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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

A numerical method for acoustic oscillations in tubes

A numerical method to obtain the neutral curve for the onset of acoustic oscillations in a helium-filled tube is described. Such oscillations can cause a serious heat loss in the plumbing associated with liquid helium dewars. The problem is modelled by a second-order, ordinary differential eigenvalue problem for the pressure perturbation. The numerical method to find the eigenvalues and track the resulting points along the neutral curve is tailored to this problem. The results show that a tube with a uniform temperature gradient along it is much more stable than one where the temperature suddenly jumps from the cold to the hot value in the middle of the tube.

Gary, John M.↗
DOE OSTI2016

Towards accurate cosmological predictions for rapidly oscillating scalar fields as dark matter

As we are entering the era of precision cosmology, it is necessary to count on accurate cosmological predictions from any proposed model of dark matter. In this paper we present a novel approach to the cosmological evolution of scalar fields that eases their analytic and numerical analysis at the background and at the linear order of perturbations. The new method makes use of appropriate angular variables that simplify the writing of the equations of motion, and which also show that the usual field variables play a secondary role in the cosmological dynamics. We apply the method to a scalar field endowed with a quadratic potential and revisit its properties as dark matter. Some of the results known in the literature are recovered, and a better understanding of the physical properties of the model is provided. It is confirmed that there exists a Jeans wavenumber k {sub J} , directly related to the suppression of linear perturbations at wavenumbers k > k {sub J} , and which is verified to be k {sub J} = a √ mH . We also discuss some semi-analytical results that are well satisfied by the full numerical solutions obtained from an amended version of the CMB code CLASS. Finally we draw some of the implications that this new treatment of the equations of motion may have in the prediction of cosmological observables from scalar field dark matter models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Tidal response of preliminary Jupiter model

In anticipation of improved observational data for Jupiter’s gravitational field, from the Juno spacecraft, we predict the static tidal response for a variety of Jupiter interior models based on ab initio computer simulations of hydrogen–helium mixtures. We calculate hydrostatic-equilibrium gravity terms, using the non-perturbative concentric Maclaurin Spheroid method that eliminates lengthy expansions used in the theory of figures. Our method captures terms arising from the coupled tidal and rotational perturbations, which we find to be important for a rapidly rotating planet like Jupiter. Our predicted static tidal Love number, k{sub 2}=0.5900, is ∼10% larger than previous estimates. The value is, as expected, highly correlated with the zonal harmonic coefficient J {sub 2}, and is thus nearly constant when plausible changes are made to the interior structure while holding J {sub 2} fixed at the observed value. We note that the predicted static k {sub 2} might change, due to Jupiter’s dynamical response to the Galilean moons, and find reasons to argue that the change may be detectable—although we do not present here a theory of dynamical tides for highly oblate Jovian planets. An accurate model of Jupiter’s tidal response will be essential for interpreting Juno observations and identifying tidal signals from effects of other interior dynamics of Jupiter’s gravitational field.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

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.↗
DOE OSTI2017

Sensitivity Coefficients for Diffusion Coefficients and Other Reactor Physics Parameters using CE TSUNAMI-3D

The TSUNAMI (Tools for Sensitivity and Uncertainty Analysis Methodology Implementation) capabilities within the SCALE code system leverage sensitivity coefficients for many criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, quantifying computational biases, and selecting applicable benchmark experiments. TSUNAMI sensitivity and uncertainty analysis tools have traditionally been limited to criticality safety application spaces, but the introduction of Generalized Perturbation Theory (GPT) sensitivity methods by Jessee in 2009 and Perfetti in 2013 has extended the scope of SCALE adjoint-weighted sensitivity and uncertainty analysis to include reactor physics applications. The continuous-energy (CE) TSUNAMI-3D GPT sensitivity analysis methods were originally developed to calculate sensitivity coefficients for a limited number of reaction-rate responses using CE Monte Carlo methods. These tools were recently applied in an Oak Ridge National Laboratory (ORNL)-directed research and development project to improve the efficiency of {sup 252}Cf production in the High Flux Isotope Reactor (HFIR) by understanding the sensitivity of key heavy actinide capture-to- fission ratios to potential system design changes. This work further extends the applicability of the CE TSUNAMI- 3D GPT methods to reactor physics applications by enabling the calculation of sensitivity coefficients for an expanded set of reaction rate responses-including a first-ever capability for conducting sensitivity analysis of neutron diffusion coefficients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1994

Nonlinear dynamics of drops and bubbles and chaotic phenomena

Nonlinear phenomena associated with the dynamics of free drops and bubbles are investigated analytically, numerically and experimentally. Although newly developed levitation and measurement techniques have been implemented, the full experimental validation of theoretical predictions has been hindered by interfering artifacts associated with levitation in the Earth gravitational field. The low gravity environment of orbital space flight has been shown to provide a more quiescent environment which can be utilized to better match the idealized theoretical conditions. The research effort described in this paper is a closely coupled collaboration between predictive and guiding theoretical activities and a unique experimental program involving the ultrasonic and electrostatic levitation of single droplets and bubbles. The goal is to develop and to validate methods based on nonlinear dynamics for the understanding of the large amplitude oscillatory response of single drops and bubbles to both isotropic and asymmetric pressure stimuli. The first specific area on interest has been the resonant coupling between volume and shape oscillatory modes isolated gas or vapor bubbles in a liquid host. The result of multiple time-scale asymptotic treatment, combined with domain perturbation and bifurcation methods, has been the prediction of resonant and near-resonant coupling between volume and shape modes leading to stable as well as chaotic oscillations. Experimental investigations of the large amplitude shape oscillation modes of centimeter-size single bubbles trapped in water at 1 G and under reduced hydrostatic pressure, have suggested the possibility of a low gravity experiment to study the direct coupling between these low frequency shape modes and the volume pulsation, sound-radiating mode. The second subject of interest has involved numerical modeling, using the boundary integral method, of the large amplitude shape oscillations of charged and uncharged drops in the presence of a static or time-varying electric field. Theoretically predicted non linearity in the resonant frequency of the fundamental quadrupole mode has been verified by the accompanying experimental studies. Additional phenomena such as hysteresis in the frequency response of ultrasoncially levitated droplets in the presence of a time varying electric field, and mode coupling in the oscillations of ultrasonically modulated droplets, have also been uncovered. One of the results of this ground-based research has been the identification and characterization of phenomena strictly associated with the influence of the gravitational field. This has also allowed us to identify the specific requirements for potential microgravity investigations yielding new information not obtainable on Earth.

Trinh, Eugene H.↗
NASA NTRS1972

Methods of determining electron concentrations in the magnetosphere from nose whistlers

Whistler propagation in the magnetosphere was studied in detail to find accurate and economical means of determining the path latitude and the electron concentration along the path from whistler parameters of nose frequency and travel time at the nose. Longitudinal propagation in field aligned whistler ducts of cold plasma was assumed, and the earth's magnetic field was approximated by a centered dipole. The effects of whistler propagation in the earth-ionosphere waveguide and through the conjugate ionospheres were treated as small perturbations. Several alternative methods are described so that the most economical method may be chosen depending on the desired accuracy and the availability of a computer or a calculator.

Park, C. G.↗
DOE OSTI2014

Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules

Modeling actinides with electronic structure theories is challenging because these systems present a strong ligand field and metal–ligand covalency. Here, we systematically investigate the effectiveness of pair-density functional theory (PDFT) for the calculation of vertical excitation energies in An(III), [An III Cl 6 ] 3– , and [An VI O 2 ] 2+ (An = U, Np, Pu, and Am). We compare the performance of PDFT, hybrid PDFT, and multistate PDFT with traditional active-space methods followed by perturbation theory, like multistate CASPT2, and with experimental data. Overall, multistate PDFT gives quantitative agreement with multistate CASPT2 at a significantly reduced computational cost.

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

Formation energy of oxygen vacancies in ZnO determined by investigating thermal behavior of Al and In impurities

Thermal behavior and interacting nature of 100-ppm Al and ∼100-ppt In impurities doped in zinc oxide (ZnO) were investigated by means of the time-differential perturbed angular correlation method with the {sup 111}In(→{sup 111}Cd) probe. Contrasting interactions between Al and In impurities were observed depending on different atmospheric conditions: (1) in air, Al and In impurities irreversibly associate with each other in the process of their thermal diffusion, but (2) in vacuum, their bound state formed in air dissociates by heat treatment at temperatures higher than 873 K, and this process is enhanced with increasing temperature. Detailed investigation of the thermal behavior of the impurities has revealed that the dissociation reaction is triggered by the formation of oxygen vacancies in the vicinity of the locally associated In-Al structure. A unique method to determine the activation energy of the oxygen-vacancy formation is presented with the estimated experimental value of E{sub a} = 0.72(6) eV.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quarkonium transport in weakly and strongly coupled plasmas

We report on progress in the nonperturbative understanding of quarkonium dynamics inside a thermal plasma. The time evolution of small-size quarkonium is governed by two-point correlation functions of chromoelectric fields dressed with an adjoint Wilson line, known in this context as generalized gluon distributions (GGDs). The GGDs have been calculated in both weakly and strongly coupled plasmas by using perturbative and holographic methods. Strikingly, the results of our calculations for a strongly coupled plasma indicate that the quarkonium dissociation and recombination rates vanish in the transport descriptions that assume quarkonium undergoes Markovian dynamics. However, this does not imply that the dynamics is trivial. As a starting point to explore the phenomenological consequences of the result at strong coupling, we show a calculation of the Y(1 S ) formation probability in time-dependent perturbation theory. This is a first step towards the development of a transport formalism that includes non-Markovian effects, which, depending on how close the as of yet undetermined nonperturbative QCD result of the GGDs is to the strongly coupled N = 4 SYM result, could very well dominate over the Markovian ones in quark-gluon plasma produced at RHIC and the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Considering nonlocality in the optical potentials within eikonal models

Background: For its simplicity, the eikonal method is the tool of choice to analyze nuclear reactions at high energies (E > 100 MeV/nucleon), including knockout reactions. However, so far, the effective interactions used in this method are assumed to be fully local. Purpose: Given the recent studies on nonlocal optical potentials, in this work we assess whether nonlocality in the optical potentials is expected to impact reactions at high energies and then explore different avenues for extending the eikonal method to include nonlocal interactions. Method: We compare angular distributions obtained for nonlocal interactions (using the exact R-matrix approach for elastic scattering and the adiabatic distorted wave approximation for transfer) with those obtained using their local-equivalent interactions. Results: Our results show that transfer observables are significantly impacted by nonlocality in the high-energy regime. Because knockout reactions are dominated by stripping (transfer to inelastic channels), nonlocality is expected to have a large effect on knockout observables too. Three approaches are explored for extending the eikonal method to nonlocal interactions, including an iterative method and a perturbation theory. Conclusions: None of the derived extensions of the eikonal model provide a good description of elastic scattering. Here, this paper suggests that nonlocality removes the formal simplicity associated with the eikonal model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Machine-assisted discovery of integrable symplectic mappings

Integrable systems possess a hidden symmetry associated with the existence of conserved quantities known as integrals of motion. These systems play an important role in understanding general dynamics in accelerators and have potential for future designs. This work will cover two automated methods for finding integrable symplectic maps of the plane. The first algorithm is based on the observation that the evolution of an integrable system in phase space is confined to a lower-dimensional submanifold of a specific type. The second algorithm relies on an analysis of dynamical variables. Both methods rediscover some of the famous McMillan-Suris integrable mappings and ultra-discrete Painlev\'e equations. Over 100 new integrable families are presented and analyzed, some of which are isolated in the space of parameters, while others are families with one parameter (or the ratio of parameters) being either continuous or discrete. In addition, the newly discovered maps are related to a general 2D symplectic map through the use of discrete perturbation theory. A method is proposed for constructing smooth near-integrable dynamical systems based on mappings with polygon invariants.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Machine-Assisted Discovery of Integrable Symplectic Mappings

Integrable systems possess a hidden symmetry associated with the existence of conserved quantities known as integrals of motion. These systems play an important role in understanding general dynamics in accelerators and have potential for future designs. This work will cover two automated methods for finding integrable symplectic maps of the plane. The first algorithm is based on the observation that the evolution of an integrable system in phase space is confined to a lower-dimensional submanifold of a specific type. The second algorithm relies on an analysis of dynamical variables. Both methods rediscover some of the famous McMillan-Suris integrable mappings and ultra-discrete Painlev\'e equations. Over 100 new integrable families are presented and analyzed, some of which are isolated in the space of parameters, while others are families with one parameter (or the ratio of parameters) being either continuous or discrete. In addition, the newly discovered maps are related to a general 2D symplectic map through the use of discrete perturbation theory. A method is proposed for constructing smooth near-integrable dynamical systems based on mappings with polygon invariants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

A new data processing technique for Rayleigh-Taylor instability growth experiments

Typical face-on experiments for Rayleigh-Taylor instability study involve the time-resolved radiography of an accelerated foil with line-of-sight of the radiography along the direction of motion. The usual method which derives perturbation amplitudes from the face-on images reverses the actual image transmission procedure, so the obtained results will have a large error in the case of large optical depth. In order to improve the accuracy of data processing, a new data processing technique has been developed to process the face-on images. This technique based on convolution theorem, refined solutions of optical depth can be achieved by solving equations. Furthermore, we discuss both techniques for image processing, including the influence of modulation transfer function of imaging system and the backlighter spatial profile. Besides, we use the two methods to the process the experimental results in Shenguang-II laser facility and the comparison shows that the new method effectively improve the accuracy of data processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Non-perturbative methodologies for low-dimensional strongly-correlated systems: From non-Abelian bosonization to truncated spectrum methods

We review two important non-perturbative approaches for extracting the physics of low-dimensional strongly correlated quantum systems. Firstly, we start by providing a comprehensive review of non-Abelian bosonization. This includes an introduction to the basic elements of conformal field theory as applied to systems with a current algebra, and we orient the reader by presenting a number of applications of non-Abelian bosonization to models with large symmetries. We then tie this technique into recent advances in the ability of cold atomic systems to realize complex symme-tries. Secondly, we discuss truncated spectrum methods for the numerical study of systems in one and two dimensions. For one-dimensional systems we provide the reader with considerable insight into the methodology by reviewing canonical applications of the technique to the Ising model (and its variants) and the sine-Gordon model. Following this we review recent work on the development of renormalization groups, both numerical and analytical, that alleviate the effects of truncating the spectrum. Using these technologies, we consider a number of applications to one-dimensional systems: properties of carbon nanotubes, quenches in the Lieb-Liniger model, 1+1D quantum chro-modynamics, as well as Landau-Ginzburg theories. In the final part we move our attention to consider truncated spectrum methods applied to two-dimensional systems. This involves combining truncated spectrum methods with matrix product state algorithms. Lastly, we describe applications of this method to two-dimensional systems of free fermions and the quantum Ising model, including their non-equilibrium dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗