Nonadiabatic generation of coherent phonons

The time-dependent density functional theory (TDDFT) is the leading computationally feasible theory to treat excitations by strong electromagnetic fields. Here the theory is applied to coherent optical phonon generation produced by intense laser pulses. We examine the process in the crystalline semimetal antimony (Sb), where nonadiabatic coupling is very important. This material is of particular interest because it exhibits strong phonon coupling and optical phonons of different symmetries can be observed. The TDDFT is able to account for a number of qualitative features of the observed coherent phonons, despite its unsatisfactory performance on reproducing the observed dielectric functions of Sb. A simple dielectric model for nonadiabatic coherent phonon generation is also examined and compared with the TDDFT calculations.Comment: 19 pages, 11 figures. This is prepared for a special issue of Journal of Chemical Physics on the topic of nonadiabatic processe

Sub-Cycle Optical Response Caused by Dressed State with Phase-Locked Wavefunctions

The coherent interaction of light with matter imprints the phase information of the light field on the wavefunction of the photon-dressed electronic state. Driving electric field, together with a stable phase that is associated with the optical probe pulses, enables the role of the dressed state in the optical response to be investigated. We observed optical absorption strengths modulated on a sub-cycle timescale in a GaAs quantum well in the presence of a multi-cycle terahertz driving pulse using a near-infrared probe pulse. The measurements were in good agreement with the analytical formula that accounts for the optical susceptibilities caused by the dressed state of excitons, which indicates that the output probe intensity was coherently reshaped by the excitonic sideband emissions

Varietal differences in the texture of grape berries measured by penetration tests

Penetration tests were made on 8 mm thick flesh sections from grape berries of 22 cultivars of Vitis vinifera L. and 18 of Vitis labruscana Bailey. Deformation at the first major peak (DFP), maximum force (MF), force at the first major peak (FFP) and work to the first major peak (WFP) were recorded. High correlation coefficients were obtained between the rating of difficulty of breakdown on mastication in the sensory tests and DFP (r=0.86**), and the rating of flesh firmness in the sensory test and MF (r=0.84**). The mean value and variance of DFP and WFP were significantly higher in V. labruscana than in V. vinifera, whereas those of MF were nearly the same. DFP and MF were not correlated for V. vinifera cultivars, but were for V. labruscana cultivars (r=0.68**). These results indicate that the texture of V. labruscana had a wide variation in toughness whereas that of V. vinifera was brittle and did not have a wide variation in toughness; both groups had the same variation in firmness

Guardians Ad Litem as Surrogate Parents: Implication for Role Definition and Confidentiality

SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for the simulation of electron dynamics and optical properties of molecules, nanostructures, and crystalline solids based on first-principles time-dependent density functional theory. The core part of the software is the real-time, real-space calculation of the electron dynamics induced in molecules and solids by an external electric field solving the time-dependent Kohn–Sham equation. Using a weak instantaneous perturbing field, linear response properties such as polarizabilities and photoabsorptions in isolated systems and dielectric functions in periodic systems are determined. Using an optical laser pulse, the ultrafast electronic response that may be highly nonlinear in the field strength is investigated in time domain. The propagation of the laser pulse in bulk solids and thin films can also be included in the simulation via coupling the electron dynamics in many microscopic unit cells using Maxwell’s equations describing the time evolution of the electromagnetic fields. The code is efficiently parallelized so that it may describe the electron dynamics in large systems including up to a few thousand atoms. The present paper provides an overview of the capabilities of the software package showing several sample calculations. Program summary Program Title: SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience Program Files doi:http://dx.doi.org/10.17632/8pm5znxtsb.1 Licensing provisions: Apache-2.0 Programming language: Fortran 2003 Nature of problem: Electron dynamics in molecules, nanostructures, and crystalline solids induced by an external electric field is calculated based on first-principles time-dependent density functional theory. Using a weak impulsive field, linear optical properties such as polarizabilities, photoabsorptions, and dielectric functions are extracted. Using an optical laser pulse, the ultrafast electronic response that may be highly nonlinear with respect to the exciting field strength is described as well. The propagation of the laser pulse in bulk solids and thin films is considered by coupling the electron dynamics in many microscopic unit cells using Maxwell’s equations describing the time evolution of the electromagnetic field. Solution method: Electron dynamics is calculated by solving the time-dependent Kohn–Sham equation in real time and real space. For this, the electronic orbitals are discretized on a uniform Cartesian grid in three dimensions. Norm-conserving pseudopotentials are used to account for the interactions between the valence electrons and the ionic cores. Grid spacings in real space and time, typically 0.02 nm and 1 as respectively, determine the spatial and temporal resolutions of the simulation results. In most calculations, the ground state is first calculated by solving the static Kohn–Sham equation, in order to prepare the initial conditions. The orbitals are evolved in time with an explicit integration algorithm such as a truncated Taylor expansion of the evolution operator, together with a predictor–corrector step when necessary. For the propagation of the laser pulse in a bulk solid, Maxwell’s equations are solved using a finite-difference scheme. By this, the electric field of the laser pulse and the electron dynamics in many microscopic unit cells of the crystalline solid are coupled in a multiscale framework

Time-dependent density functional theory for strong electromagnetic fields in crystalline solids

We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in the response. At the lowest intensities, the pulse is reflected and transmitted in accord with the dielectric response, and the characteristics of the energy deposition is consistent with two-photon absorption. The absorption process begins to deviate from that at laser intensities ~ 10^13 W/cm^2, where the energy deposited is of the order of 1 eV per atom. Changes in the reflectivity are seen as a function of intensity. When it passes a threshold of about 3 \times 1012 W/cm2, there is a small decrease. At higher intensities, above 2 \times 10^13 W/cm^2, the reflectivity increases strongly. This behavior can be understood qualitatively in a model treating the excited electron-hole pairs as a plasma.Comment: 27 pages; 11 figure

"Gtool5": a Fortran90 library of input/output interfaces for self-descriptive multi-dimensional numerical data

A Fortran90 input/output library, "gtool5", is developed for use with numerical simulation models in the fields of Earth and planetary sciences. The use of this library will simplify implementation of input/output operations into program code in a consolidated form independent of the size and complexity of the software and data. The library also enables simple specification of the metadata needed for post-processing and visualization of the data. These aspects improve the readability of simulation code, which facilitates the simultaneous performance of multiple numerical experiments with different software and efficiency in examining and comparing the numerical results. The library is expected to provide a common software platform to reinforce research on, for instance, the atmosphere and ocean, where a close combination of multiple simulation models with a wide variety of complexity of physics implementations from massive climate models to simple geophysical fluid dynamics models is required

Infuence of the year and HMW glutenin subunits on end-use quality predictors if bread wheat waxy lines

The effects of environment and the high molecular weight glutenins on some quality properties (sedimentation volume, % protein content, and starch pasting viscosity) of bread wheat mutant waxy lines were evaluated. Thirty-eight 100% amylose-free F 2 derived F 6 and F 7 lines were used. The results indicated that the environment did not influence sedimentation volume, mixograph parameters and starch viscosity parameters of waxy flour. Variation in the % protein content was determined mainly by the environment. The sedimentation volume and the mixograph peak development time were influenced by the variation at over expression of Bx7 and the mixograph peak development time was influenced by the Glu-D1 locus. One starch viscosity parameter, time to peak viscosity, was influenced by variation at the Glu-A1 locus. This parameter is significantly lower in the waxy lines than the parent line, which shows the influence of the waxy loci. No significant correlation was observed for sedimentation volume, mixograph parameters, protein content and viscosity parameters of waxy line

Results of oceanographic and meteorological observations at Otsuchi Bay (2000)

平成12年度共同利用研究集会「棘皮動物ウニ類のボディプラン確立過程におけるシグナル伝達」（2000年10月23日～25日, 研究代表者：雨宮昭南）講演要旨Signal transduction in the process of eastablishment of sea urchin body plan(Abstracts of scientific symposia held at Otsuchi Marine Research Center in 2000