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At least 1,729 records · Page 96

Solvent electronic polarization effects on a charge transfer excitation studied by the mean-field QM/MM method

Electronic polarization effects of a medium can have a significant impact on a chemical reaction in condensed phases. We discuss the effects on the charge transfer excitation of a chromophore, N,N-dimethyl-4-nitroaniline, in various solvents using the mean-field QM/MM method with a polarizable force field. The results show that the explicit consideration of the solvent electronic polarization effects is important especially for a solvent with a low dielectric constant when we study the solvatochromism of the chromophore.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exact equations of state for nematics

We propose a novel approach to the solution of nematic Liquid Crystal models based on the derivation of a system of nonlinear wave equations for order parameters such that the occurrence of uniaxial and biaxial phase transitions can be interpreted as the propagation of a two-dimensional shock wave in the space of thermodynamic parameters. We obtain the exact equations of state for an integrable model of biaxial nematic liquid crystals and show that the classical transition from isotropic to uniaxial phase in absence of external fields is the result of a van der Waals type phase transition, where the jump in the order parameters is a classical shock generated from a gradient catastrophe at a non-zero isotropic field. The study of the equations of state provides the first analytical description of the rich structure of nematics phase diagrams in presence of external fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NONLINEAR EFFECTS IN PARTICLE TRANSPORT IN STOCHASTIC MAGNETIC FIELDS

Collisional particle transport in stochastic magnetic fields is studied using a semi-analytical method. The aim is to determine the influence of the nonlinear effects that occur in the magnetic field line random walk on particle transport. We show that particle transport coefficients can be strongly influenced by the magnetic line trapping. The conditions that correspond to these nonlinear regimes are determined. We also analyze the effects produced by the space variation of the large-scale magnetic field. We show that an average drift is generated by the gradient of the magnetic field, which strongly increases and reverses its orientation in the nonlinear regime.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamics of electron scattering in absolutely transparent channels in three-barrier structures in the case of two-photon transitions

Solution of the Schrödinger equation, which describes resonant transitions between three quantum levels in large-signal and high-frequency electric fields, is generalized to the case of the detuning of frequencies and energies from those exactly resonant for asymmetric three-barrier resonance-tunneling structures with thin high barriers. The dependence of the shape of the resonance levels on the amplitude and frequency of electric fields is studied. It is shown that the number of regions of absolute transparency can be as large as four depending on the microwave-field amplitude.

36 MATERIALS SCIENCE↗

Vegetation and soils field research data base: Experiment summaries

Understanding of the relationships between the optical, spectral characteristics and important biological-physical parameters of earth-surface features can best be obtained by carefully controlled studies over fields and plots where complete data describing the condition of targets are attainable and where frequent, timely spectral measurement can be obtained. Development of a vegetation and soils field research data base was initiated in 1972 at Purdue University's Laboratory for Applications of Remote Sensing and expanded in the fall of 1974 by NASA as part of LACIE. Since then, over 250,000 truck-mounted and helicopter-borne spectrometer/multiband radiometer observations have been obtained of more than 50 soil series and 20 species of crops, grasses, and trees. These data are supplemented by an extensive set of biophysical and meteorological data acquired during each mission. The field research data form one of the most complete and best-documented data sets acquired for agricultural remote sensing research. Thus, they are well-suited to serve as a data base for research to: (1) quantiatively determine the relationships of spectral and biophysical characteristics of vegetation, (2) define future sensor systems, and (3) develop advanced data analysis techniques.

Biehl, L. L.↗

Ionization Study of Isomeric Molecules in Strong-field Laser Pulses

Through the use of the technique of time-of-flight mass spectroscopy, we obtain strong-field ionization yields for randomly oriented 1,2-dichloroethylene (1,2-DCE) (C 2 H 2 Cl 2 ) and 2-butene (C 4 H 8 ). Here, we are interested in studying the effect of conformal structure in strong-field ionization and, in particular, the role of molecular polarity. That is, we can perform strong-field ionization studies in polar vs non-polar molecules that have the same chemical composition. Here, we report our findings through the ionization yields and the ratio (trans/cis) of each stereoisomer pair as a function of intensity.

74 ATOMIC AND MOLECULAR PHYSICS↗

Suppression of the contribution of short trajectories into above-threshold ionisation spectra by a two-colour laser field

We have studied spectra of above-threshold ionisation of atoms by a two-colour laser field with collinear linearly polarised components. We have found a sharp (gap-like) dependence of the length of the high-energy plateau in above-threshold ionisation spectra on the relative phase of the two-colour field at comparable intensities of the field components. Using the quasi-classical analysis we have shown that this effect results from the suppression of partial above-threshold ionisation amplitudes, associated with closed classical trajectories of an electron in the laser field, within a certain range of relative phase values. (extreme laser radiation: physics and fundamental applications)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Unitary limit of two-nucleon interactions in strong magnetic fields

In this study, two-nucleon systems are shown to exhibit large scattering lengths in strong magnetic fields at unphysical quark masses, and the trends toward the physical values indicate that such features may exist in nature. Lattice QCD calculations of the energies of one and two nucleons systems are performed at pion masses of m π ~ 450 and 806 MeV in uniform, time-independent magnetic fields of strength |B| ~ 10 19 – 10 20 Gauss to determine the response of these hadronic systems to large magnetic fields. Fields of this strength may exist inside magnetars and in peripheral relativistic heavy ion collisions, and the unitary behavior at large scattering lengths may have important consequences for these systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advances in Fluorescence Sensing Systems for the Remote Assessment of Nitrogen Supply in Field Corn

The studies described herein were conducted to better define changes in fluorescence properties of leaves from field grown corn (Zea mays L.) as they relate to varying levels of nitrogen (N) fertilization. This research was directed toward: 1) providing a remote non-destructive sensing technique to aid in the determination of optimal rates of N fertilization in corn crops and, 2) defining parameters for further development of fluorescence instrumentation to be operated remotely at field canopy levels. Fluorescence imaging bands centered in the blue (450 nm), green (525 nm), red (680 nm), and far-red (740 nm) and ratios of these bands were compared with the following plant parameters: rates of photosynthesis, N:C ratio, pigment concentrations, and grain yields. Both the fluorescence and physiological measures exhibited similar curvilinear responses to N fertilization level while significant linear correlations were obtained among fluorescence bands and band ratios to certain physiological measures of plant productivity. The red / blue, red / green, far-red / blue, far-red /green fluorescence ratios are well suited for remote observation and provided high correlations to grain yield, LAI, N:C, and chlorophyll contents. The results from this investigation indicate that fluorescence technology could aid in the determination of N fertilization requirements for corn. This discussion will also address design concepts and preliminary field trials of a mobile field-based Laser Induced Fluorescence Imaging System (LIFIS) capable of simultaneously acquiring images of four fluorescence emission bands from areas of plant canopies equaling 1 sq m and greater without interference of ambient solar radiation.

Corp, L. A.↗

Studies of the Martian Magnetic Field

This report covers two awards: the first NAGW-2573 was awarded to enable participation in the Mars 94 mission that slipped to become the Mars 96 mission. Upon the unfortunate failure of Mars 96 to achieve its intended trajectory, the second grant was awarded to closeout the Mars 96 activities. Our initial efforts concentrated on assisting our colleagues: W. Riedler, K. Schwingenschuh, K. Gringanz, M. Verigin and Ye. Yeroshenko with advice on the development of the magnetic field portion of the investigation and to help them with test activities. We also worked with them to properly analyze the Phobos magnetic field and plasma data in order to optimize the return from the Mars 94/96 mission. This activity resulted in 18 papers on Mars scientific topics, and two on the instrumentation. One of these latter two papers was the last of the papers written, and speaks to the value of the closeout award. These 20 papers are listed in the attached bibliography. Because we had previously studied Venus and Titan and since it was becoming evident that the magnetic field was very weak, we compared the various properties of the Martian interaction with those of the analogous interactions at Venus and Titan while other papers simply analyzed the properties of the interaction as Phobos 2 observed them. One very interesting observation was the identification of ions picked up in the solar wind, originating in Mars neutral atmosphere. These had been predicted by our earlier observation of cyclotron waves at the proton gyrofrequency in the region upstream from Mars in the solar wind. Of course, the key question we addressed was that of the intrinsic or induced nature of the Martian magnetic field. We found little evidence for the former and much for the latter point of view. We also discussed the instrumentation planned for the Mars balloon and the instrumentation on the orbiter. In all these studies were very rewarding despite the short span of the Phobos data. Although they did not affect the eventual analysis of the Mars 96 data, these studies did pave the way for the Mars Global Surveyor and have been fully confirmed by the measurements at much closer distances than Phobos 2 ever reached. No patents or inventions resulted from the work.

Russell, C. T.↗

Influences of drizzle on stratocumulus cloudiness and organization [Influences of drizzle on cloudiness and stratocumulus organization]

Large-eddy simulations are used to study the influence of drizzle on stratocumulus organization, based on measurements made as part of the Second Dynamics and Chemistry of the Marine Stratocumulus field study-II. Cloud droplet number concentration ( N c ) is prescribed and considered as the proxy for different aerosol loadings. Our study shows that the amount of cloudiness does not decrease linearly with precipitation rate. An N c threshold is observed below which the removal of cloud water via precipitation efficiently reduces cloud depth, allowing evaporation to become efficient and quickly remove the remaining thin clouds, facilitating a fast transition from closed cells to open cells. Using Fourier analysis, stratocumulus length scales are found to increase with drizzle rates. Raindrop evaporation below 300 m lowers the cloud bases and amplifies moisture variances in the subcloud layer, while it does not alter the horizontal scales in the cloud layer, suggesting that moist cold pool dynamic forcings are not essential for mesoscale organization of stratocumulus. Furthermore, the cloud scales are greatly increased when the boundary layer is too deep to maintain well mixed.

54 ENVIRONMENTAL SCIENCES↗

GRIDS-Net: Inverse shape design and identification of scatterers via geometric regularization and physics-embedded deep learning

This study presents a deep learning based methodology for both remote sensing and design of acoustic scatterers. The ability to determine the shape of a scatterer, either in the context of material design or sensing, plays a critical role in many practical engineering problems. This class of inverse problems is extremely challenging due to their high-dimensional, nonlinear, and ill-posed nature. To overcome these technical hurdles, we introduce a geometric regularization approach for deep neural networks (DNN) based on non-uniform rational B-splines (NURBS) and capable of predicting complex 2D scatterer geometries in a parsimonious dimensional representation. Then, this geometric regularization is combined with physics-embedded learning and integrated within a robust convolutional autoencoder (CAE) architecture to accurately predict the shape of 2D scatterers in the context of identification and inverse design problems. Further, an extensive numerical study is presented in order to showcase the remarkable ability of this approach to handle complex scatterer geometries while generating physically-consistent acoustic fields. The study also assesses and contrasts the role played by the (weakly) embedded physics in the convergence of the DNN predictions to a physically consistent inverse design.

42 ENGINEERING↗

Enabling Sustainable Landscape Design for Continual Improvement of Operating Bioenergy Supply Systems

This unique and highly effective project catalyzed collaboration among government, university, and private sector partners through a multi-state research and technology transfer project designed to support continuous improvement of bioenergy feedstock supply systems. Conceived and built upon the foundation created by prior DOE investments in the Billion Ton Study, Sun Grant Regional Project, and many other feedstock production, harvest, storage and transportation studies, this project addressed seven tasks with more than 29 subtasks. All goals were met with key accomplishments being: (1) on-farm establishment of potential perennial plant mixtures that could not only become sustainable feedstock sources but also enhance soil health, (2) a reduction in potential wind and water erosion by improving corn stover harvest techniques and incorporating cover crops into current row-crop production systems, (3) reduced potential for surface and groundwater contamination while also increasing potential biodiversity and sustainability of Midwestern USA landscapes, and (4) development of site-specific land management, data visualization, and sustainability assessment tools. Twenty-two Case Studies highlighting accomplishments and lessons learned through this public-private partnership investment are incorporated into this final report. On-farm and replicated field plot studies were used to provide the real-world data needed to verify baseline assumptions for extensive feedstock logistic modeling and greenhouse gas (GHG) assessments needed to develop sustainable bioenergy and bio-product industries at national and international scales.

09 BIOMASS FUELS↗

L-band radar sensing of soil moisture

The performance of an L-band, 25 cm wavelength imaging synthetic aperture radar was assessed for soil moisture determination, and the temporal variability of radar returns from a number of agricultural fields was studied. A series of three overflights was accomplished over an agricultural test site in Kern County, California. Soil moisture samples were collected from bare fields at nine sites at depths of 0-2, 2-5, 5-15, and 15-30 cm. These gravimetric measurements were converted to percent of field capacity for correlation to the radar return signal. The initial signal film was optically correlated and scanned to produce image data numbers. These numbers were then converted to relative return power by linear interpolation of the noise power wedge which was introduced in 5 dB steps into the original signal film before and after each data run. Results of correlations between the relative return power and percent of field capacity (FC) demonstrate that the relative return power from this imaging radar system is responsive to the amount of soil moisture in bare fields. The signal returned from dry (15% FC) and wet (130% FC) fields where furrowing is parallel to the radar beam differs by about 10 dB.

Chang, A. T. C.↗

Predicting Two-Dimensional, Unsteady Turbulent Combustion

MIMOC calculates flow field and flame propagation in turbulent combustion tunnel. Program employs algorithm for turbulent combustion modeling described by Ghoniem, Chorin, and Oppenheim. Program used to study flow field in model combustor, formed by rearward-facing step in channel, in terms of vorticity field, velocity field, turbulent shear stresses, flame contours, and concentration field.

Marek, C. J.↗

Planetary astronomy in the 21st century - The study of planetary systems

A new scientific discipline has emerged in recent years, stimulated partly by advances in instrumental capability and partly by scientific discoveries. It is the study of systems of planets and of the interactive processes which link the planets with their central star. Two broad foci exist in this field: the study of other planetary systems and the study of the solar system. It is the thesis of this paper that the study of planetary systems will be a key discipline of the 21st century, and that it requires several observatories on the moon for its ultimate development.

Mumma, Michael J.↗

Study of laser-driven magnetic fields with a continuous wave Faraday rotation diagnostic

Magnetic fields driven by a laser in coil targets were studied for laser energies of ~25 J and two pulse durations of 2.8 ns and 70 ps. Axial magnetic fields in the coils were measured by continuous wave Faraday rotation diagnostics. The diagnostics indicated magnetic fields of 6–14 T in the coil and currents of 10–20 kA. Magnetic fields were compared for similar laser targets, focusing conditions, and laser energies. A 30-times increase in the intensity of the laser beam by reducing the pulse duration resulted in an increase in the magnetic field and current by a factor of 2. The relaxation time of the magnetic pulse was on the sub-microsecond scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗