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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

Observables, measurements and phase operators from a Bohmian perspective

Bohmian mechanics is a deterministic theory of point particles in motion. While avoiding all the paradoxes of nonrelativistic quantum mechanics, it yields the quantum formalism itself--especially the role of self-adjoint operators--as a macroscopic measurement formalism. As an 'application' it is shown that much of the confusion connected with the phase operator for the electromagnetic field arises from a misunderstanding of the role of operators in quantum theory.

Daumer, Martin↗

New squeezed landau states

We introduce a new set of squeezed states through the coupled two-mode squeezed operator. It is shown that their behavior is simpler than the correlated coherent states introduced by Dodonov, Kurmyshev, and Man'ko in order to quantum mechanically describe the Landau system, i.e., a planar charged particle in a uniform magnetic field. We compare results for both sets of squeezed states.

Aragone, C.↗

Applications of Quantum Theory of Atomic and Molecular Scattering to Problems in Hypersonic Flow

The general status of a grant to investigate the applications of quantum theory in atomic and molecular scattering problems in hypersonic flow is summarized. Abstracts of five articles and eleven full-length articles published or submitted for publication are included as attachments. The following topics are addressed in these articles: fragmentation of heavy ions (HZE particles); parameterization of absorption cross sections; light ion transport; emission of light fragments as an indicator of equilibrated populations; quantum mechanical, optical model methods for calculating cross sections for particle fragmentation by hydrogen; evaluation of NUCFRG2, the semi-empirical nuclear fragmentation database; investigation of the single- and double-ionization of He by proton and anti-proton collisions; Bose-Einstein condensation of nuclei; and a liquid drop model in HZE particle fragmentation by hydrogen.

Malik, F. Bary↗

Rigid rotators

The two-particle, steady-state Schroedinger equation is transformed to center of mass and internuclear distance vector coordinates, leading to the free particle wave equation for the kinetic energy motion of the molecule and a decoupled wave equation for a single particle of reduced mass moving in a spherical potential field. The latter describes the vibrational and rotational energy modes of the diatomic molecule. For fixed internuclear distance, this becomes the equation of rigid rotator motion. The classical partition function for the rotator is derived and compared with the quantum expression. Molecular symmetry effects are developed from the generalized Pauli principle that the steady-state wave function of any system of fundamental particles must be antisymmetric. Nuclear spin and spin quantum functions are introduced and ortho- and para-states of rotators, along with their degeneracies, are defined. Effects of nuclear spin on entropy are deduced. Next, rigid polyatomic rotators are considered and the partition function for this case is derived. The patterns of rotational energy levels for nonlinear molecules are discussed for the spherical symmetric top, for the prolate symmetric top, for the oblate symmetric top, and for the asymmetric top. Finally, the equilibrium energy and specific heat of rigid rotators are derived.

Source record↗

Particle physics meets cosmology - The search for decaying neutrinos

The fundamental physical implications of the possible detection of massive neutrinos are discussed, with an emphasis on the Grand Unified Theories (GUTs) of matter. The Newtonian and general-relativistic pictures of the fundamental forces are compared, and the reduction of electromagnetic and weak forces to one force in the GUTs is explained. The cosmological consequences of the curved-spacetime gravitation concept are considered. Quarks, leptons, and neutrinos are characterized in a general treatment of elementary quantum mechanics. The universe is described in terms of quantized fields, the noninteractive 'particle' fields and the force fields, and cosmology becomes the study of the interaction of gravitation with the other fields, of the 'freezing out' of successive fields with the expansion and cooling of the universe. While the visible universe is the result of the clustering of the quark and electron fields, the distribution of the large number of quanta in neutrino field, like the mass of the neutrino, are unknown. Cosmological models which attribute anomalies in the observed motions of galaxies and stars to clusters or shells of massive neutrinos are shown to be consistent with a small but nonzero neutrino mass and a universe near the open/closed transition point, but direct detection of the presence of massive neutrinos by the UV emission of their decay is required to verify these hypotheses.

Henry, R. C.↗

On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.

Thuemmel, Helmar T.↗

Transverse conductivity of a relativistic plasma in oblique electric and magnetic fields

Resistive tearing in a primary candidate for flares occurring in stressed magnetic fields. Its possible application to the strongly magnetized environments (Hz about 10 to the 12th G) near the surface of neutron stars, particularly as a mechanism for generating the plasma heating and particle acceleration leading to gamma-ray bursts, has motivated a quantum treatment of this process, which requires knowledge of the electrical conductivity sigma of a relativistic gas in a new domain (i.e., that of a low-density n/e/) plasma in oblique electric and magnetic fields. This paper discusses the mathematical formalism for calculating sigma and present numerical results for a wide range of parameter values. The results indicate that sigma depends very strongly on both the applied electric and magnetic fields.

Melia, Fulvio↗

Current Perspectives in High Energy Astrophysics

High energy astrophysics is a space-age discipline that has taken a quantum leap forward in the 1990s. The observables are photons and particles that are unable to penetrate the atmosphere and can only be observed from space or very high altitude balloons. The lectures presented as chapters of this book are based on the results from the Compton Gamma-Ray Observatory (CGRO) and Advanced Satellite for Cosmology and Astrophysics (ASCA) missions to which the Laboratory for High Energy Astrophysics at NASA's Goddard Space Flight Center made significant hardware contributions. These missions study emissions from very hot plasmas, nuclear processes, and high energy particle interactions in space. Results to be discussed include gamma-ray beaming from active galactic nuclei (AGN), gamma-ray emission from pulsars, radioactive elements in the interstellar medium, X-ray emission from clusters of galaxies, and the progress being made to unravel the gamma-ray burst mystery. The recently launched X-ray Timing Explorer (XTE) and prospects for upcoming Astro-E and Advanced X-ray Astronomy Satellite (AXAF) missions are also discussed.

Ormes, Jonathan F.↗

Introduction to Physical Intelligence

A slight deviation from Newtonian dynamics can lead to new effects associated with the concept of physical intelligence. Non-Newtonian effects such as deviation from classical thermodynamic as well as quantum-like properties have been analyzed. A self-supervised (intelligent) particle that can escape from Brownian motion autonomously is introduced. Such a capability is due to a coupling of the particle governing equation with its own Liouville equation via an appropriate feedback. As a result, the governing equation is self-stabilized, and random oscillations are suppressed, while the Liouville equation takes the form of the Fokker-Planck equation with negative diffusion. Non- Newtonian properties of such a dynamical system as well as thermodynamical implications have been evaluated.

Zak, Michail↗

Scattering and Diffraction of Electromagnetic Radiation: An Effective Probe to Material Structure

Scattered electromagnetic waves from material bodies of different forms contain, in an intricate way, precise information on the intrinsic, geometrical and physical properties of the objects. Scattering theories, ever deepening, aim to provide dependable interpretation and prediction to the complicated interaction of electromagnetic radiation with matter. There are well-established multiple-scattering formulations based on classical electromagnetic theories. An example is the Generalized Multi-particle Mie-solution (GMM), which has recently been extended to a special version ̶ the GMM-PA approach, applicable to finite periodic arrays consisting of a huge number (e.g., >>106) of identical scattering centers [1]. The framework of the GMM-PA is nearly complete. When the size of the constituent unit scatterers becomes considerably small in comparison with incident wavelength, an appropriate array of such small element volumes may well be a satisfactory representation of a material entity having an arbitrary structure. X-ray diffraction is a powerful characterization tool used in a variety of scientific and technical fields, including material science. A diffraction pattern is nothing more than the spatial distribution of scattered intensity, determined by the distribution of scattering matter by way of its Fourier transform [1]. Since all linear dimensions entered into Maxwell's equations are normalized by wavelength, an analogy exists between optical and X-ray diffraction patterns. A large set of optical diffraction patterns experimentally obtained can be found in the literature [e.g., 2,3]. Theoretical results from the GMM-PA have been scrutinized using a large collection of publically accessible, experimentally obtained Fraunhofer diffraction patterns. As far as characteristic structures of the patterns are concerned, theoretical and experimental results are in uniform agreement; no exception has been found so far. Closely connected with the spatial distribution of scattered intensities are cross sections, such as for extinction, scattering, absorption, and radiation pressure, as a critical type of key quantity addressed in most theoretical and experimental studies of radiative scattering. Cross sections predicted from different scattering theories are supposed to be in general agreement. For objects of irregular shape, the GMM-PA solutions can be compared with the highly flexible Discrete Dipole Approximation (DDA) [4,5] when dividing a target to no more than ~106 unit cells. Also, there are different ways to calculate the cross sections in the GMM-PA, providing an additional means to examine the accuracy of the numerical solutions and to unveil potential issues concerning the theoretical formulations and numerical aspects. To solve multiple scattering by an assembly of material volumes through classical theories such as the GMM-PA, the radiative properties of the component scatterers, the complex refractive index in particular, must be provided as input parameters. When using a PA to characterize a material body, this involves the use of an adequate theoretical tool, an effective medium theory, to connect Maxwell's phenomenogical theory with the atomistic theory of matter. In the atomic theory, one regards matter as composed of interacting particles (atoms and molecules) embedded in the vacuum [6]. However, the radiative properties of atomic-scaled particles are known to be substantially different from bulk materials. Intensive research efforts in the fields of cluster science and nanoscience attempt to bridge the gap between bulk and atom and to understand the transition from classical to quantum physics. The GMM-PA calculations, which place virtually no restriction on the component-particle size, might help to gain certain insight into the transition.

Xu, Yu-Lin↗

The energy separation between the classical and nonclassical isomers of protonated acetylene - An extensive study in one- and n-particle space saturation

The energy separation between the classical and nonclassical forms of protonated acetylene has been reinvestigated in light of the recent experimentally deduced lower bound to this value of 6.0 kcal/mol. The objective of the present study is to use state-of-the-art ab initio quantum mechanical methods to establish this energy difference to within chemical accuracy (i.e., about 1 kcal/mol). The one-particle basis sets include up to g-type functions and the electron correlation methods include single and double excitation coupled-cluster (CCSD), the CCSD(T) extension, multireference configuration interaction, and the averaged coupled-pair functional methods. A correction for zero-point vibrational energies has also been included, yielding a best estimate for the energy difference between the classical and nonclassical forms of 3.7 + or - 1.3 kcal/mol.

Lindh, Roland↗

Electromagnetic potential vectors and the Lagrangian of a charged particle

Maxwell's equations can be shown to imply the existence of two independent three-dimensional potential vectors. A comparison between the potential vectors and the electric and magnetic field vectors, using a spatial Fourier transformation, reveals six independent potential components but only four independent electromagnetic field components for each mode. Although the electromagnetic fields determined by Maxwell's equations give a complete description of all possible classical electromagnetic phenomena, potential vectors contains more information and allow for a description of such quantum mechanical phenomena as the Aharonov-Bohm effect. A new result is that a charged particle Lagrangian written in terms of potential vectors automatically contains a 'spontaneous symmetry breaking' potential.

Shebalin, John V.↗

Infrared response from metallic particles embedded in a single-crystal Si matrix - The layered internal photoemission sensor

Infrared radiation at wavelengths of 1-2 microns has been detected in a new device labeled the layered internal photoemission sensor. The device structure, which is grown by molecular beam epitaxy, incorporates epitaxial CoSi2 particles with dimensions of 10-50 nm. Radiation absorbed by these particles photoexcites carriers into a surrounding single-crystal silicon matrix. A peak quantum efficiency of 1.3 percent is measured, which is approximately six times higher than in planar CoSi2 Schottky diodes with 5-nm silicide thickness.

Fathauer, R. W.↗

Challenges in 21st Century Physics

We are truly fortunate to live in one of the great epochs of human discovery, a time when science is providing new visions and understanding about ourselves and the world in which we live. At last, we are beginning to explore the Universe itself. One particularly exciting area of advancement is high-energy physics where several existing concepts will be put to the test. A brief survey will be given of accomplishments in 20th Century physics. These include relativity and quantum physics which have produced breakthroughs in cosmology, astrophysics, and high-energy particle physics. The current situation is then assessed, combining the last 100 years of progress with new 21st Century challenges about unification and where to go next. Finally, the future is upon us. The next frontier in experimental high-energy physics, the Large Hadron Collider (LHC) at CERN in Geneva, is scheduled to begin coming online this year (2007). The potential for the LHC to address several of the significant problems in physics today will be discussed, as this great accelerator examines the predictions of the Standard Model of particle physics and even cosmology. New physics and new science will surely emerge and a better vision of the world will unfold.

Wilson, Thomas L.↗

Initiating Molecular Growth in the Interstellar Medium via Dimeric Complexes of Observed Ions and Molecules

A feasible initiation step for particle growth in the interstellar medium (ISM) is simulated by means of ab quantum chemistry methods. The systems studied are dimer ions formed by pairing nitrogen containing small molecules known to exist in the ISM with ions of unsaturated hydrocarbons or vice versa. Complexation energies, structures of ensuing complexes and electronic excitation spectra of the encounter complexes are estimated using various quantum chemistry methods. Moller-Plesset perturbation theory (MP2, Z-averaged perturbation theory (ZAP2), coupled cluster singles and doubles with perturbative triples corrections (CCSD(T)), and density functional theory (DFT) methods (B3LYP) were employed along with the correlation consistent cc-pVTZ and aug-cc-pVTZ basis sets. Two types of complexes are predicted. One type of complex has electrostatic binding with moderate (7-20 kcal per mol) binding energies, that are nonetheless significantly stronger than typical van der Waals interactions between molecules of this size. The other type of complex develops strong covalent bonds between the fragments. Cyclic isomers of the nitrogen containing complexes are produced very easily by ion-molecule reactions. Some of these complexes show intense ultraviolet visible spectra for electronic transitions with large oscillator strengths at the B3LYP, omegaB97, and equations of motion coupled cluster (EOM-CCSD) levels. The open shell nitrogen containing carbonaceous complexes especially exhibit a large oscillator strength electronic transition in the visible region of the electromagnetic spectrum.

Bera, Partha P.↗