Energy transfer and correlation dynamics in a three-quasi-spin-pigment system

In this paper, the effects of quantum and classical correlations on the excitation energy transfer in a three-quasi-spin-pigment system are investigated. We first study the dependence of the energy transfer efficiency on various initial correlations of the donor pigments, and find that the initial concurrence is crucial to the efficiency no matter whether the initial states are pure or mixed. We then demonstrate the dynamics of correlations of the system and observe the appearance of sudden death of quantum correlations in the donor pigments. The relation between the energy transfer efficiency and the dynamics of correlations in the donor pigments is also discussed.     

Energy transfer and quantum correlation dynamics in FMO light-harvesting complex

The dynamics of energy transfer in Fenna–Matthews–Olson (FMO) light-harvesting complex interacting with a phonon bath is investigated. In this contribution, by considering the phonon bath as a source of stochastic noise, a new approach is proposed. Also, by calculating the global quantum entanglement and global quantum discord, the time evolution of the quantum correlation during the process is evaluated. The effects of temperature and initial excited state on the energy transfer and the quantum correlation are studied. It is shown, in agreement with the previous results, that the increasing of the temperature gives rise to the faster delocalisation of energy transfer and global quantum entanglement in the FMO complex. The proposed model predicts that the global discord is resistance versus the raising temperature. Furthermore, it is demonstrated that the quantum entanglement with respect to the global quantum discord has a significant role in the process of energy transfer in the FMO complex.     

Nonadiabatic couplings and charge transfer study in H + CS+ collision using time-dependent quantum dynamics

Experiments have reported the high stability of HCS⁺ ion and inhibit to decompose over the range of collision energies. In this study, the various energy transfer channels of atomic H collision with CS⁺ molecular ion has been performed by ab initio computations at the multireference configuration interaction/aug-cc-pVQZ level of theory. The ground and several low-lying excited electronic state potential energy surfaces in three different molecular orientations, namely, two collinear configurations with, (1) H approaching the S atom (γ = 0°), (2) H approaching the C atom (γ = 180°) and one perpendicular configuration, (3) H approaching the centre of mass of CS (γ = 90°) with the diatom fixed at the equilibrium bond length, have been obtained. Nonadiabatic effects with Landau–Zener coupling leading to avoided crossings are observed between the ground- and the first-excited states in γ = 90° orientation, and also between the first- and second-excited states in γ = 180° orientation. Quantum dynamics have been performed to study the charge transfer using time-dependent wave packet method on the diabatic potential energy surfaces. The probability of charge transfer is found to be highest with 42% in γ = 180°. The high charge transfer probability result in the formation of H⁺ + CS channel which ascertains the high stability of HCS⁺ ion.     

Microwave radiative transfer in scattering atmosphere: Effects of complex permittivity of ice spherical crystals

This paper presents the effects of ice particle's complex permittivity uncertainties on the scattering properties and upwelling brightness temperatures of cloudy atmospheres at the Advanced Microwave Sounding Unit-B (AMSU-B) channel frequencies of 89, 150 and 183 GHz. We investigated the mean deviations of ice particle's optical efficiencies and asymmetry parameters due to the uncertainties in the real and imaginary parts of its complex permittivities. We assumed that the true values of ice particle's permittivity are, respectively, within ±20% for the imaginary part and ±5% for the real part of the permittivity values given by the model of Hufford. Microwave radiative transfer calculations were performed to estimate the absolute errors of brightness temperatures due to uncertainties in ice particle's permittivities. Ice particles were taken to be spherical and their diameters were chosen in the range of 40-4000 μm. Gamma-size distribution was employed in computing volume scattering properties and the effective diameters were 70, 100 and 150 μm with an effective variance being 0.25. We found that ±20% uncertainty in the imaginary part of ice particle's permittivity resulted in only about 10% mean deviations in the absorption efficiencies at the three AMSU-B channel frequencies. However, an uncertainty of ±5% in the real part resulted in more than 15% mean deviations in both scattering and extinction efficiencies, especially significant at the frequency of 183 GHz. The absolute variations of the emerging brightness temperature from the cloudy atmosphere due to uncertainties in the permittivity were found to be more than 1 K, which is already significant compared with the sensitivities achieved with today's technology for millimeter wave radiometers.     

电子在蛋白质分子中的迁移机理及其特性

ATP水解作用所释放的能量能引起蛋白质分子中额外电子的激发,其激发与氨基酸残基晶格畸变相互作用,使额外电子自陷成孤子,这孤子在附着有供体(D)和受体(A)的蛋白质分子中运动时,由于孤子与供体电子的相互作用而"自局域"在孤子上进行迁移,从而可把电子供给受体.使用作者提出的孤子理论研究了这种迁移的特征,计算了在这种非平衡态过程中由孤子迁移电子的速率和动能系数,得到了一些有趣的结果,揭示了这种迁移的本质,求得了迁移的大小.     

The Monte Carlo atmospheric radiative transfer model McArtim: Introduction and validation of Jacobians and 3D features

A new Monte Carlo atmospheric radiative transfer model is presented which is designed to support the interpretation of UV/vis/near-IR spectroscopic measurements of scattered Sun light in the atmosphere. The integro differential equation describing the underlying transport process and its formal solution are discussed. A stochastic approach to solve the differential equation, the Monte Carlo method, is deduced and its application to the formal solution is demonstrated. It is shown how model photon trajectories of the resulting ray tracing algorithm are used to estimate functionals of the radiation field such as radiances, actinic fluxes and light path integrals. In addition, Jacobians of the former quantities with respect to optical parameters of the atmosphere are analyzed. Model output quantities are validated against measurements, by self-consistency tests and through inter comparisons with other radiative transfer models.     

Three-dimensional radiative transfer in an anisotropically scattering, plane-parallel medium: generalized reflection and transmission functions

The problem of spatially varying, collimated radiation incident on an anisotropically scattering, plane-parallel medium is considered. A very general phase function is allowed. An integral transform is used to reduce the three-dimensional radiative transport equation to a one-dimensional form, and a modified Ambarzumian's method is applied to derive nonlinear integral and integro-differential equations for the generalized reflection and transmission functions. The integration is over the polar and azimuthal angles—this formulation is referred to as the double-integral formulation. The integral equations are used to illustrate symmetry relationships and to obtain single- and double-scattering approximations. The generalized reflection and transmission functions are important in the construction of the solutions to many multidimensional problems. Coupled integral equations for the interior and emergent intensities are developed and, for the case of two identical homogeneous layers, used to formulate a doubling procedure. Results for an isotropic and Rayleigh scattering medium are presented to illustrate the computational characteristics of the formulation.     

Charge transfer in keV proton collision with atomic oxygen: Differential and total cross sections

Classical Trajectory Monte Carlo method (CTMC) with the modal interaction potential [1] has been used to simulate the differential, total and partial capture cross sections in proton-oxygen atom collisions in the energy range of 0.5–200 keV. An interesting feature of the calculated differential cross sections (DCS) curve below the scattering angle 0.1^○ is the presence of oscillations showing asymmetry in angular positions. The oscillations in the partial cross sections are explained in terms of swapping effect. The DCS and total cross sections are found to be in good agreement with the experimental as well as other theoretical results.     

The aberration and the modulation transfer function in LASEK and LASIK: Pupil size dependence

The wave-front aberrations on the postoperative eyes with two different type of excimer laser surgery have been measured by a Hartmann-Shack wave-front sensor. We have calculated the aberrations for both 3 and 6 mm pupils, and with which to acquire the MTF of the eye. There are no significant differences in wave-front aberrations postoperatively (P>0.05) for 3 mm pupil size, but with 6 mm pupil, LASIK-treated eyes exhibit significant higher aberrations than LASEK-treated eyes for 4th and 5th-order aberrations. For individual Zernike terms, there are significant difference in , and . The MTF for 6 mm pupil is much lower than those for 3 mm pupil across all spatial frequencies. The LASEK curve shows higher than that with LASIK at spatial frequencies less than 60 c/d, which means that the optical quality in LASEK-treated eyes showed better than in LASIK-treated eyes.     

Dynamic and stationary characteristics of nonlinear luminescence in molecular layers with electronic-excitation energy transfer

We carry out an analysis of the characteristics of nonlinear luminescence of a multicomponent layer system consisting of layers of molecules of a sensitizer, donor, and acceptor with inductive-resonance transfer of energy between the components of the molecular ensemble. We show that in a stationary regime bistable dependences of the populations of excited states of molecules on excitation intensity are realized without external feedback. For pulse pumping, we show the possibility for forming response-luminescence pulses with widely variable characteristics: shape, duration, intensity, and delay. Belorussian State University, 4, F. Skorina Ave., Minsk, 220050, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 66, No. 2, pp. 190–196, March–April, 1999.     

PVK:DBVP掺杂体系的能量转移及发光性质的研究

研究了不同比例的PVK与齐聚PPV衍生物DBVP掺杂体系的能量转移和发光特性.通过对PVK，DBVP及PVK: DBVP掺杂体系的UV-vis，PL和PLE光谱的研究，分析了PVK与DBVP之间的能量转移过程.利用PVK在体系中类似于溶剂的分散作用，制备了结构为ITO/PEDOT/PVK: DBVP/LiF/Al的电致发光器件，研究了掺杂体系的电致发光性能.结果表明，在掺杂体系的光致发光和电致发光中，PVK的发射被有效地抑制，PVK与DBVP之间发生了非常有效的能量转移，通过调节PVK与DBVP的比例，可以获得蓝色和绿色发光，同时可以改善器件的发光性能，当PVK与DBVP的重量比为1∶2时，器件的绿色发光效率达到1.06cd/A，此时发光亮度为52cd/m².     

Photoluminescence properties and energy transfer in Y_2O_3:Eu~(3+) nanophosphors

The photoluminescence(PL) properties of Y2O3:Eu3+nanophosphors were systematically investigated with the goal of improving the color quality and quantum efficiency of Y2O3:Eu3+nanophosphors for potential applications in nanoscale devices. The emission spectra, excitation spectra and fluorescence decay curves were employed to trace the energy transfer process from Eu3+at C3isite to Eu3+at C2site. The experimental results show that the energy transfer process becomes more and more efficient with the increase in the Eu3+concentration. The emission of Eu3+at C2site is favorable because it has high radiative efficiency and better color quality. The successful suppress of the emission Eu3+at C3iis especially important for its applications in general illumination or display technology. The quantum efficiency and color quality of Y2O3:Eu3+can be improved by controlling the energy transfer between the Eu3+at S6site and Eu3+at C2site.     

Stochastic radiative transfer in Markovian mixtures: Past, present, and future

The Markovian approach, originally suggested in the early 1900s, has widespread practical use in many of our present-day studies and allows one to build bridges between diverse research areas such as statistical physics, astronomy, and computational science. This overview takes a broad sweep of several important examples with the emphasis on the stochastic radiative transfer in a cloudy atmosphere. In particular, the overview (i) highlights important contributions made by Pomraning and Titov to the neutron and radiation transport theory in a stochastic medium with homogeneous statistics and (ii) illustrates that ideas and tools introduced by these two distinguished scientists are gaining increasing impact and recognition in the atmospheric science.     

Hydrogen atom transfer in indole clusters: formation dynamics of , n = 1-6, fragments

The H atom transfer reaction in electronically excited indole(NH ₃ ) _n clusters is studied in pump-probe experiments with femtosecond laser pulses. By applying different probe photon energies we are able to detect the dissociation products (NH ₃ ) _{n - 1} NH ₄ for n = 1-6. Furthermore we show that the analysis of the corresponding ion signals is not distorted by contributions from larger cluster ions due to evaporation of NH ₃ molecules. The formation times of the products are ca. 140ps for n = 2-4 and about 80ps for n = 5, 6. Received 30 April 2002 / Received in final form 29 May 2002 Published online 13 September 2002     

Heat transfer by radiation and conduction in fibrous media without axial symmetry

Coupled radiative and conductive heat transfer in a fibrous medium formed by silica fibres is investigated in this paper by not taking account of the axial symmetry for the distribution of fibres or the boundary conditions. Radiative properties of the medium are calculated by using the Mie theory. The model obtained depends only on optical parameters (indices of silica) and on morphological parameters (diameter and orientation of the fibres, density of the medium). Simulations make it possible to study the strongly anisotropic behaviour of the scattering of the radiation by a fibre and to study the influence of various parameters on the radiative properties of the medium. The results of the Mie theory make possible the simulation of the heat transfer coupled by radiation and conduction. To do this, we introduce a new numerical scheme able to simulate heat transfer in the lack of axial symmetry. With this model, we can show the effects of distribution of fibres and temperature on the thermal behaviour of the medium as well as showing the importance of the phenomenon of scattering in fibrous media.     

Controlling energy transfer from intense ultrashort light pulse to crystals: A comparison study in attosecond and femtosecond regimes

The energy exchange between photons and electrons has been investigated theoretically by ab initio approach based on time-dependent density functional theory. Using diamond as a concrete example, three types of resonance and cancellation in the transfer of energy are theoretically observed, that allows one to gain a useful independent insight into the interaction processes of attosecond light pulses with matter. Our results demonstrate the linearity in energy transfer from intense attosecond light pulses to solids, in contrast to the nonlinearity in energy transfer from intense femtosecond light pulses to solids as expected from the conventional point of view, opening new perspectives for attoscience.     

A comparative study of the energy migration and energy transfer in highly doped Nd:YAG single crystal

The donor-donor (D-D) energy migration interaction parameter C_DD in high-concentration Nd³⁺-doped YAG laser crystal is estimated, for the first time, by using the Yokota-Tanimoto (Y-T) model and the spectral overlap model (SOM) of Kushida. Firstly, the experimental luminescence decay curves of ⁴F_3/2 state of Nd³⁺ ions in YAG laser crystal at room temperature for 2.0 and 3.0 at% Nd³⁺ concentrations reported by Mao are fitted successfully by using the Y-T model and the parameter C_DD is obtained to be 1.50×10⁻³⁹ cm⁶/s. Secondly, the parameter C_DD is also directly calculated by using the SOM of Kushida: C_DD is calculated to be 2.73×10⁻³⁹ cm⁶/s. By comparing the energy migration interaction parameter C_DD and the donor-acceptor (D-A) energy transfer interaction parameter C_DA (1.794×10⁻⁴⁰ cm⁶/s), it is concluded that energy migration rate between Nd³⁺ ions in YAG laser crystal was about 11 times larger than energy transfer rate, and that energy migration would play a very important role in high-concentration Nd³⁺ -doped YAG laser crystal.     

Transient heat transfer in a spherical protective material, submitted to flux and mixed boundary conditions: an investigation on zirconia

An analytic solution is presented for describing combined radiation and conduction heat transfer in a spherical fiber thermal protection exposed to combined radiative and convective heating. The solution includes the equation of radiative transfer within the material, coupled to a transient energy equation that contains both radiative and convective terms. At elevated temperatures radiative transfer becomes important, and if several hot surfaces view each other, the radiation exchange process must be considered carefully. Some thermal protections are partially transparent to thermal radiation. Hence, an exchange process is complicated by radiation penetrating into and coming out of material. The radiation leaving an area depends on the temperature distribution inside that area and that is unknown and is affected by the exchange process to other areas. The analysis has allowed for unlimited spectral detail but assumes that the various material properties do not vary significantly with temperature. Transient temperature distributions are obtained for the boundary conditions of external radiation and convection. The present analysis includes the influence of reflectivity, surface radiative properties and spectral properties on the temperature distributions.