Structures and charge distributions of cationic and neutral Cun-1Ag clusters (n=2-8)

[[abstract]]Geometries, electronic states, charge distributions, and stability of Cun-1Ag (n=2-8) neutral and cationic clusters have been investigated using density functional theory. Structural optimization and frequency analyses were performed with the basis set of Lanl2dz. Our results reveal that all neutral and charged Cun-1Ag (n=2-8) clusters can be derived from a substitution of the peripheral position occupied by Cu atom with an Ag atom in the corresponding Cu-n (n=2-8). The atoms at peripheral positions have a preference for bearing the most negative or least positive charges in the smaller clusters (n < 8). All atomic charges depend on their atomic positions and ability to obtain or lose electrons in the cluster. In various copper-silver species, Cun-1Ag (n=even number) and Cun-1Ag+ (n=odd number) clusters are predicted to be more stable, which can be attributed to difficultly removing an electron from the doubly occupied HOMO of a closed-shell system.[[fileno]]2010321010042[[department]]化學

Study on the influence of temperature on the surface asperity in micro cross wedge rolling

When the common deformation processes are scaled down to micro/meso dimensions, size effect is the particular phenomena in microforming, which is related to the dominant influence of single grains inside the micropart. The conventional cross wedge rolling (CWR) is introduced into the micro scale in order to take the advantages of CWR. The micro cross wedge rolling (MCWR) has to confront with the phenomena of size effect that occurs in the common microforming processes inevitably. One of the approaches to compensate size effect is to increase the deforming temperature. An increased formability is achieved because more slip systems of polycrystal metal are activated at the elevated temperature. This reduces the anisotropic material behavior resulting in a more homogeneous forming with improved reproducibility. In this study, a YAG laser beam is applied to heat the workpiece. Finite element model (FEM) associated with a material constitutive formulation considering dislocation mechanics is set up to simulate the MCWR of pure copper utilizing the laser heating. The surface asperity as an indication of material heterogeneity in micro scale is quantitatively analysed. The simulation results show a good agreement with experimental results in terms of the surface asperity. © 2013 AIP Publishing LLC

A predictive continuum dynamic user-optimal model for a polycentric urban city

A predictive continuum dynamic user-optimal model is extended to investigate the traffic equilibrium problem for a polycentric urban city with multiple central business districts (CBDs). The road network within the city is assumed to be dense and can be viewed as a continuum in which travellers can choose their routes in a two-dimensional space. Travellers are assumed to choose their route to minimise the actual total cost to the destination (i.e. the CBD). The model consists of two parts: the conservation law part and the Hamilton–Jacobi part. The finite volume method is used to solve each part on unstructured meshes. Because the two parts are closely interconnected and have different initial times, solving the model can be treated as a fixed-point problem, which is solved using a self-adaptive method of successive averages. Numerical experiments for an urban city with two CBDs are presented to demonstrate the effectiveness of the model and the numerical algorithm.postprin

Novel multipath mitigation methods using a dual-polarization antenna

There are many methods for mitigating GNSS multipath errors. However, none of them completely eliminate the effects of multipath or suit all GNSS applications. A new class of multipath mitigation methods exploit new dual-polarization antenna technology. GNSS signals received direct from the satellites have right-handed circular polarization (RHCP), whereas (singly) reflected signals have left-handed circular polarization (LHCP) or an elliptical polarization that may be expressed as the sum of RHCP and LHCP components. Conventional GNSS user antennas are more sensitive to signals with RHCP, attenuating LHCP signals and reducing, but not eliminating, the multipath errors in the receiver. An antenna with the opposite polarization sensitivity will attenuate the direct signals more than the reflected signals. This can be used to characterizing the reflected signals and thus mitigate the effects of multipath interference.Experimental work using an Antcom dual-polarization antenna and dual geodetic receivers is presented. This verifies that carrier power to noise density, C/N-0, measurements obtained by separately correlating the RHCP and LHCP antenna outputs can be used to distinguish between a low-multipath and moderate-multipath environment. This may be used as the basis of a multipath detection technique.Three different multipath mitigation techniques that use a dual-polarization antenna are proposed. Measurement weighting estimates the code and carrier multipath error standard deviation from the RHCP-LHCP C/N-0 difference and elevation angle. This is used by the navigation processor to discard and reweight measurements. Range-domain multipath correction, uses the pseudo-range, carrier-phase and C/N-0 differences between the outputs of RHCP and LHCP receiver tracking channels, together with antenna calibration data, to estimate corrections to the code and carrier measurements. In tracking-domain multipath mitigation, the RHCP and LHCP correlator outputs are input to common acquisition and tracking algorithms which attempt to separate the direct line of sight and reflected signalsThe design of a novel dual-input GNSS front end, based on direct RF sampling, is presented This will be used, in conjunction with a software GNSS receiver, for future development and testing of multipath mitigation using a dual-polarization antenna

Dynamic source routing strategy for two-level flows on scale-free networks

Version of RecordPublishe

Effects of L-arginine on intestinal development and endogenous arginine-synthesizing enzymes in neonatal pigs

This study aimed to investigate the effects of dietary L-arginine supplementation on the intestinal development of neonatal piglets and the underlying mechanisms. 36 neonatal piglets were randomly allocated into three diet groups: control group (supplemented with 0% L-arginine), 0.4 and 0.8% Larginine groups. When compared with the control, dietary supplementation with L-arginine decreased (P&lt;0.05) blood urea nitrogen (BUN), and improved (P&lt;0.05) serum T3 and insulin level of the piglets on day 11. Arginine and its metabolites (citrulline and ornithine) were elevated, additionally, dietary supplementation with 0.8% L-arginine markedly enhanced jejunal villus height, villus area on day 11 and D-xylose absorption rate on day 19. Dietary supplementation with 0.8% L-arginine increased (P&lt;0.05) activities of maltose and lactose on day 18, respectively. This effect correlated with profound change in enzyme activities as inducible nitric oxide synthetase (iNOS), glutamine synthetase (GS) and ornithine decarboxylase (ODC) were elevated on day 18. The concentrations of spermine was increased (P&lt;0.05) by L-arginine supplementation on day 18. These results collectively suggest that dietary  Larginine supplementation improves protein synthesis and intestinal development of the neonatal pigs, the underlying mechanism includes dietary L-arginine supplementation which regulated the productions of intestinal polyamine in jejunum, and stimulated endogenous arginine-synthesizing enzymes in neonatal piglets.Key words: Neonatal pig, L-arginine, intestinal development, arginine-synthetases

Double In Situ Approach for the Preparation of Polymer Nanocomposite with Multi-functionality

A novel one-step synthetic route, the double in situ approach, is used to produce both TiO2nanoparticles and polymer (PET), and simultaneously forming a nanocomposite with multi-functionality. The method uses the release of water during esterification to hydrolyze titanium (IV) butoxide (Ti(OBu)4) forming nano-TiO2in the polymerization vessel. This new approach is of general significance in the preparation of polymer nanocomposites, and will lead to a new route in the synthesis of multi-functional polymer nanocomposites

Synthesis, characterization and structure of the dimmer complex [ni（tssb）（phen）h2o]·c2h5oh·0.5h2o

2005-2006 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Effect of hot isostatic pressing on the mechanical properties of aluminium metal matrix nanocomposites produced by dual speed ball milling

© 2019 The Authors. In this study a suggested model for flake powder metallurgy were implemented and its mechanism was explained. The suggested model includes dual-speed ball milling (DSBM) to take the advantage of the low-speed and high-speed ball milling (LSBM and HSBM). The modelled process was utilised to uniformly disperse SiC nanoparticles into aluminium metal matrix to produce nanocomposites. The produced mixed powder was hot isostatically pressed. The effects of processing parameters such as stearic acid content, SiC volume content, ball milling speed and time on the microstructure and consequently tensile properties of the manufactured composites have been investigated experimentally to optimise the processing parameters bringing about the enhanced tensile properties of the fabricated composites. The results showed that the implementation of LSBM and HSBM processes can be considered as a unique strategy, i.e. the dual-speed ball milling (DSBM), for uniform dispersion of SiC nanoparticles associated with perfect bonding

Soliton superlattices in twisted hexagonal boron nitride.

Properties of atomic van der Waals heterostructures are profoundly influenced by interlayer coupling, which critically depends on stacking of the proximal layers. Rotational misalignment or lattice mismatch of the layers gives rise to a periodic modulation of the stacking, the moiré superlattice. Provided the superlattice period extends over many unit cells, the coupled layers undergo lattice relaxation, leading to the concentration of strain at line defects - solitons - separating large area commensurate domains. We visualize such long-range periodic superstructures in thin crystals of hexagonal boron nitride using atomic-force microscopy and nano-infrared spectroscopy. The solitons form sub-surface hexagonal networks with periods of a few hundred nanometers. We analyze the topography and infrared contrast of these networks to obtain spatial distribution of local strain and its effect on the infrared-active phonons of hBN