , Phys. Rev. B 71, 205304 (2005)], we show how an efficient calculation can be performed for the current noise spectrum. Compared to the classical rate equation or the quantum trajectory method, the proposed approach is capable of tackling both the many-body Coulomb interaction and quantum coherence on an equal footing. The practical applications are illustrated by transport through quantum dots. We find that this alternative approach is in a certain sense simpler and more straightforward than the well-known Landauer-Buttiker scattering matrix theory.

Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices

In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master equation with the well-known time-dependent density functional theory. The key ingredients of this paper include (i) the partitioning-free initial condition and the consideration of the time-dependent bias voltages which base our treatment on the Runge-Gross existence theorem; (ii) the non-Markovian master equation for the reduced (many-body) central system (i.e., the device); and (iii) the construction of Kohn-Sham master equations for the reduced single-particle density matrix, where a number of auxiliary functions are introduced and their equations of motion (EOMs) are established based on the technique of spectral decomposition. As a result, starting with a well-defined initial state, the time-dependent transport current can be calculated simultaneously along with the propagation of the Kohn-Sham master equation and the EOMs of the auxiliary functions.

Quantum transport from the perspective of quantum open systems

By viewing the non-equilibrium transport setup as a quantum open system, we propose a reduced-density-matrix based quantum transport formalism. At the level of self-consistent Born approximation, it can precisely account for the correlation between tunneling and the system internal many-body interaction, leading to certain novel behavior such as the non-equilibrium Kondo effect. It also opens a new way to construct time-dependent density functional theory for transport through large-scale complex systems. (c) 2006 Elsevier B.V. All rights reserved.

Band gap renormalization and carrier localization effects in InGaN/GaN quantum-wells light emitting diodes with Si doped barriers

The optical properties of two kinds of InGaN/GaN quantum-wells light emitting diodes, one of which was doped with Si in barriers while the other was not, are comparatively investigated using time-integrated photoluminescence and time-resolved photoluminescence techniques. The results clearly demonstrate the coexistence of the band gap renormalization and phase-space filling effect in the structures with Si doped barriers. It is surprisingly found that photogenerated carriers in the intentionally undoped structures decay nonexponentially, whereas carriers in the Si doped ones exhibit a well exponential time evolution. A new model developed by O. Rubel, S. D. Baranovskii, K. Hantke, J. D. Heber, J. Koch, P. Thomas, J. M. Marshall, W. Stolz, and W. H. Ruhle [J. Optoelectron. Adv. Mater. 7, 115 (2005)] was used to simulate the decay curves of the photogenerated carriers in both structures, which enables us to determine the localization length of the photogenerated carriers in the structures. It is found that the Si doping in the barriers not only leads to remarkable many-body effects but also significantly affects the carrier recombination dynamics in InGaN/GaN layered heterostructures. (c) 2006 American Institute of Physics.

Temperature dependence of polaron cyclotron resonance mass in GaAs/AlGaAs heterostructures

The temperature dependence of polaron cyclotron resonance mass in GaAs/AlGaAs heterostructures is reinvestigated theoretically. By taking into account the electron-longitudinal-optic phonon interaction with temperature-dependent many-body effects, the conduction band non-parabolicity, and the influence of nonzero magnetic field, a good agreement with experiment is obtained.

Kondo effect in a triangular triple quantum dots ring with three terminals

For a triangular triple quantum dots (TTQDs) ring with three terminals, when lowering one of the dot-lead coupling to realize the left-right (L-R) reflection symmetry coupling, the internal C-upsilon of the TTQDs is well preserved in the absence of many-body effect for the symmetric distribution of the dot-lead coupling on the molecular orbits. In the presence of Kondo effect, the decrement of one of the dot-lead couplings suppresses the inter-dot hopping. This happens especially for the coupled quantum dot (QD), which decouples with the other two ones gradually to form a localized state near the Fermi level As a result, the internal dynamic symmetry of the TTQDs ring is reduced to L-R reflection symmetry, and simultaneously, the linear conductance is lifted for the new forming molecular orbit near the Fermi level

黏性泥沙絮凝沉降的数值研究

盐度等因素对泥沙絮凝沉降的影响是本文的研究目的.考虑了泥沙颗粒在水中的多体相互作用, 以及颗粒间的XDLVO势.分析了盐度、泥沙浓度、Hamaker常数、水合作用对泥沙絮凝沉降的影响.获得的泥沙絮凝沉降速度的拟合公式与计算和试验相符, 对于工程实际有重要参考意义