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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Squeezing Alters Frequency Tuning of WGM Optical Resonator

Mechanical squeezing has been found to alter the frequency tuning of a whispering-gallery-mode (WGM) optical resonator that has an elliptical shape and is made of lithium niobate. It may be possible to exploit this effect to design reconfigurable optical filters for optical communications and for scientific experiments involving quantum electrodynamics. Some background information is prerequisite to a meaningful description of the squeezing-induced alteration of frequency tuning: The spectrum of a WGM resonator is represented by a comblike plot of intensity versus frequency. Each peak of the comblike plot corresponds to an electromagnetic mode represented by an integer mode number, and the modes are grouped into sets represented by integer mode indices. Because lithium niobate is an electro-optically active material, the WGM resonator can be tuned (that is, the resonance frequencies can be shifted) by applying a suitable bias potential. The frequency shift of each mode is quantified by a tuning rate defined as the ratio between the frequency shift and the applied potential. In the absence of squeezing, all modes exhibit the same tuning rate. This concludes the background information. It has been demonstrated experimentally that when the resonator is squeezed along part of either of its two principal axes, tuning rates differ among the groups of modes represented by different indices (see figure). The differences in tuning rates could be utilized to configure the resonance spectrum to obtain a desired effect; for example, through a combination of squeezing and electrical biasing, two resonances represented by different mode indices could be set at a specified frequency difference something that could not be done through electrical biasing alone.

Mohageg, Makan↗
NASA NTRS1991

Experimental investigations of He II flows at high Reynolds number

Fluid dynamics studies of He II at high Reynolds number (Re(d) greater than 10 exp 6) reveal characteristics which are best interpreted in terms of classical scaling relationships. In particular, the smooth tube friction factor is seen to correlate with the Von Karman-Nikuradse formulation. Also, the performance of a centrifugal pump is unchanged whether being used with He I or He II. These effects are expected to result provided the He II possesses a viscous sublayer and that the drag is determined by laminar flow within this layer. On the other hand, heat transfer in He II is substantially different from that of He I because of the unique internal convection mechanism present in this quantum fluid. These experiments are performed in the University of Wisconsin liquid helium flow facility which has unique capabilities of He II temperature, pressure and flow.

Van Sciver, Steve W.↗
NASA NTRS2010

Active Galaxy Unification in the Era of X-Ray Polarimetry

Active galactic nuclei (AGNs), Seyfert galaxies, and quasars are powered by luminous accretion and often accompanied by winds that are powerful enough to affect the AGN mass budget, and whose observational appearance bears an imprint of processes that are happening within the central parsec around the black hole (BH). One example of such a wind is the partially ionized gas responsible for X-ray and UV absorption (warm absorbers). Here, we show that such gas will have a distinct signature when viewed in polarized X-rays. Observations of such polarization can test models for the geometry of the flow and the gas responsible for launching and collimating it. We present calculations that show that the polarization depends on the hydrodynamics of the flow, the quantum mechanics of resonance-line scattering, and the transfer of polarized X-ray light in the highly ionized moving gas. The results emphasize the three-dimensional nature of the wind for modeling spectra. We show that the polarization in the 0.1-10 keV energy range is dominated by the effects of resonance lines. We predict a 5%-25% X-ray polarization signature of type-2 objects in this energy range. These results are generalized to flows that originate from a cold torus-like structure, located approximately 1 pc from the BH, which wraps the BH and is ultimately responsible for the apparent dichotomy between type 1 and type 2 AGNs. Such signals will be detectable by future dedicated X-ray polarimetry space missions, such as the NASA Gravity and Extreme Magnetism Small Explorer SMEX, "GEMS" Swank et al. (2008).

Dorodnitsyn, A.↗
NASA NTRS2010

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very loud incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it. The scattering weave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts the exchange approximation has only been considered. We calculate the laser assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Bhatia, A. K.↗
NASA NTRS2009

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very low incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it The scattering wave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts, the exchange approximation has only been considered. We calculate the laser-assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Bhatia, Anand K.↗
NASA NTRS1973

A new effect in the depolarization of resonant light scattering from molecules in the vapor phase: I2

Theoretical discussions of the depolarization ratios in two types of resonance processes are given. These processes are discrete state resonance fluorescence, and Raman scattering when the resonance is between a bound state and evanescent-dissociative states. Theory predicts a dramatic difference for these two cases due to a quantum mechanical phase cancellation in the case of virtual dissociative states. The predictions have been verified experimentally.

Silverstein, S. D.↗
NASA NTRS1983

Remote sensing of vegetation and soil moisture

Progress in the investigation of problems related to the remote sensing of vegetation and soil moisture is reported. Specific topics addressed include: (1) microwave scattering from periodic surfaces using a rigorous modal technique; (2) combined random rough surface and volume scattering effects; (3) the anisotropic effects of vegetation structures; (4) the application of the strong fluctuation theory to the the study of electromagnetic wave scattering from a layer of random discrete scatterers; and (5) the investigation of the scattering of a plane wave obliquely incident on a half space of densely distributed spherical dielectric scatterers using a quantum mechanical potential approach.

Kong, J. A.↗
NASA NTRS1984

Ultrasonic attenuation of a void-containing medium for very long wavelengths

Ultrasonic longitudinal through-thickness attenuation in an isotropic medium due to scattering by randomly distributed voids is considered analytically. The attenuation is evaluated on the assumption of no interaction between voids. The scattered power is assumed to be entirely lost, thus accounting for the ultrasonic attenuation. The scattered power due to the presence of a void is described in terms of the scattering cross section of the void. An exact solution exists for the scattering cross section of a spherical void. An approximate solution for the scattering cross section of an ellipsoidal void is developed based on the so-called Born approximation commonly used in quantum mechanics. This approximate solution is valid for k sub p a sub i much less than 1, where k sub p is the wave number of the incident longitudinal wave and a sub i is the largest dimension of the void. It is found that the shape of the void has negligible effect on the scattering cross section and that only the volume of the void is important. Thus, it is noted that in cases where k sub p a sub i is much less than 1, the exact scattering cross section of a spherical void having the same volume as an arbitrarily shaped void can be used for evaluating ultrasonic attenuation. Previously announced in STAR as N83-28466

Williams, J. H., Jr.↗
NASA NTRS1992

An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

Quantum mechanical computational methods are employed for an ab initio investigation of: (1) the molecular properties of the lowest isomers of the ClO dimer; and (2) predicted molecular and thermochemical properties. Techniques employed include electron correlation and particularly singles and doubles coupled-cluster (CCSD) theory with or without perturbational estimates of the effects of connected triple excitations. The isomers ClOClO and ClClO2 are found to have higher energies than the ClOOCl isomer, and the theoretical vibrational frequencies of the isomers are well correlated with experimental data. Experimental values of the heat of formation for the isomers are also compared with calculations based on an isodesmic reaction with Cl2O, H2O, and HOOH.

Lee, Timothy J.↗
NASA NTRS1993

Prediction of nonlinear optical properties of organic materials. General theoretical considerations

The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.

Cardelino, B.↗
NASA NTRS1993

Photodissociation of HBr/LiF(001): A quantum mechanical model

The photodissociation dynamics of HBr adsorbed on a LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation lineshape and the Br(P(sub 1/2)-2)/Br(P(sub 3/2)-2) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. The field polarization is found to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.

Seideman, Tamar↗
NASA NTRS2004

Photoionization in Ultraviolet Processing of Astrophysical Ice Analogs at Cryogenic Temperatures

Two recent experimental studies have demonstrated that amino acids or amino acid precursors are generated when astrophysical ice analogs are subjected to ultraviolet (UV) irradiation at cryogenic temperatures. Understanding the complete phenomenology of photoprocessing is critical to elucidating chemical reaction mechanisms that can function within an ice matrix under very cold conditions. Pushing beyond the much better characterized study of photolytic dissociation of chemical bonds through electronic excitation, this work explored the ability of UV radiation present in the interstellar medium to ionize small molecules embedded in ices. Quantum chemical calculations, including bulk solvation effects, were used to study the ionization of hydrogen (H2), water, and methanol (CH3OH) bound in small clusters of water. Ionization potentials were found to be much smaller in the condensed phase than in the gas phase; even a small cluster can account for large changes in the ionization potentials in ice, as well as the known formation of an OH--H3O+ pair in the case of H2O photoionization. To gauge the impact of photoionization on subsequent grain chemistry, the reaction between OH and CO in the presence of H3O+ was studied and compared with the potential energy surface without hydronium present, which is relevant to chemistry following photolysis. The differences indicate that the reaction is somewhat more likely to proceed to products (H + CO2) in the case of photoionization.

Woon, David E.↗
NASA NTRS1992

Importance of parametrizing constraints in quantum-mechanical variational calculations

In variational calculations of quantum mechanics, constraints are sometimes imposed explicitly on the wave function. These constraints, which are deduced by physical arguments, are often not uniquely defined. In this work, the advantage of parametrizing constraints and letting the variational principle determine the best possible constraint for the problem is pointed out. Examples are carried out to show the surprising effectiveness of the variational method if constraints are parameterized. It is also shown that misleading results may be obtained if a constraint is not parameterized.

Chung, Kwong T.↗
NASA NTRS2007

Can the Hypothesis 'Photon Interferes only with Itself' be Reconciled with Superposition of Light from Multiple Beams or Sources?

Any superposition effect as measured (SEM) by us is the summation of simultaneous stimulations experienced by a detector due to the presence of multiple copies of a detectee each carrying different values of the same parameter. We discus the cases with light beams carrying same frequency for both diffraction and multiple beam Fabry-Perot interferometer and also a case where the two superposed light beams carry different frequencies. Our key argument is that if light really consists of indivisible elementary particle, photon, then it cannot by itself create superposition effect since the state vector of an elementary particle cannot carry more than one values of any parameter at the same time. Fortunately, semiclassical model explains all light induced interactions using quantized atoms and classical EM wave packet. Classical physics, with its deeper commitment to Reality Ontology, was better prepared to nurture the emergence of Quantum Mechanics and still can provide guidance to explore nature deeper if we pay careful attention to successful classical formulations like Huygens-Fresnel diffraction integral.

Roychoudhuri, Chandrasekhar↗
NASA NTRS1975

Effect of molecular angular momentum on the thermal conductivity of a multicomponent gas mixture

The effects of molecular angular momentum (spin polarization) on the thermal conductivity of a multicomponent gas mixture are considered. The Wang Chang-Uhlenbeck approach to the kinetic theory of gases with internal states is used. Formal results are obtained for the thermal conductivity of a gas mixture of uniform composition. These results are given in terms of the quantum mechanical degeneracy-averaged cross section.

Biolsi, L.↗
NASA NTRS1979

Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes

An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.

Lam, K. S.↗
NASA NTRS2001

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

Jaffe, Richard L.↗
NASA NTRS2012

Free-Free Transitions in the Presence of Laser Fields and Debye Potential at Very Low Incident Electron Energies

We study the free-free transition in electron-helium ion in the ground state and embedded in a Debye potential in the presence of an external laser field at very low incident electron energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen as monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser field in a nonperturbative manner by choosing Volkov wave function for it. The scattering wave function for the incident electron on the target embedded in a Debye potential is solved numerically by taking into account the effect of electron exchange. We calculate the laser-assisted differential and total cross sections for free-free transition for absorption/emission of a single photon or no photon exchange. The results will be presented at the conference.

Bhatia, Anand↗