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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Alfvén wave collisions, the fundamental building block of plasma turbulence. III. Theory for experimental design

Turbulence in space and astrophysical plasmas is governed by the nonlinear interactions between counterpropagating Alfvén waves. Here, we present the theoretical considerations behind the design of the first laboratory measurement of an Alfvén wave collision, the fundamental interaction underlying Alfvénic turbulence. By interacting a relatively large-amplitude, low-frequency Alfvén wave with a counterpropagating, smaller-amplitude, higher-frequency Alfvén wave, the experiment accomplishes the secular nonlinear transfer of energy to a propagating daughter Alfvén wave. The predicted properties of the nonlinearly generated daughter Alfvén wave are outlined, providing a suite of tests that can be used to confirm the successful measurement of the nonlinear interaction between counterpropagating Alfvén waves in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Fundamental studies on the Cs dynamics under ion source conditions

The performance of surface conversion based negative hydrogen ion sources is mainly determined by the caesium dynamics. Therefore, fundamental investigations in vacuum and plasma are performed at a flexible laboratory setup with ion source parameters. Studies on the influence of Cs on the plasma parameters of H{sub 2} and D{sub 2} plasmas showed that n{sub e} and T{sub e} in the bulk plasma are not affected by relevant amounts of Cs and no isotopic differences could be observed. The coating of the vessel surfaces with Cs, however, leads to a considerable gettering of hydrogen atoms from the plasma volume and to the decrease of n{sub e} close to a sample surface due to the formation of negative ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Radioactive ion beam transportation for the fundamental symmetry study with laser-trapped atoms

The search for the violation of the fundamental symmetry in a radioactive atom is the promising candidate for precision tests of the standard model and its possible extensions. The subtle signal arising from the symmetry violation is enhanced in heavy atoms, such as a francium (Fr). To realize high precision measurements, a large amount of radioactive isotopes is required. The Fr is produced via a nuclear fusion reaction using a melted gold target with a {sup 18}O primary beam at Cyclotron and Radioisotope Center, Tohoku University. The maximum extraction efficiency of the Fr ion was achieved at approximately 35%. The beam line consists of an electrostatic deflector, three electrostatic quadrupole triplets to the measurement area at 10 m away from the reaction point, and several beam diagnosis systems. We optimized parameters of the beam line.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Fundamental Equation of State for Deuterium

World utilization of deuterium is anticipated to increase with the rise of fusion-energy machines such as ITER and NIF. We present a new fundamental equation of state for the thermodynamic properties of fluid deuterium. Differences between thermodynamic properties of orthodeuterium, normal deuterium, and paradeuterium are described. Separate ideal-gas functions were fitted for these separable forms together with a single real-fluid residual function. The equation of state is valid from the melting line to a maximum pressure of 2000 MPa and an upper temperature limit of 600 K, corresponding to available experimental measurements. The uncertainty in predicted density is 0.5% over the valid temperature range and pressures up to 300 MPa. The uncertainties of vapor pressures and saturated liquid densities are 2% and 3%, respectively, while speed-of-sound values are accurate to within 1% in the liquid phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride

The Quantum Theory of Atoms In Molecules/Charge-Charge Flux-Dipole Flux (QTAIM/CCFDF) model has been used to investigate the electronic structure variations associated with intensity changes on dimerization for the vibrations of the water and hydrogen fluoride dimers as well as in the water-hydrogen fluoride complex. QCISD/cc-pVTZ wave functions applied in the QTAIM/CCFDF model accurately provide the fundamental band intensities of water and its dimer predicting symmetric and antisymmetric stretching intensity increases for the donor unit of 159 and 47 km mol{sup −1} on H-bond formation compared with the experimental values of 141 and 53 km mol{sup −1}. The symmetric stretching of the proton donor water in the dimer has intensity contributions parallel and perpendicular to its C{sub 2v} axis. The largest calculated increase of 107 km mol{sup −1} is perpendicular to this axis and owes to equilibrium atomic charge displacements on vibration. Charge flux decreases occurring parallel and perpendicular to this axis result in 42 and 40 km mol{sup −1} total intensity increases for the symmetric and antisymmetric stretches, respectively. These decreases in charge flux result in intensity enhancements because of the interaction contributions to the intensities between charge flux and the other quantities. Even though dipole flux contributions are much smaller than the charge and charge flux ones in both monomer and dimer water they are important for calculating the total intensity values for their stretching vibrations since the charge-charge flux interaction term cancels the charge and charge flux contributions. The QTAIM/CCFDF hydrogen-bonded stretching intensity strengthening of 321 km mol{sup −1} on HF dimerization and 592 km mol{sup −1} on HF:H{sub 2}O complexation can essentially be explained by charge, charge flux and their interaction cross term. Atomic contributions to the intensities are also calculated. The bridge hydrogen atomic contributions alone explain 145, 237, and 574 km mol{sup −1} of the H-bond stretching intensity enhancements for the water and HF dimers and their heterodimer compared with total increments of 149, 321, and 592 km mol{sup −1}, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Spectral shapes of Ar-broadened HCl lines in the fundamental band by classical molecular dynamics simulations and comparison with experiments

Spectral shapes of isolated lines of HCl perturbed by Ar are investigated for the first time using classical molecular dynamics simulations (CMDS). Using reliable intermolecular potentials taken from the literature, these CMDS provide the time evolution of the auto-correlation function of the dipole moment, whose Fourier-Laplace transform leads to the absorption spectrum. In order to test these calculations, room temperature spectra of various lines in the fundamental band of HCl diluted in Ar are measured, in a large pressure range, with a difference-frequency laser spectrometer. Comparisons between measured and calculated spectra show that the CMDS are able to predict the large Dicke narrowing effect on the shape of HCl lines and to satisfactorily reproduce the shapes of HCl spectra at different pressures and for various rotational quantum numbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride

The number of singly occupied orbitals in the ground-state atomic configuration of an element defines its nominal valence. For carbon and sulfur, with two singly occupied orbitals in their {sup 3}P ground states, the nominal valence is two. However, in both cases, it is possible to form more bonds than indicated by the nominal valence—up to four bonds for carbon and six bonds for sulfur. In carbon, the electrons in the 2s lone pair can participate in bonding, and in sulfur the electrons in both the 3p and 3s lone pairs can participate. Carbon 2s and sulfur 3p recoupled pair bonds are the basis for the tetravalence of carbon and sulfur, and 3s recoupled pair bonds enable sulfur to be hexavalent. In this paper, we report generalized valence bond as well as more accurate calculations on the a{sup 4}Σ{sup −} states of CF and SF, which are archetypal examples of molecules that possess recoupled pair bonds. These calculations provide insights into the fundamental nature of recoupled pair bonds and illustrate the key differences between recoupled pair bonds formed with the 2s lone pair of carbon, as a representative of the early p-block elements, and recoupled pair bonds formed with the 3p lone pair of sulfur, as a representative of the late p-block elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Fundamental aspects of recoupled pair bonds. II. Recoupled pair bond dyads in carbon and sulfur difluoride

Formation of a bond between a second ligand and a molecule with a recoupled pair bond results in a recoupled pair bond dyad. We examine the recoupled pair bond dyads in the a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2}, which are formed by the addition of a fluorine atom to the a{sup 4}Σ{sup −} states of CF and SF, both of which possess recoupled pair bonds. The two dyads are very different. In SF{sub 2}, the second FS–F bond is very strong (D{sub e} = 106.3 kcal/mol), the bond length is much shorter than that in the SF(a{sup 4}Σ{sup −}) state (1.666 Å versus 1.882 Å), and the three atoms are nearly collinear (θ{sub e} = 162.7°) with only a small barrier to linearity (0.4 kcal/mol). In CF{sub 2}, the second FC–F bond is also very strong (D{sub e} = 149.5 kcal/mol), but the bond is only slightly shorter than that in the CF(a{sup 4}Σ{sup −}) state (1.314 Å versus 1.327 Å), and the molecule is strongly bent (θ{sub e} = 119.0°) with an 80.5 kcal/mol barrier to linearity. The a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2} illustrate the fundamental differences between recoupled pair bond dyads formed from 2s and 3p lone pairs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Sub-nanosecond delays of light emitted by streamer in atmospheric pressure air: Analysis of N{sub 2}(C{sup 3}Π{sub u}) and N{sub 2}{sup +}(B{sup 2}Σ{sub u}{sup +}) emissions and fundamental streamer structure

Theoretical analysis of ultra-short phenomena occurring during the positive streamer propagation in atmospheric pressure air is presented. Motivated by experimental results obtained with tens-of-picoseconds and tens-of-microns precision, it is shown that when the streamer head passes a spatial coordinate, emission maxima from N{sub 2} and N{sub 2}{sup +} radiative states follow with different delays. These different delays are caused by differences in the dynamics of populating the radiative states, due to different excitation and quenching rates. Associating the position of the streamer head with the maximum value of the self-enhanced electric field, a delay of 160 ps was experimentally found for the peak emission of the first negative system of N{sub 2}{sup +}. A delay dilatation was observed experimentally on early-stage streamers and the general mechanism of this phenomenon is clarified theoretically. In the case of the second positive system of N{sub 2}, the delay can reach as much as 400 ps. In contrast to the highly nonlinear behavior of streamer events, it is shown theoretically that emission maximum delays linearly depend on the ratio of the streamer radius and its velocity. This is found to be one of the fundamental streamer features and its use in streamer head diagnostics is proposed. Moreover, radially resolved spectra are synthesized for selected subsequent picosecond moments in order to visualize spectrometric fingerprints of radial structures of N{sub 2}(C{sup 3}Π{sub u}) and N{sub 2}{sup +}(B{sup 2}Σ{sub u}{sup +}) populations created by streamer-head electrons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dual-cavity mode converter for a fundamental mode output in an over-moded relativistic backward-wave oscillator

A dual-cavity TM{sub 02}–TM{sub 01} mode converter is designed for a dual-mode operation over-moded relativistic backward-wave oscillator. With the converter, the fundamental mode output is achieved. Particle-in-cell simulation shows that the efficiency of beam-wave conversion was over 46% and a pureTM{sub 01} mode output was obtained. Effects of end reflection provided by the mode converter were studied. Adequate TM{sub 01} mode feedback provided by the converter enhances conversion efficiency. The distance between the mode converter and extraction cavity critically affect the generation of microwaves depending on the reflection phase of TM{sub 01} mode feedback.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Temperature dependence of the fundamental excitonic resonance in lead-salt quantum dots

The temperature dependences of the fundamental excitonic resonance in PbS and PbSe quantum dots fabricated by various technologies are experimentally determined. Above ∼150 K, sub-linearities of the temperature shifts and halfwidths are observed. This behavior is analyzed within the existing standard models. Concordant modeling, however, becomes possible only within the frame of a three-level system that takes into account both bright and dark excitonic states as well as phonon-assisted carrier redistribution between these states. Our results show that luminescence characterization of lead-salt quantum dots necessarily requires both low temperatures and excitation densities in order to provide reliable ensemble parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spectroscopic studies of magnesium plasma produced by fundamental and second harmonics of Nd:YAG laser

In the present experimental work, laser induced magnesium plasma has been characterized using plasma parameters. The plasma has been generated by the fundamental (1064 nm) and second harmonics (532 nm) of Nd:YAG laser. The plasma parameters such as electron temperature and electron number density have been extracted using Boltzmann plot method and Stark broadened line profile, respectively. The laser irradiance dependence and spatial behavior of electron temperature and number density in laser induced magnesium plasma have been studied. The electron temperature as a function of laser irradiance (0.5 to 6.5 GW/cm{sup 2}) ranges from (9.16–10.37) × 10{sup 3 }K and (8.5–10.1)× 10{sup 3 }K, and electron number density from (0.99–1.08) × 10{sup 16} cm{sup −3} and (1.04–1.22) × 10{sup 16}cm{sup −3} for 1064 and 532 nm, respectively. These parameters exhibit fast increase at low laser irradiance and slow increase at high irradiance. The spatial distribution of electron temperature and electron number density shows same decreasing trend up to 2.25 mm from the target surface. The electron temperature and number density decrease from (9.5–8.6) × 10{sup 3 }K, (1.27–1.15) × 10{sup 16}cm{sup −3} and (10.56–8.85)× 10{sup 3 }K, (1.08–0.99) × 10{sup 16} cm{sup −3} for 532 nm and 1064 nm laser ablation wavelengths, respectively.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Simultaneous negative refraction and focusing of fundamental frequency and second-harmonic fields by two-dimensional photonic crystals

Simultaneous negative refraction for both the fundamental frequency (FF) and second-harmonic (SH) fields in two-dimensional nonlinear photonic crystals have been found through both the physical analysis and exact numerical simulation. By combining such a property with the phase-matching condition and strong second-order susceptibility, we have designed a SH lens to realize focusing for both the FF and SH fields at the same time. Good-quality non-near field images for both FF and SH fields have been observed. The physical mechanism for such SH focusing phenomena has been disclosed, which is different from the backward SH generation as has been pointed out in the previous investigations. In addition, the effect of absorption losses on the phenomena has also been discussed. Thus, potential applications of these phenomena to biphotonic microscopy technique are anticipated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Chiral phases of fundamental and adjoint quarks

We consider a QCD chiral symmetry breaking model where the gap equation contains an effective confining propagator and a dressed gluon propagator with a dynamically generated mass. This model is able to explain the ratios between the chiral transition and deconfinement temperatures in the case of fundamental and adjoint quarks. It also predicts the recovery of the chiral symmetry for a large number of quarks (n{sub f} ≈ 11 – 13) in agreement with lattice data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Fundamental approaches for analysis thermal hydraulic parameter for Puspati Research Reactor

The 1-MW PUSPATI Research Reactor (RTP) is the one and only nuclear pool type research reactor developed by General Atomic (GA) in Malaysia. It was installed at Malaysian Nuclear Agency and has reached the first criticality on 8 June 1982. Based on the initial core which comprised of 80 standard TRIGA fuel elements, the very fundamental thermal hydraulic model was investigated during steady state operation using the PARET-code. The main objective of this paper is to determine the variation of temperature profiles and Departure of Nucleate Boiling Ratio (DNBR) of RTP at full power operation. The second objective is to confirm that the values obtained from PARET-code are in agreement with Safety Analysis Report (SAR) for RTP. The code was employed for the hot and average channels in the core in order to calculate of fuel’s center and surface, cladding, coolant temperatures as well as DNBR’s values. In this study, it was found that the results obtained from the PARET-code showed that the thermal hydraulic parameters related to safety for initial core which was cooled by natural convection was in agreement with the designed values and safety limit in SAR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

A method for suppression of spurious fundamental-harmonic waves in gyrotrons operating at the second cyclotron harmonic

A typical problem of gyrotrons operating at high harmonics of the electron cyclotron frequency is the suppression of parasitic near-cutoff waves excited at lower harmonics. In this paper, a method for a significant improvement of the selectivity of the second-harmonic gyrotrons is proposed. This method is based on the use of quasi-regular cavities with short irregularities, which provide different effects on the process of excitation of the operating second-harmonic wave and the spurious fundamental-harmonic wave by the electron beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Fundamental limitations in the purifications of tensor networks

We show a fundamental limitation in the description of quantum many-body mixed states with tensor networks in purification form. Namely, we show that there exist mixed states which can be represented as a translationally invariant (TI) matrix product density operator valid for all system sizes, but for which there does not exist a TI purification valid for all system sizes. The proof is based on an undecidable problem and on the uniqueness of canonical forms of matrix product states. The result also holds for classical states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The relative entropy is fundamental to adaptive resolution simulations

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy with respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗