Field optimized initial state based control of photodissociation

A new scheme for controlling photodissociation through preparation of a variationally optimized linear superposition of field free vibrational eigenstates is applied for selective control of IBr and HI dissociation. The dependence of photodissociation on various field parameters and initial conditions is examined to investigate the mechanistic basis of selective control. The parametric equations of motion approach for determining vibrational dynamics as a function of field parameters without having to solve the time dependent Schrödinger equation explicitly for each field parameter separately is outlined and its use to identify field characteristics which will provide the requisite population mix represented by the optimal linear superposition of vibrational states is advocated.     

处理原子-辐射场相互作用系统的变分方法

用Heisenberg-Weyl(简H-W)群直积SU(2)群上的相干态表述了原子-辐射场相互作用系统的非平衡态统计力学.引入一个新定义的含时分布函数,将非平衡态下密度矩阵所满足的von Neumann方程转化成可分离变量的偏微分方程,给出了方程的形式解,算符的平均值表示.本文还就便于作微扰展开的相互作用绘景作了讨论.     

The 2D Rancieite-type manganic acid and its alkali-exchanged derivatives: Part I — Chemical characterization and thermal behavior

The 2D Rancieite type manganic acid was prepared by reduction of KMnO₄ in acidic medium. Its ion exchange behavior allows to prepare alkali derivatives. All compounds were characterized with use of a combination of X-ray diffraction, chemical analyses, TGA, magnetic measurements and spectroscopic techniques. The evolution of their chemical composition versus temperature was studied between 180 and 400 °C. It shows that the dehydration process is partly reversible in these compounds whereas the weak reduction is irreversible. The 2D Rancieite-type manganic acid is readily different from a Birnessite-type phyllomanganate, as shown by several features: the interlayer distance, the ion exchange capacity, the thermal behavior, the interlayer cation content, the manganese average oxidation state, the magnetic behavior and the IR spectrum.     

Thermodynamic derivative properties and densities for hyperbaric gas condensates: SRK equation of state predictions versus Monte Carlo data

The ability of Soave–Redlich–Kwong cubic equation of state (SRK EoS) to predict densities and thermodynamic derivative properties such as thermal expansivity, isothermal compressibility, calorific capacity, and Joule–Thompson coefficients, for two gas condensates over a wide range of pressures (up to 110 MPa) was studied. The predictions of the EoS were compared to Monte Carlo simulation data obtained by Lagache et al. [M.H. Lagache, P. Ungerer, A. Boutin, Fluid Phase Equilibr. 220 (2004) 221]. Two completely different alpha functions for the SRK EoS attractive term were used and their respective effects on the predictions of such properties were analyzed. Also, two different forms of the crossed terms of the attractive parameter, a_ij, and three expressions of the crossed terms of the repulsive parameter, b_ij, were combined in different ways, and predictions were carried out. Little sensitivity of the properties on the chosen alpha function, except for the calorific capacities, was found in the systems studied. The most commonly used combination rules to model phase behavior of reservoir fluids, i.e. geometric and arithmetic forms of a_ij and b_ij, respectively, predicted very deficient results for these fluids at extreme conditions, specially for density calculations.     

相位差与q变形广义相干叠加态的压缩特性

对于q变形的非简谐振子广义相干态的叠加态β〉+eiφβeiδ〉,其量子涨落的可能高阶压缩阶数可以表示为k≠2πn/δ,这里n是整数.当δ=π时,压缩阶数不能是偶数即只能是奇数,这正是q变形非简谐振子广义奇偶相干态的结果.由此表明参数相位差δ对决定q变形的非简谐振子广义相干态叠加态的高阶压缩阶数起决定性作用.     

A detailed analysis of the photoemission spectra of basic thioaromatic monolayers on noble metal substrates

Analysis of photoemission spectra of complex thioaromatic self-assembled monolayers (SAMs) requires the knowledge and understanding of such spectra for the basic systems. Keeping this goal in mind, synchrotron-based high-resolution X-ray photoelectron spectroscopy was used to characterize SAMs formed from the simplest thioaromatic compounds, namely thiophenol, 1,1′-biphenyl-4-thiol and 1,1′;4′,1″-terphenyl-4-thiol on evaporated Au(1 1 1) and Ag(1 1 1) substrates. The acquired S 2p and C 1s spectra were analyzed in terms of fine structure and initial and final state effects in the photoemission process. The assignment of the individual spectral features was considered in detail. Conclusions on quality and chemical and structural homogeneity of the investigated SAMs were derived.     

Cosmological Consequences of Scale-Related Comoving Masses for Cosmic Pressure, Mass, and Vacuum Energy Density

According to ideas of Mach, Whitrow, Dirac, or Hoyle, inertial masses of particles should not be a genuine, predetermined quantity; rather they should represent a relational quantity which by its value somehow reflects the deposition and constellation of all other objects in their cosmic environment. In this paper we want to pick up suggestions given by Thirring and by Hoyle of how, due to requirements of the equivalence of rotations and of general relativistic conformal scale invariance, the particle masses of cosmic objects should vary with the cosmic length scale. We study cosmological consequences of comoving cosmic masses which co-evolve by mass with the expansion of the universe. The vanishing of the covariant divergence of the cosmic energy-momentum tensor under the new prerequisite that matter density only falls off with the reciproke of the squared cosmic scale S(t) then leads to the astonishing result that cosmic pressuredoes not fall off adiabatically but rather falls off in a quasi-isothermal behaviour, varying with S(t) as matter density does. Hence, as a new cosmological fact, it arises that, even in the late phases of cosmic expansion, pressure cannot be neglected what concerns its gravitational action on the cosmic dynamics. We then show that under these conditions the cosmological equations can, however, only be solved if, in addition to matter, also pressure and energy density of the cosmic vacuum are included in the calculation. An unaccelerated expansion with a Hubble parameter falling off with S(t)⁻¹ is obtained for a vacuum energy density decay according to S(t)⁻² with a well-tuned proportion of matter and vacuum pressures. As it appears from these results, a universe with particle masses increasing with the cosmic sale S(t) is in fact physically conceivable in an energetically consistent manner, if vacuum energy at the expansion of the universe is converted into mass density of real matter with no net energy loss occuring. This universe in addition also happens to be an economical one which has and keeps a vanishing total energy.     

Mossbauer investigations of corrosion environment influence on Fe valence states in oxide films of zirconium alloys

Mössbauer investigations about iron atom redistribution in oxide films of zirconium alloys subjected to corrosion at 500°C in pure oxygen and water pair have been analysed. The alloys were also subjected to autoclave conditions at a pressure of 10.0 MPa and autoclave conditions at 350°C and at a pressure of 16.8 MPa, using distilled water and water with additives of lithium and fluorine. It is shown that, depending on the corrosion environment, various compounds of iron, such as α-Fe₂O₃, Fe₃O₄, and FeO, as solid solutions of iron in ZrO₂ are formed in oxide films.     

Anti-Stokes Bands of Intrinsic Radiation in Undoped GaAs Crystals

It has been established that undoped gallium crystals exhibit anti-Stokes radiation with energy corresponding to the interband recombination of these crystals. Its appearance is most probably determined by EL2 defects, and its intensity depends on the product of the cross sections for photoionization of electrons and the holes from these defects.     

Lorentz Invariant Decompositions of the State Vector Spaces and the Basis Problem

We consider a representation of the state reduction which depends neither on its reality nor on the details of when and how it emerges. Then by means of the representation we find necessary conditions, even if not the sufficient ones, for a decomposition of the state vector space to be a solution to the basis problem. The conditions are that the decomposition should be Lorentz invariant and orthogonal and that the associated projections should be continuous. They are shown to be able to determine a decomposition in each of a few examples considered if the other circumstances are taken into account together.