Search NASA⌕ Search

SEARCH · Search NASA

Results for “PAIRING INTERACTIONS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Global effects of interactions on galaxy evolution

Recent observations of the evolutionary properties of paired and interacting galaxies are reviewed, with special emphasis on their global emission properties and star formation rates. Data at several wavelengths provide strong confirmation of the hypothesis, proposed originally by Larson and Tinsley, that interactions trigger global bursts of star formation in galaxies. The nature and properties of the starbursts, and their overall role in galactic evolution are also discussed.

Kennicutt, Robert C., Jr.↗
DOE OSTI2018

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). In this study, we implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Lastly, various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

High-Performance Electron Sources: Numerical Methods and Beam Dynamics at the Precision Frontier

Electron sources have a wide range of applications and there are many stakeholders that express continuing need for improvements and performance enhancements. Whether we consider ultra-cold, high-brightness, high-charge or high-average current source needs, there are some common themes from the point of view of the beam dynamics involved. These are the following ones: ability to model accurately the emission processes, including the presence of often complicated cathode and other boundary surfaces with a wide range of spatial scales; ability to deal accurately and efficiently with a large number of particles interacting pair-wise, including the stochastic part of these interactions with a wide range of spatial scales; and ability to propagate the particle distributions in time, including collisions with a wide range of temporal scales. These tasks require high precision and accuracy since the goal is usually generation, transport and preservation of very high-quality beams. This grant addressed one of the rem

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

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

Effects of the plasma profiles on photon and pair production in ultrahigh intensity laser solid interaction

The model of photon and pair production in strong field quantum electrodynamics is implemented into our 1D3V particle-in-cell code with Monte Carlo algorithm. Using this code, the evolution of the particles in ultrahigh intensity laser (∼10{sup 23} W/cm{sup 2}) interaction with aluminum foil target is observed. Four different initial plasma profiles are considered in the simulations. The effects of initial plasma profiles on photon and pair production, energy spectra, and energy evolution are analyzed. The results imply that one can set an optimal initial plasma profile to obtain the desired photon distributions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions

Threats to genomic integrity arising from DNA damage are mitigated by DNA glycosylases, which initiate the base excision repair pathway by locating and excising aberrant nucleobases. How these enzymes find small modifications within the genome is a current area of intensive research. A hallmark of these and other DNA repair enzymes is their use of base flipping to sequester modified nucleotides from the DNA helix and into an active site pocket. Consequently, base flipping is generally regarded as an essential aspect of lesion recognition and a necessary precursor to base excision. In this paper, we present the first, to our knowledge, DNA glycosylase mechanism that does not require base flipping for either binding or catalysis. Using the DNA glycosylase AlkD from Bacillus cereus, we crystallographically monitored excision of an alkylpurine substrate as a function of time, and reconstructed the steps along the reaction coordinate through structures representing substrate, intermediate and product complexes. Instead of directly interacting with the damaged nucleobase, AlkD recognizes aberrant base pairs through interactions with the phosphoribose backbone, while the lesion remains stacked in the DNA duplex. Quantum mechanical calculations revealed that these contacts include catalytic charge–dipole and CH–π interactions that preferentially stabilize the transition state. We show in vitro and in vivo how this unique means of recognition and catalysis enables AlkD to repair large adducts formed by yatakemycin, a member of the duocarmycin family of antimicrobial natural products exploited in bacterial warfare and chemotherapeutic trials. Bulky adducts of this or any type are not excised by DNA glycosylases that use a traditional base-flipping mechanism. Finally and hence, these findings represent a new model for DNA repair and provide insights into catalysis of base excision.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Description for N = 126 Isotones 210 Po and 212 Rn with Particle-Hole Excited Nucleon-Pair Approximation and Realistic Effective Interaction

In this paper, we study yrast states of two N=126 isotones 210 Po and 212 Rn using the nucleon-pair approximation with particle–hole excitations and using a low-momentum interaction V low–k renormalized from the free CD-Bonn NN potential. An overall good agreement with experimental level structures, B(E2)s, and B(E3)s, is achieved. We also calculate the probabilities of neutron particle–hole excitations in these yrast states, with a focus on negative-parity states, which reflect the roles played by the neutron negative-parity configurations of one-particle-one-hole excitations across the N=126 shell gap and the negative-parity configurations of valence proton particles involving the 0i 13/2 orbit. The N=126 shell gap is discussed in terms of energies of neutron one-particle-one-hole excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Dependence of the rate of LiF ion pairing on the description of molecular interaction

We present an analysis of the dynamics of ion-pairing of Lithium Fluoride (LiF) in aqueous solvent using both detailed molecular simulation as well as reduced models within a Gener- alized Langevin Equation (GLE) framework. We explored the sensitivity of the ion-pairing phenomena to the details of descriptions of molecular interaction, comparing two empirical potentials to explicit quantum based density functional theory. We find quantitative differences in the potentials of mean force for ion-pairing as well as time dependent frictions that lead to variations in the rate constant and reactive flux correlation functions. These details reflect differences in solvent response to ion-pairing between different representations of molecular interaction and influence anharmonicity of the dynamic response. We find that the short time anharmonic response is recovered with a GLE parameterization. Recovery of the details of long time response may require extensions to the reduced model. We show that the utility of using a reduced model leads to a straight forward application of variational transition state the- ory concepts to the condensed phase system. The significance of this is reflected in the analysis of committor distributions and the variation of planar hypersurfaces, leading to an improved understanding of factors that determine the rate of LiF ion-pairing. CJM and GKS are supported by the U.S. Department of Energy‘s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest Na- tional Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is grateful for the support of Laboratory Directed Research and Development funding under the auspices of PNNL’s Laboratory Initiative Materials Synthesis and Simulation across Scales (MS3). Additional computing resources were generously allocated by PNNL’s Institutional Computing program. EP acknowledges support from PNNL’s Alternate Sponsored Fellowship program and IMPRS Dres- den.Support to P.J. from the Czech Science Foundation (grant P208/12/G016) and the Academy of Sciences (Praemium Academie award) is gratefully acknowledged.

Pluharova, Eva↗
DOE OSTI2018

Increasing Spin-Orbital Coupling at Relativistic Exchange Interaction of Electron-Hole Pairs in Graphene

Graphene model with a high-energy k · p-Hamiltonian has been proposed. A feature of the model is the increasing spin-orbital coupling at relativistic exchange interactions of electron-hole pairs. Topological nontriviality of the model has been established by non-abelian Zak phase calculations. It has been shown that the homotopy group of the model is Z{sub 2} × Z{sub 4}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Analysis of interacting dual lifting ejector systems

An analytical treatment is presented for a flowfield generated by a pair of interacting, two-dimensional parallel jets, representative of the two exhaust streams issuing from the thrust augmentor nozzles of dual lifting jet VTOL aircraft propulsion systems. Predictions of the analysis for the ratio of primary to secondary velocity are in close agreement with experimentally observed values, if the spreading rate parameter is allowed to assume a value greater than that which applies to a free jet. Theoretical results are combined with existing experimental data for unventilated jets, in order to arrive at an estimate of the thrust augmentation produced by a jet pair with an arbitrary degree of ventilation.

Lund, T. S.↗
DOE OSTI2016

A COMPARATIVE STUDY OF KNOTS OF STAR FORMATION IN INTERACTING VERSUS SPIRAL GALAXIES

Interacting galaxies are known to have higher global rates of star formation on average than normal galaxies, relative to their stellar masses. Using UV and IR photometry combined with new and published Hα images, we have compared the star formation rates (SFRs) of ∼700 star forming complexes in 46 nearby interacting galaxy pairs with those of regions in 39 normal spiral galaxies. The interacting galaxies have proportionally more regions with high SFRs than the spirals. The most extreme regions in the interacting systems lie at the intersections of spiral/tidal structures, where gas is expected to pile up and trigger star formation. Published Hubble Space Telescope images show unusually large and luminous star clusters in the highest luminosity regions. The SFRs of the clumps correlate with measures of the dust attenuation, consistent with the idea that regions with more interstellar gas have more star formation. For the clumps with the highest SFRs, the apparent dust attenuation is consistent with the Calzetti starburst dust attenuation law. This suggests that the high luminosity regions are dominated by a central group of young stars surrounded by a shell of clumpy interstellar gas. In contrast, the lower luminosity clumps are bright in the UV relative to Hα, suggesting either a high differential attenuation between the ionized gas and the stars, or a post-starburst population bright in the UV but faded in Hα. The fraction of the global light of the galaxies in the clumps is higher on average for the interacting galaxies than for the spirals. Thus either star formation in interacting galaxies is “clumpier” on average, or the star forming regions in interacting galaxies are more luminous, dustier, or younger on average.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Interacting binary galaxies. VI - The fast encounter of NGC 2672 and NGC 2673 (Karachentsev 175, Arp 167)

The isolated pair of interacting ellipticals NGC 2672/2673 (Arp 167; Karachentsev 175), whose line-of-sight relative velocity is about 520 km/s, is studied. This very unequal mass system features two low surface brightness plumes emerging from the secondary galaxy NGC 2673. Photometric data on the pair are described, and the distortions in the galaxies and their photometric properties are discussed. Spectroscopic observations of the pair and the velocity structures derived from these are addressed. A physical solution for the pair is presented and explained.

Balcells, Marc↗
DOE OSTI2016

Study of collective flows of protons and $ \pi^{{-}}_{}$ π - -mesons in p+C, Ta and He+Li, C collisions at momenta of 4.2, 4.5 and 10 AGeV/c

Collective flows of protons and $\pi^{-}$ -mesons are studied at the momenta of 4.2, 4.5 and 10AGeV/c for p+C, Ta and He+Li, C interactions. The data were obtained from the streamer chamber (SKM-200-GIBS) and from the Propane Bubble Chamber (PBC-500) systems utilized at JINR. A method of Danielewicz and Odyniec has been employed in determining a directed transverse flow of particles. The values of the transverse flow parameter and the strength of the anisotropic emission were defined for each interacting nuclear pair. It is found that the directed flows of protons and pions decrease with increasing the energy and the mass numbers of colliding nucleus pairs. The $ \pi^{{-}}_{}$ -meson and proton flows exhibit opposite directions in all studied interactions, and the flows of protons are directed in the reaction plane. Lastly, the Ultra-relativistic Quantum Molecular Dynamical Model (UrQMD) coupled with the Statistical Multi-fragmentation Model (SMM), satisfactorily describes the obtained experimental results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Exact solution of CKP equation and formation and interaction of two solitons in pair-ion-electron plasma

In the present investigation, cylindrical Kadomstev-Petviashvili (CKP) equation is derived in pair-ion-electron plasmas to study the propagation and interaction of two solitons. Using a novel gauge transformation, two soliton solutions of CKP equation are found analytically by using Hirota's method and to the best of our knowledge have been used in plasma physics for the first time. Interestingly, it is observed that unlike the planar Kadomstev-Petviashvili (KP) equation, the CKP equation admits horseshoe-like solitary structures. Another non-trivial feature of CKP solitary solution is that the interaction parameter gets modified by the plasma parameters contrary to the one obtained for Korteweg–de Vries equation. The importance of the present investigation to understand the formation and interaction of solitons in laboratory produced pair plasmas is also highlighted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Keck/ESI long-slit spectroscopy of SBS 1421+511: A recoiling quasar nucleus in an active galaxy pair?

We present Keck/Echellette Spectrograph and Imager long-slit spectroscopy of SBS 1421+511, a system consisting of a quasar at z = 0.276 and an extended source 3″ north of the quasar. The quasar shows a blue-skewed profile of Balmer broad emission lines, which can be well modeled as emissions from a circular disk with a blueshift velocity of ∼1400 km s{sup −1}. The blueshift is better interpreted as resulting from a recoiling active black hole than from a super-massive black hole binary, since the line profile almost kept steady for over one decade in the quasar rest frame. Alternative interpretations are possible as well, such as emissions from a bipolar outflow or a circular disk with spiral emissivity perturbations. The extended source shows Seyfert-like narrow-line ratios and a [O iii] luminosity of >1.4×10{sup 8}L{sub ⊙}, with almost the same redshift as the quasar and a projected distance of 12.5 kpc at the redshift. SBS 1421+511 is thus likely to be an interacting galaxy pair with a dual active galactic nucleus. Alternatively, the quasar companion only appears to be active but not necessarily so: the gas before/in/behind the companion galaxy is illuminated by the quasar as an extended emission-line region is detected at a similar distance in the opposite direction southern to the quasar, which may be generated either by tidal interactions between the galaxy pair or large-scale outflows from the quasar.

79 ASTRONOMY AND ASTROPHYSICS↗