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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A bound on the superconducting transition temperature

It is notoriously difficult to make quantitative theoretical predictions of the superconducting transition temperature, T c , either from first-principles or even from a knowledge of normal state properties. Ultimately, this reflects the fact that the energy scales involved in the superconducting state are extremely small in natural units, and that T c depends exponentially on a subtle interplay between different interactions so that small uncertainties in microscopic processes can lead to order one effects on T c . However, in some circumstances, it may be possible to determine (approximate) bounds on T c . Here we propose such a bound for the conventional phonon-mediated mechanism of pairing with strongly retarded interactions, i.e. in the case in which ℏ$\bar{ω}$«EF, where $\bar{ω}$ is an appropriate characteristic phonon frequency and EF is the Fermi energy. Specifically, drawing on both empirical results (shown in Fig. 2 below) and recent results of determinant quantum Monte Carlo (DQMC) studies of the paradigmatic Holstein model, we propose that k B T c ≤A max ℏ$\bar{ω}$, where A max is a dimensionless number of order one that we estimate to be A max ≈ 1/10.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A comprehensive thermodynamic model for high salinity produced waters

Abstract Reuse of produced waters in oil and gas production is a major concern due to high treatment cost and regulations on disposal in the environment. To support development of separation techniques and process innovations, we report a comprehensive thermodynamic model for the aqueous hexary system of Na + , K + , Mg 2+ , Ca 2+ , Cl − , and SO 4 2− , the major ionic species present in high salinity produced waters. Based on the electrolyte NRTL theory, the model accurately calculates thermodynamic and phase equilibrium properties with two binary interaction parameters per water‐electrolyte pair and electrolyte‐electrolyte pair sharing a common ion. This article presents the methodology to identify the binary interaction parameters from literature data and the model results for wide varieties of thermodynamic and phase equilibrium properties including salt solubility for selected binary, ternary, quaternary, and quinary subsystems. The model is validated with the electrolyte concentrations up to salt saturation and temperatures from 273 to 473 K.

Tanveer, Sheik↗
DOE OSTI2025

Localizing individual exciton on a quantum Hall antidot

Excitons are bond states of electron-hole pairs formed through Coulomb interaction. While excitonic phases have been widely studied in semiconductors and quantum Hall double-layers, prior works largely focus on bulk systems with large number of excitons, limiting their applications in quantum devices. Here, employing the approach of quantum Hall antidot with two spatially separated edge channels, we demonstrate a type of quantum Hall quasiparticle exciton which represents a quantum-coherent bound state of an electron and a hole situated on their corresponding edges coupled through intralayer tunneling and Coulomb interaction. This approach allows localization and electrical tuning of individual quantum Hall excitons. Quantum-coherent dynamics of exciton are observed in the gate-dependence of antidot conductance peaks near the electron-hole resonance, which signifies a quantum superposition of vacuum- and electron-hole pairing states. Modeling the electron-hole pair as a coupled two-level system, semi-quantitative understanding of experimental observations is achieved. This work opens avenues for creating quantum systems of multiple quantum Hall quasiparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Disentangling Acid‐Base Chemistry through Blue Shifting Hydrogen Bond Contributions

The blue shifting of vibrational frequencies in hydrogen bonded molecules, as observed in aqueous environments, has been attributed to local partial charge transfer from solvation. Here, in this study, we extrapolate the blue shift model to the stronger ionic interactions between hydrogen bond acceptors associated with protonation through augmented pH levels and competitive interactions with counter ion pairing. The chemical model we utilize in this work is the aqueous pyridine‐pyridinium equilibrium to characterize the blue shifts observed in the pyridinium chloride ionic system. The observed agreement between observed experimental and calculated spectral shifts shows that the blue shifting model can be extrapolated to stronger interactions and accurately describe the nature of the hydrogen bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

LLE-Annual report input

In FY18, an LLNL/GA/Michigan University team carried out the project “Exploring pair plasmas and their applications” with 2 LBS shot days on OMEGA EP. The campaign used an EP short pulse beam to produce jets of electron-positron antimatter pairs while the 2nd short pulse beam was used to producing protons to diagnose the laser-target interactions. The experiments focused on 1) inhensing the pair yield using nano-structure targets and 2) collimating/focusing positron jets through curved sheath potential from shaped target surface. The experiments successfully demonstrated both the yield enhensement and the positron focusing. The data provided basis futrue experiments on labortary astrophysics using the pair jet – plasma interaction to drive beam instabilities. A total of 14 shots were performed in the fiscal year. The EP short pulse beams (~1 kJ in 10 ps) irradiated targets of 1 mm thick Au targets, with and without the nano-structure on the laser interaction surface. It was found that for the same laser energy, positron yields and acceleration both were increased dramatically by using nano-structure. This finding is important to the future experiments and applications using laser pair jets. Previous experiments used gold targets almost exclusively. It was also found that a hemispherical shaped backsurface can focuing the positron jets through the sheath field – like that observed in proton focusing. This observation is important as it demonstrated that higher pair density can be achieved by reducing their volume, which may enable the development of instablities predicted by theory. The prior experiments showed that quasi-monoenergetic relativistic positron jets are formed during high-intensity irradiation of thick gold targets, and that these jets can be strongly collimated using the magnetized-inertial fusion electrical delivery system (MIFEDS). The external field produces a 40-fold increase in the peak positron and electron signal [4]. The positron yield was found to scale as the square of the laser energy. The FY15 results revealed another dimension of scaling on the target materials. The favorable scaling would enable the laboratory study of relativistic pair plasmas that are important to understanding some of the most exotic and energetic systems in the universe.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Search for flavour-changing neutral current interactions of the top quark and the Higgs boson in events with a pair of $τ$-leptons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for flavour-changing neutral current (FCNC) $tqH$ interactions involving a top quark, another up-type quark ($q = u, c$), and a Standard Model (SM) Higgs boson decaying into a $τ$-lepton pair ($H$ → $τ$ + $τ$ - ) is presented. The search is based on a dataset of pp collisions at $\sqrt{s}$ = 13 TeV that corresponds to an integrated luminosity of 139 fb -1 recorded with the ATLAS detector at the Large Hadron Collider. Two processes are considered: single top quark FCNC production in association with a Higgs boson ($pp$ → $tH$), and top quark pair production in which one of top quarks decays into $Wb$ and the other decays into $qH$ through the FCNC interactions. The search selects events with two hadronically decaying $τ$-lepton candidates ($τ$ had ) or at least one $τ$ had with an additional lepton ($e, µ$), as well as multiple jets. Event kinematics is used to separate signal from the background through a multivariate discriminant. A slight excess of data is observed with a significance of 2.3$σ$ above the expected SM background, and 95% CL upper limits on the $t → qH$ branching ratios are derived. The observed (expected) 95% CL upper limits set on the $t → cH$ and $t → uH$ branching ratios are 9.4 × 10 -4 (${4.8}^{+2.2}_{-1.4}$ × 10 -4 ) and 6.9 × 10 -4 (${3.5}^{+1.5}_{-1.0}$ × 10 -4 ), respectively. The corresponding combined observed (expected) upper limits on the dimension-6 operator Wilson coefficients in the effective $tqH$ couplings are $C$ $c$φ < 1.35 (0.97) and $C$ $u$φ < 1.16 (0.82).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

Indications for common origin and gravitational interaction in three binary LMC clusters

Three close pair clusters of the LMC, NGC 2006/SL 538, NGC 2011 a/b, and NGC 2042 a/b, have been studied in order to establish their binarity. The stellar content in the outer region of each cluster has been investigated by means of low resolution objective UK Schmidt prism spectra, the cores of the clusters have been examined using low resolution integrated IUE spectra, whereas their density profiles and their observed dynamical parameters have been derived by means of star counts. The integrated spectra of their cores and the stellar content of their outer cluster regions have shown a common origin and a very young age (less than 2 x 10 exp 7 yr) for each member of the pairs, whereas their dynamical study has shown that they are gravitationally interacting. Comparing the age of their stellar content with their dynamical and relaxation times, it has been found that these clusters are physically associated and had no time to relax by stellar encounters, no time to merge, and no time to be destroyed by dynamical friction.

Kontizas, E.↗
DOE OSTI2019

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, and DNA-Binding Studies of (E)-2-(3-Hydroxy-4-Methoxybenzylidene)Hydrazinecarbothioamide

(E)-2-(3-Hydroxy-4-methoxybenzylidene)hydrazinecarbothioamide 3 was synthesized by reacting thiosemicarbazide with 2-hydorxy-3-methoxybenzaldehyde in dry ethanol. The structure was elucidated by spectroscopic (FT-IR, {sup 1}H NMR, and {sup 13}C NMR) and single crystal X-ray diffraction techniques. A detailed analysis of the intermolecular interactions has been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. DFT, spectroscopic, and electrochemical DNA-binding analysis confirmed that the compound is reactive to bind with DNA. Viscometric studies suggested that compound 3 has a mixed mode of interaction and intercalated into the DNA base pairs predominantly along with the possibility of electrostatic interactions. .

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Global limits and interference patterns in dark matter direct detection

We compare the general effective theory of one-body dark matter nucleon interactions to current direct detection experiments in a global multidimensional statistical analysis. We derive exclusion limits on the 28 isoscalar and isovector coupling constants of the theory, and show that current data place interesting constraints on dark matter-nucleon interaction operators usually neglected in this context. We characterize the interference patterns that can arise in dark matter direct detection from pairs of dark matter-nucleon interaction operators, or from isoscalar and isovector components of the same operator. We find that commonly neglected destructive interference effects weaken standard direct detection exclusion limits by up to one order of magnitude in the coupling constants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Particle Acceleration in Collisionless Magnetically Arrested Disks

We present the first collisionless realization of two-dimensional axisymmetric black hole accretion consistent with a persistent magnetically arrested disk state. The accretion flow, consisting of an ion-electron disk plasma combined with magnetospheric pair creation effects, is simulated using first-principles general-relativistic particle-in-cell methods. The simulation is evolved over significant dynamical timescales during which a quasisteady accretion state is reached with several magnetic flux eruption cycles. We include a realistic treatment of inverse Compton scattering and pair production, which allows for studying the interaction between the collisionless accretion flow and pair-loaded jet. Our findings indicate that magnetic flux eruptions associated with equatorial magnetic reconnection within the black hole magnetosphere and the formation of spark gaps are locations of maximal particle acceleration. Flux eruptions, starting near the central black hole, can trigger Kelvin-Helmholtz-like vortices at the jet-disk interface that facilitate efficient mixing between disk and jet plasma in this region. Transient periods of increased pair production following magnetic flux eruptions and reconnection events are responsible for most of the highly accelerated particles.

Accretion disk & black-hole plasma↗
NASA NTRS2013

Support Routines for In Situ Image Processing

This software consists of a set of application programs that support ground-based image processing for in situ missions. These programs represent a collection of utility routines that perform miscellaneous functions in the context of the ground data system. Each one fulfills some specific need as determined via operational experience. The most unique aspect to these programs is that they are integrated into the large, in situ image processing system via the PIG (Planetary Image Geometry) library. They work directly with space in situ data, understanding the appropriate image meta-data fields and updating them properly. The programs themselves are completely multimission; all mission dependencies are handled by PIG. This suite of programs consists of: (1)marscahv: Generates a linearized, epi-polar aligned image given a stereo pair of images. These images are optimized for 1-D stereo correlations, (2) marscheckcm: Compares the camera model in an image label with one derived via kinematics modeling on the ground, (3) marschkovl: Checks the overlaps between a list of images in order to determine which might be stereo pairs. This is useful for non-traditional stereo images like long-baseline or those from an articulating arm camera, (4) marscoordtrans: Translates mosaic coordinates from one form into another, (5) marsdispcompare: Checks a Left Right stereo disparity image against a Right Left disparity image to ensure they are consistent with each other, (6) marsdispwarp: Takes one image of a stereo pair and warps it through a disparity map to create a synthetic opposite- eye image. For example, a right eye image could be transformed to look like it was taken from the left eye via this program, (7) marsfidfinder: Finds fiducial markers in an image by projecting their approximate location and then using correlation to locate the markers to subpixel accuracy. These fiducial markets are small targets attached to the spacecraft surface. This helps verify, or improve, the pointing of in situ cameras, (8) marsinvrange: Inverse of marsrange . given a range file, re-computes an XYZ file that closely matches the original. . marsproj: Projects an XYZ coordinate through the camera model, and reports the line/sample coordinates of the point in the image, (9) marsprojfid: Given the output of marsfidfinder, projects the XYZ locations and compares them to the found locations, creating a report showing the fiducial errors in each image. marsrad: Radiometrically corrects an image, (10) marsrelabel: Updates coordinate system or camera model labels in an image, (11) marstiexyz: Given a stereo pair, allows the user to interactively pick a point in each image and reports the XYZ value corresponding to that pair of locations. marsunmosaic: Extracts a single frame from a mosaic, which will be created such that it could have been an input to the original mosaic. Useful for creating simulated input frames using different camera models than the original mosaic used, and (12) merinverter: Uses an inverse lookup table to convert 8-bit telemetered data to its 12-bit original form. Can be used in other missions despite the name.

Deen, Robert G.↗
DOE OSTI2016

Electronic structure and pair potential energy analysis of 4-n-methoxy-4′-cyanobiphenyl: A nematic liquid crystal

Electronic structure properties of 4-n-methoxy-4′-cyanobiphenyl, a pure nematic liquid crystal have been examined using an ab‒initio, HF/6‒31G(d,p) technique with GAMESS program. Conformational and charge distribution analysis have been carried out. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the liquid crystal molecule have been calculated. Further, stacking, side by side and end to end interactions between a molecular pair have been evaluated. Results have been used to elucidate the physico-chemical and liquid crystalline properties of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Successive Two-sided Loop Jets Caused by Magnetic Reconnection between Two Adjacent Filamentary Threads

We present observational analysis of two successive two-sided loop jets observed by the ground-based New Vacuum Solar Telescope and the space-borne Solar Dynamics Observatory . The two successive two-sided loop jets manifested similar evolution processes and both were associated with the interaction of two small-scale adjacent filamentary threads, magnetic emerging, and cancellation processes at the jet’s source region. High temporal and high spatial resolution observations reveal that the two adjacent ends of the two filamentary threads are rooted in opposite magnetic polarities within the source region. The two threads approached each other, and then an obvious brightening patch is observed at the interaction position. Subsequently, a pair of hot plasma ejections are observed heading in opposite directions along the paths of the two filamentary threads at a typical speed for two-sided loop jets of the order 150 km s{sup −1}. Close to the end of the second jet, we report the formation of a bright hot loop structure at the source region, which suggests the formation of new loops during the interaction. Based on the observational results, we propose that the observed two-sided loop jets are caused by magnetic reconnection between the two adjacent filamentary threads, largely different from the previous scenario that a two-sided loop jet is generated by magnetic reconnection between an emerging bipole and the overlying horizontal magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1988

Luminous extranuclear star formation in the interacting galaxy Arp 118 - NGC 1143/44

The interacting system Arp 118 (NGC 1143/44) has been observed at infrared and radio wavelengths. The interaction has produced a pair of distorted loops and several luminous radio and infrared sources in NGC 1144 which emit a total power of 2.5 x 10 to the 11th lunar masses, 80 percent of which is reradiated in the thermal infrared. Remarkably, the present observations reveal that much of the midinfrared emission originates in an extra-nuclear star-forming region. Arp 118 has many of the same characteristics as the well-studied interacting system Arp 299 (NGC 3690), including luminous extranuclear activity; the main difference between the two systems is that the nuclei of NGC 1143/44 are much less luminous at 10 microns than their counterparts in NGC 3690.

Joy, Marshall↗
DOE OSTI2026

Effects of the next-nearest-neighbor hopping on the low-dimensional Hubbard model: ferromagnetism, antiferromagnetism, and superconductivity

The Hubbard model has attracted considerable interest due to its prototypical role in describing strongly interacting electronic systems, such as high-critical-temperature superconductors as well as many novel quantum materials. By introducing next-nearest-neighbor (NNN) hoppings to the Hubbard model, the phase diagram becomes richer, and fascinating phenomena arise in both, one-dimensional chains and square lattices, such as: antiferromagnetism, ferromagnetism, superconductivity (SC), as well as charge orders, among others. Moreover, NNN hoppings play a fundamental role in understanding effects of doping on magnetism and pairing orders in strongly interacting regimes. In this article, we review the recent progress in understanding the different competing phases of this model in one and two dimensions from a computational perspective. In conclusion, we comment on the pressing technical challenges, illustrate the controversial results concerning the emergence of the SC phase, and conclude with our perspectives on future explorations.

Hubbard model↗
DOE OSTI2021

Intertwined charge, spin, and pairing orders in doped iron ladders

Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe2S3. The model is constructed by using ab initio hopping parameters and the ground state properties are investigated using the density matrix renormalization group method. We show that the (π,0) magnetic ordering at half filling, with ferromagnetic rungs and antiferromagnetic legs, becomes incommensurate upon hole doping. Moreover, depending on the strength of the Hubbard U coupling, other magnetic patterns, such as (0,π), are also stabilized. We found that the binding energy for two holes becomes negative for intermediate Hubbard interaction strength, indicating hole pairing. Due to the crystal-field split among orbitals, the holes primarily reside in one orbital, with the other one remaining half filled. This resembles orbital selective Mott states. The formation of tight hole pairs continues with increasing hole density, as long as the magnetic order remains antiferromagnetic in one direction. The study of pair-pair correlations indicates the dominance of the intraorbital spin-singlet channel, as opposed to other pairing channels. Although in a range of hole doping pairing correlations decay slowly, our results can also be interpreted as corresponding to a charge density wave made of pairs, a precursor of eventual superconductivity after interladder couplings are included. Such a scenario of intertwined orders has been extensively discussed before in the cuprates, and our results suggest a similar physics could exist in ladder iron-based superconductors. Finally, we also show that a robust Hund's coupling is needed for pairing to occur.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Direct quarkonium production in DIS from a joint CGC and NRQCD framework

We compute the differential cross section for direct quarkonium production in high-energy electron-nucleus collisions at small 𝑥. Our computation is performed within the nonrelativistic QCD factorization formalism that separates the calculation into short distance coefficients and long distance matrix elements that depend on the color and spin of the state. We obtain the short distance coefficients of the production of the heavy quark pair within the framework of the color glass condensate effective field theory, which resums coherent multiple interactions of the heavy quark pair with the nucleus to all orders. Our results are expressed as the convolution of perturbatively calculable functions with multipoint lightlike Wilson line correlators. In the correlation limit, we establish the correspondence between our color glass condensate formulation with calculations employing the transverse momentum dependent (TMD) framework. We extend this correspondence by resumming kinematic power corrections within the improved TMD framework, which interpolates between the TMD formalism and 𝑘 ⊥ -factorization formalism. We present a detailed numerical analysis, focusing on 𝐽/𝜓 production in the kinematics accessible at the future Electron-Ion Collider, highlighting the importance of genuine higher-order saturation contributions when the electron collides with a large nucleus. Our results are also valid in the photoproduction limit where we expect the largest contribution from genuine higher-order saturation contributions which could be accessed in ultraperipheral collisions of relativistic heavy ions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Massive Early-type Galaxies in the HSC-SSP: Flux Fraction of Tidal Features and Merger Rates

Here we present a statistical study on tidal features around massive early-type galaxies (ETGs). Utilizing the imaging data of the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP), we measure the flux fraction of tidal features (f tidal ) in 2649 ETGs with stellar mass M * > 10 11 M ⊙ and redshift 0.05 < z < 0.15 using automated techniques. The Wide layer of HSC-SSP reaches a depth of ~28.5 mag arcsec –2 in the i band. Under this surface brightness limit, we find that about 28% of these galaxies harbor prominent tidal features with f tidal > 1%, among which the number of ETGs decreases exponentially with f tidal , with a logarithmic slope of ~100. Within the stellar mass range we probe, we note that f tidal increases by a factor of 2 from M * ≈ 10 11 to 10 12 M ⊙ . We also perform a pair count to estimate the merger rate of these massive ETGs. Combining the merger rates with f tidal , we estimate that the typical lifetime of tidal features is ~3 Gyr, consistent with previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗