Chlorinated ethenes at Cu(1 1 0): adsorption, dissociation and reactions of trans-1,2-dichloroethene

The adsorption and reactions of trans-1,2-dichloroethene on Cu(1 1 0) have been investigated using reflection absorption infrared spectroscopy, temperature programmed desorption and molecular beam adsorption reaction spectroscopy. These data reveal that the behaviour of the system is critically affected by temperature and can be described in terms of three main regimes: Regime I, which occurs over 85-165 K, represents molecular adsorption in the monolayer and the multilayer where the trans-1,2-dichloroethene adsorbs with its molecular plane oriented largely parallel to the metal surface; Regime II, extending over the temperature range 170-280 K, is dominated by desorption/dechlorination events which are first initiated at 171 K, then poisoned rapidly and re-initiated at the much higher temperature of 263 K, culminating in the creation of adsorbed acetylene and Cl atoms on the surface; Regime III, spanning the temperature range of 280-500 K, is governed by the behaviour of the C₂H₂ molecular intermediate at the surface which, if created at low temperatures, trimerises to form benzene that subsequently desorbs. However, when created at high temperature, direct desorption of C₂H₂ competes effectively with the trimerisation process.     

The complexity of approximating a nonlinear program

We consider the problem of finding the maximum of a multivariate polynomial inside a convex polytope. We show that there is no polynomial time approximation algorithm for this problem, even one with a very poor guarantee, unless P = NP. We show that even when the polynomial is quadratic (i.e. quadratic programming) there is no polynomial time approximation unless NP is contained in quasi-polynomial time.Our results rely on recent advances in the theory of interactive proof systems. They exemplify an interesting interplay of discrete and continuous mathematics—using a combinatorial argument to get a hardness result for a continuous optimization problem.     

Neutral current parity violation and gauge flavours

In a large class of gauge theories the trace of the weak neutral axial charge operator over any complete irreducible gauge multiplet is shown to vanish. This implies a relation involving deep inelastic neutrino-induced neutral current parity-violating cross sections which can be used to test the correctness of the Weinberg-Salam gauge multiplet structure of quarks.     

Dual charged solution in curved space-time

A dual charged solution carrying both electric and magnetic charge is formulated in SU(2) × U(1) gauge theory without making use of the topological characteristics of Higgs fields. When Dirac quantisation condition is imposed, two consequences follow: (i) Weinberg angle is restricted to the value sin² θ = 1/2 and (ii) the solution cannot have fractional electric change, but must have integer items the basic electric charge of the theory. The infinity inherent in the theory is removed at the classical level by the use of gravitational effects by obtaining the same solution in the curved space-time. The resultant metric is of Reissner-Nordström form.     

Diamagnetism of a confined electron gas

We consider a free electron gas in the presence of a uniform magnetic field and confined by a cylindrically symmetric harmonic potential in the directions normal to the field. The density matrix in Boltzmann statistics is evaluated exactly and it is shown that the electron gas rotates uniformly under the influence of the field. The corresponding Wigner distribution function is also studied.     

Thermodynamic properties of gold–water nanofluids using molecular dynamics

Conflicts and discrepancies around nanoparticle (NP) size effect on the optical properties of metal NPs of sizes below the mean free path of electron can be traced to the internal damping effect of the hybrid resonance of the inner band (IB) and the conduction band (CB) electrons of the noble metals. We present a scheme to show how alternative mathematical formulation of the physics of interaction between the CB and the IB electrons of NP sizes <50?nm justifies this and resolves the conflicts. While a number of controversies exist between classical and quantum theories over the phenomenological factors to attribute to the NP size effect on the absorption bandwidth, this article shows that the bandwidth behavior can be well predicted from a different treatment of the IB damping effect, without invoking any of the controversial phenomenological factors. It finds that the IB damping effect is mainly frequency dependent and only partly size dependent and shows how its influence on the surface plasmon resonance can be modeled to show the influence of NP size on the absorption properties. Through the model, it is revealed that strong coupling of IB and CB electrons drastically alters the absorption spectra, splitting it into distinctive dipole and quadrupole modes and even introduce a behavioral switch. It finds a strong overlap between the IB and the CB absorptions for Au and Cu but not Ag, which is sensitive to the NP environment. The CB modes shift with the changing refractive index of the medium in a way that can allow their independent excitation, free of influence of the IB electrons. Through a hybrid of parameters, the model further finds that metal NP sizes can be established not only by their spectral absorption peak locations but also from a proper correlation of the peak location and the bandwidth (FWHM).     

Synthesis and characterization of stable organosols of silver nanoparticles by electrochemical dissolution of silver in DMSO

Stable organosols of silver nanoparticles (AgNPs) without any capping agents have been synthesized by an electrochemical dissolution of a sacrificing silver electrode in dimethyl sulfoxide (DMSO). The peak at 425 +/- 5 nm observed in the UV-vis spectra was attributed to the surface plasmon resonance for silver. The formation of nanoparticles of silver was confirmed by X-ray diffraction analysis (XRD). In TEM, three ranges of particle size were observed, namely, 3.75 +/- 0.8, 6.25 +/- 0.5, and 9.25 +/- 0.3 nm. The correlation among these sizes was explained by a new model based on a droplet coalition. Based on that, sizes correlation fits very well in the empirical formula 5d(1)(3)n' + (3 - n')d(2)(3) = d(3)(3) where d(1), d(2), and d(3) are three sizes of particles and n' is an integer having values 0, 1, 2, 3, .... The sols prepared in DMSO were stable against flocculation for months. An unusual solution stability without any capping agents was attributed to the formation of Ag(I)DMSO complex on particle surface, which was confirmed by FTIR, fluorescence spectroscopy, and thermal analysis.     

Improved efficiency of the sputtering technique for pyrite surface and its effect on reduction of electron beam damage

A quick and highly efficient method is described for the preparation of clean and well‐characterised (100) pyrite surfaces on natural crystals based on a sputter/annealing procedure in an ultra‐high vacuum (UHV) chamber. The improvement has been achieved by controlling the ingress of the key contaminants water and oxygen and restricting the annealing temperature to 560 K, which is below the SO₂ dissociation temperature. Low‐energy electron diffraction (LEED) and X‐ray photoelectron spectroscopy (XPS) data were used to study the surface. As well as improving the efficiency of the sputtering technique for this surface, a further major benefit is its high stability against electron beam damage as investigated by a quantitative LEED study. Copyright © 2008 John Wiley & Sons, Ltd.     

Effect of field quantization on Rabi oscillation of equidistant cascade four-level system

We have exactly solved a model of equidistant cascade four-level system interacting with a single-mode radiation field both semiclassically and quantum mechanically by exploiting its similarity with Jaynes-Cummings model. For the classical field, it is shown that the Rabi oscillation of the system initially in the first level (second level) is similar to that of the system when it is initially in the fourth level (third level). We then proceed to solve the quantized version of the model where the dressed state is constructed using a six-parameter four-dimensional matrix and show that the symmetry exhibited in the Rabi oscillation of the system for the semiclassical model is completely destroyed on the quantization of the cavity field. Finally, we have studied the collapse and revival of the system for the cavity field-mode in a coherent state to discuss the restoration of symmetry and its implication is discussed.      

Non-perturbative to perturbative QCD via the FFBRST

Recently a new type of quadratic gauge was introduced in QCD in which the degrees of freedom are suggestive of a phase of abelian dominance. In its simplest form it is also free of Gribov ambiguity. However this gauge is not suitable for usual perturbation theory. The finite field dependent BRST (FFBRST) transformation is a method established to interrelate generating functionals for different effective versions of gauge fixed field theories. In this paper we propose a FFBRST transformation suitable for transforming the theory in the new quadratic gauge into the standard Lorenz gauge Faddeev–Popov version of the effective lagrangian. The task is made interesting by the fact that the effective lagrangian is invariant under two different BRST transformations which leads to suitable extension of the previous procedures to accomplish the required result. We are thus able to identify a field redefinition to go from a non-perturbative phase of QCD to perturbative QCD.