A model for semiconductor quantum dot molecule based on the current spin density functional theory

Based on the current spin density functional theory, a theoretical model of three vertically aligned semiconductor quantum dots is proposed and numerically studied. This quantum dot molecule (QDM) model is treated with realistic hard-wall confinement potential and external magnetic field in three-dimensional setting. Using the effective-mass approximation with band nonparabolicity, the many-body Hamiltonian results in a cubic eigenvalue problem from a finite difference discretization. A self-consistent algorithm for solving the Schrödinger-Poisson system by using the Jacobi-Davidson method and GMRES is given to illustrate the Kohn-Sham orbitals and energies of six electrons in the molecule with some magnetic fields. It is shown that the six electrons residing in the central dot at zero magnetic field can be changed to such that each dot contains two electrons with some feasible magnetic field. The Förster-Dexter resonant energy transfer may therefore be generated by two individual QDMs. This may motivate a new paradigm of Fermionic qubits for quantum computing in solid-state systems.     

Spin probe study of semi‐interpenetrating polymer networks based on polyurethane and polymethacrylate functional prepolymers

The motional transition and heterogeneity of semi‐interpenetrating networks (SIPNs) based on polyurethane (PU) with carboxylic groups and methacrylic copolymer (PM) with tertiary amine groups were studied by the electron spin resonance (ESR) spin probe method. The concentration of functional groups in both prepolymers varied from 0 to 0.45 mmol g^?1. Spin‐probed SIPNs show that the temperature‐dependent spectra are sensitive to polymer interactions imposed by functional groups. These interactions determine the free volume distribution in the matrix and temperature at which motional transition takes place. The fraction of free volume increases with functional group concentration and reaches its maximum at 0.25 mmol g^?1. Further increases in the functional group concentration reduce the free volume. The results of the networks with strong interactions are discussed in terms of the interference of the plasticizing effect of the PU component and the formation of possible cluster cross‐links, which restricts segmental motions. Copyright © 2003 Society of Chemical Industry     

The Lambda Library: unnamed functions in C++

The Lambda Library (LL) adds a form of lambda functions to C++, which are common in functional programming languages. The LL is implemented as a template library using standard C++; thus no language extensions or preprocessing is required. The LL consists of a rich set of tools for defining unnamed functions. In particular these unnamed functions work seamlessly with the generic algorithms in the C++ Standard Library. The LL offers significant improvements, in terms of generality and ease of use, compared to the current tools in the C++ Standard Library. Copyright © 2003 John Wiley & Sons, Ltd.     

Kinetic model for water/oil absorption of mesquite gum (Prosopis juliflora) and gum arabic (Acacia senegal)

The water and oil uptake of mesquite and arabic gums in powdered form was studied at temperatures of 23, 35 and 45°C. A previously proposed equation to predict osmotic equilibrium was tested using the experimental data with both gums and a good statistical fit was obtained. Mesquite gum showed the highest water and oil absorption at all temperatures studied. Temperature dependence of the reciprocal of the S₁ and WL_∞ were determined using an Arrhenius equation. The activation energy for water and oil absorption for gum arabic was 21.98 and 39.57 kJ mol⁻¹, compared to that of mesquite gum having values of 15.79 and 46.16 kJ mol⁻¹, respectively. A second order kinetic model was obtained for water and oil absorption for both gums.     

Describing metal surfaces and nanostructures with orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) can be made to scale linearly with sample size, allowing thousands of atoms to be treated explicitly with quantum mechanics. State-of-the-art kinetic energy density functionals and ion–electron pseudopotentials are used to obtain accurate structural property predictions for nanoparticles, nanowires, extended surfaces, and nanoindentation of simple metals.     

First-principles study of the tensile and fracture of the Al/TiN interface

Employing the density functional theory, we investigate the tensile and fracture processes of the Al/TiN(0 0 1) interface. The simulation presents directly the strain–stress relationship, the ideal tensile strength and the process of bond breaking of the system. Through the analysis of deformation, we find that the softer Al layers deform larger than the harder TiN layers during the tensile process. And fracture occurs between the interface and the sub-interface Al layers. In addition, the results show that during the tensile process, the ripple of the interfacial TiN layer decreases gradually with the increment of the strain. Charge transfer was detected from the Al to TiN layers near the interface area during the tensile process by means of charge density and density of states analyses. The charge transfer affects the fracture process. Compared to our previous study of the Al/TiN(1 1 1) interface, the Al/TiN(0 0 1) interface has smaller work of adhesion and larger tensile strength than the Al/TiN(1 1 1) interface. Our investigation shows that the fractures of the Al/TiN(0 0 1) and (1 1 1) interface systems both happen in the Al layers near the interface.     

混合集成电路激光功能调值技术

本文提出了激光功能微调技术在高精度混合集成电路上的应用，讨论了关键技术问题，并以实例具体说明。该技术的应用为研制高精度混合集成电路开辟了新途径。     

绿豆纤维功能饮料的工艺研究

探讨了新型保健绿豆纤维功能饮料的生产工艺,对影响产品品质的几个主要因素进行了较为深入的探讨,提出了生产绿豆纤维功能饮料的最佳工艺条件。     

Adsorption and decomposition of H2S on Pd(1 1 1) surface: a first-principles study

Gradient-corrected density functional theory was used to investigate the adsorption of H₂S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H₂S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H₂S decomposition giving rise to adsorbed S and H were determined. Both H₂S_(ad) → SH_(ad) + H_(ad) and SH_(ad) → S_(ad) + H_(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H₂S on Pd(1 1 1) surface is a facile process.