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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Progress toward synergistic hypermixing nozzles

Mean flow measurements have been obtained for air-to-air mixing downstream of swept and unswept ramp wall-mounted hypermixing nozzle configurations. Aside from the sweep of the ramps, the two nozzle configurations investigated are identical. The nozzles inject three parallel supersonic jets at a 15-deg angle (relative to the wind tunnel wall) into a supersonic freestream. Mach number and volume fraction distributions in a transverse plane 11.1 nozzle heights downstream from the nozzle exit plane were measured. Data are presented for a freestream Mach number of three at a matched static pressure condition and also at an underexpanded static pressure condition (pressure ratio equal to 5). Surface oil flow visualization was used to investigate the near-wall flow behavior. The results indicate that the swept ramp injectors produce stronger and larger vortex pairs than the unswept ramp injectors. The increased interaction between the swept ramp model's larger vortex pairs yields better mixing characteristics for this model.

Davis, D. O.↗
DOE OSTI2024

An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol γ

The replication accuracy of DNA polymerase gamma (Pol γ) is essential for mitochondrial genome integrity. Mutation of human Pol γ arginine-853 has been linked to neurological diseases. Although not a catalytic residue, Pol γ arginine-853 mutants are void of polymerase activity. To identify the structural basis for the disease, we determined a crystal structure of the Pol γ mutant ternary complex with correct incoming nucleotide 2'-deoxycytidine 5'-triphosphate (dCTP). Opposite to the wild type that undergoes open-to-closed conformational changes when bound to a correct nucleotide that is essential for forming a catalytically competent active site, the mutant complex failed to undergo the conformational change, and the dCTP did not base pair with its Watson-Crick complementary templating residue. Our studies revealed that arginine-853 coordinates an interaction network that aligns the 3'-end of primer and dCTP with the catalytic residues. Disruption of the network precludes the formation of Watson-Crick base pairing and closing of the active site, resulting in an inactive polymerase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Monopole–antimonopole: interaction, scattering and creation

The interaction of a magnetic monopole–antimonopole pair depends on their separation as well as on a second ‘twist’ degree of freedom. This novel interaction leads to a non-trivial bound state solution known as a sphaleron and to scattering in which the monopole–antimonopoles bounce off each other and do not annihilate. The twist degree of freedom also plays a role in numerical experiments in which gauge waves collide and create monopole–antimonopole pairs. Similar gauge wavepacket scatterings in the Abelian–Higgs model lead to the production of string loops that may be relevant to superconductors. Ongoing numerical experiments to study the production of electroweak sphalerons that result in changes in the Chern–Simons number, and hence baryon number, are also described but have not yet met with success. This article is part of a discussion meeting issue ‘Topological avatars of new physics’.

Science & Technology - Other Topics↗
DOE OSTI2023

Tunable superconductivity and its origin at KTaO3 interfaces

Abstract What causes Cooper pairs to form in unconventional superconductors is often elusive because experimental signatures that connect to a specific pairing mechanism are rare. Here, we observe distinct dependences of the superconducting transition temperature T c on carrier density n 2D for electron gases formed at KTaO 3 (111), (001) and (110) interfaces. For the (111) interface, a remarkable linear dependence of T c on n 2D is observed over a range of nearly one order of magnitude. Further, our study of the dependence of superconductivity on gate electric fields reveals the role of the interface in mediating superconductivity. We find that the extreme sensitivity of superconductivity to crystallographic orientation can be explained by pairing via inter-orbital interactions induced by an inversion-breaking transverse optical phonon and quantum confinement. This mechanism is also consistent with the dependence of T c on n 2D . Our study may shed light on the pairing mechanism in other superconducting quantum paraelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

AMEGO: Exploring the Extreme Multimessenger Universe

The All-sky Medium Energy Gamma-ray Observatory (AMEGO) is a Probe-class mission concept that will provide essential contributions to multimessenger astrophysics in the next decade. AMEGO operates both as a Compton and pair telescope to achieve unprecedented sensitivity between 200 keV and>5 GeV. The instrument consists of four subsystems. A double-sided strip silicon Tracker gives a precise measure of the first Compton scatter interaction and tracks of pair-conversion products. A novel CdZnTe Low Energy Calorimeter with excellent position and energy resolution surrounds the bottom and sides of the Tracker to detect the Compton-scattered photons which enhances the polarization and narrow-line sensitivity. A thick CsI High Energy Calorimeter contains the high-energy Compton and pair events. The instrument is surrounded by aplastic anti-coincidence detector to veto the cosmic-ray background. We have performed detailed simulations to predict the telescope performance and are currently building a prototype instrument. The AMEGO prototype, known as ComPair, will be tested at the High Intensity Gamma-Ray Source in 2021, followed by a balloon flight in Fall of 2022. In this presentation we will give an overview of the science motivation, a description of the observatory, and an update of the prototype instrument development.

Carolyn Ann Kierans↗
DOE OSTI2021

Ammonia separation from N 2 and H 2 over LTA zeolitic imidazolate framework membranes

LTA type zeolitic imidazolate framework membranes denoted as ZIF-21 were synthesized and evaluated for the separation of a commodity chemical, ammonia, from nitrogen and hydrogen. Membranes were grown using secondary seeded growth. Ammonia permeances were as high as 1727 GPU, with NH 3 /N 2 , and NH 3 /H 2 ideal selectivities of 35, and 12 respectively. ZIF-21 membranes were also evaluated for gas mixtures composed of 13.8:86.2 NH 3 /N 2 and NH 3 /H 2 , with mixture separation selectivities as high as 7.6 for NH 3 /N 2 . Differences in adsorption, and diffusivities were identified as the key separation mechanisms. Specifically, for both gas pairs the polar-polar interaction between ammonia and the linker polar channels, led to the preferential adsorption of ammonia, and therefore favored thermodynamically the separation of ammonia from nitrogen and hydrogen. In addition, for NH 3 /N 2 gas pair, differences in diffusivities was a contributing separation mechanism. For NH 3 /H 2 gas pair, due to the faster hydrogen diffusivity, the kinetic contribution was a strong competing separation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

A molecular-field approximation for quantum crystals

Ground-state properties of quantum crystals have received considerable attention from both theorists and experimentalists. The theoretical results have varied widely with the Monte Carlo calculations being the most successful. The molecular field approximation yields ground-state properties which agree closely with the Monte Carlo results. This approach evaluates the dynamical behavior of each pair of molecules in the molecular field of the other N-2 molecules. In addition to predicting ground-state properties that agree well with experiment, this approach yields data on the relative importance of interactions of different nearest neighbor pairs.

Danilowicz, R.↗
DOE OSTI2019

E-1039 "SpinQuest" FPGA Trigger

The SpinQuest experiment will measure an azimuthal asymmetry in the Drell-Yan production of $\mu+$ $\mu-$ pairs from 120 GeV/c proton interactions with polarized nucleons to extract the Sivers function for $\bar{u}$ and $\bar{d}$. A large combinatorial background from muons produced in the beam dump requires a trigger which is capable of identifying dimuon pairs originating from the target in a high rate environment. The trigger system consists of four stations of scintillator hodoscopes whose 96 channels are digitized and processed by field-programmable gate array (FPGA) based VMEbus modules. Hodoscope hit patterns are compared to predetermined sets, chosen from Monte Carlo simulations, in a tiered lookup table to generate trigger decisions. The design and current status of the FPGA trigger will be presented and planned upgrades to the trigger logic will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2002

Physical interaction of the activator protein-1 factors c-Fos and c-Jun with Cbfa1 for collagenase-3 promoter activation

Previously, we determined that the activator protein-1 (AP-1)-binding site and the runt domain (RD)-binding site and their binding proteins, c-Fos.c-Jun and Cbfa, regulate the collagenase-3 promoter in parathyroid hormone-treated and differentiating osteoblasts. Here we show that Cbfa1 and c-Fos.c-Jun appear to cooperatively bind the RD- and AP-1-binding sites and form ternary structures in vitro. Both in vitro and in vivo co-immunoprecipitation and yeast two-hybrid studies further demonstrate interaction between Cbfa1 with c-Fos and c-Jun in the absence of phosphorylation and without binding to DNA. Additionally, only the runt domain of Cbfa1 was required for interaction with c-Jun and c-Fos. In mammalian cells, overexpression of Cbfa1 enhanced c-Jun activation of AP-1-binding site promoter activity, demonstrating functional interaction. Finally, insertion of base pairs that disrupted the helical phasing between the AP-1- and RD-binding sites also inhibited collagenase-3 promoter activation. Thus, we provide direct evidence that Cbfa1 and c-Fos.c-Jun physically interact and cooperatively bind the AP-1- and RD-binding sites in the collagenase-3 promoter. Moreover, the AP-1- and RD-binding sites appear to be organized in a specific required helical arrangement that facilitates transcription factor interaction and enables promoter activation.

Non-NASA Center↗
NASA NTRS2009

Interaction of Aircraft Wakes From Laterally Spaced Aircraft

Large Eddy Simulations are used to examine wake interactions from aircraft on closely spaced parallel paths. Two sets of experiments are conducted, with the first set examining wake interactions out of ground effect (OGE) and the second set for in ground effect (IGE). The initial wake field for each aircraft represents a rolled-up wake vortex pair generated by a B-747. Parametric sets include wake interactions from aircraft pairs with lateral separations of 400, 500, 600, and 750 ft. The simulation of a wake from a single aircraft is used as baseline. The study shows that wake vortices from either a pair or a formation of B-747 s that fly with very close lateral spacing, last longer than those from an isolated B-747. For OGE, the inner vortices between the pair of aircraft, ascend, link and quickly dissipate, leaving the outer vortices to decay and descend slowly. For the IGE scenario, the inner vortices ascend and last longer, while the outer vortices decay from ground interaction at a rate similar to that expected from an isolated aircraft. Both OGE and IGE scenarios produce longer-lasting wakes for aircraft with separations less than 600 ft. The results are significant because concepts to increase airport capacity have been proposed that assume either aircraft formations and/or aircraft pairs landing on very closely spaced runways.

Proctor, Fred H.↗
DOE OSTI2018

Mapping Functional Substrate–Enzyme Interactions in the pol β Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs

We report high-resolution crystal structures of DNA polymerase (pol) β in ternary complex with a panel of incoming dNTPs carrying acidity-modified 5'-triphosphate groups. These novel dNTP analogues have a variety of halomethylene substitutions replacing the bridging oxygen between Pβ and Pγ of the incoming dNTP, whereas other analogues have alkaline substitutions at the bridging oxygen. Use of these analogues allows the first systematic comparison of effects of 5'-triphosphate acidity modification on active site structures and the rate constant of DNA synthesis. These ternary complex structures with incoming dATP, dTTP, and dCTP analogues reveal the enzyme’s active site is not grossly altered by the acidity modifications of the triphosphate group, yet with analogues of all three incoming dNTP bases, subtle structural differences are apparent in interactions around the nascent base pair and at the guanidinium groups of active site arginine residues. Lastly, these results are important for understanding how acidity modification of the incoming dNTP’s 5'-triphosphate can influence DNA polymerase activity and the significance of interactions at arginines 183 and 149 in the active site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Properties of isoscalar-pair condensates

In this work, it is pointed out that the ground state of $n$ neutrons and n protons in a single-$j$ shell, interacting through an isoscalar ($T=0$) pairing force, is not paired, $J=0$, but rather spin aligned, $J=n$. This observation is explained in the context of a model of isoscalar $P(J=1)$ pairs, which is mapped onto a system of $p$ bosons, leading to an approximate analytic solution of the isoscalar-pairing limit in $jj$ coupling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins

The mer operon in bacteria encodes a set of proteins and enzymes that impart resistance to environmental mercury toxicity by importing Hg 2+ and reducing it to volatile Hg(0). Because the reduction occurs in the cytoplasm, mercuric ions must first be transported across the cytoplasmic membrane by one of a few known transporters. MerF is the smallest of these, containing only two transmembrane helices and two pairs of vicinal cysteines that coordinate mercuric ions. In this work, we use molecular dynamics simulations to characterize the dynamics of MerF in its apo and Hg 2+ -bound states. We find that the apo state positions one of the cysteine pairs closer to the periplasmic side of the membrane, while in the bound state the same pair approaches the cytoplasmic side. This finding is consistent with the functional requirement of accepting Hg 2+ from the periplasmic space, sequestering it on acceptance, and transferring it to the cytoplasm. Conformational changes in the TM helices facilitate the functional interaction of the two cysteine pairs. Free-energy calculations provide a barrier of 16 kcal/mol for the association of the periplasmic Hg 2+ -bound protein MerP with MerF and 7 kcal/mol for the subsequent association of MerF's two cysteine pairs. Despite the significant conformational changes required to move the binding site across the membrane, coarse-grained simulations of multiple copies of MerF support the expectation that it functions as a monomer. Finally, our results demonstrate how conformational changes and binding thermodynamics could lead to such a small membrane protein acting as an ion transporter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Quasi-steady solar wind dynamics

Progress in understanding the large scale dynamics of quasisteady, corotating solar wind structure was reviewed. The nature of the solar wind at large heliocentric distances preliminary calculations from a 2-D MHD model are used to demonstrate theoretical expectations of corotating structure out to 30 AU. It is found that the forward and reverse shocks from adjacent CIR's begin to interact at about 10 AU, producing new shock pairs flanking secondary CIR's. These sawtooth secondary CIR's interact again at about 20 AU and survive as visible entities to 30 AU. The model predicts the velocity jumps at the leading edge of the secondary CIR's at 30 AU should be very small but there should still be sizable variations in the thermodynamic and magnetic parameters. The driving dynamic mechanism in the distant solar wind is the relaxation of pressure gradients. The second topic is the influence of weak, nonimpulsive time dependence in quasisteady dynamics. It is suggested that modest large scale variations in the coronal flow speed on periods of several hours to a day may be responsible for many of the remaining discrepancies between theory and observation. Effects offer a ready explanation for the apparent rounding of stream fronts between 0.3 and 1.0 AU discovered by Helios.

Pizzo, V. J.↗
DOE OSTI2026

Effect of Antagonistic Binder–Catalyst Interactions on Catalytic Activity in Lithium–Sulfur Batteries

Lithium-sulfur (Li-S) batteries are a promising next-generation energy storage solution, as they can reduce reliance on critical transition metals while offering high energy densities. However, their deployment is hindered by low sulfur utilization and the formation/diffusion of lithium polysulfides (LiPSs). While transition-metal catalysts and polymeric binders have been independently developed to enhance redox kinetics and LiPS adsorption, their mutual compatibility has remained largely unexplored. We show here that binder-catalyst interactions can significantly impact catalytic performance. Employing TiO 2 as a generic catalyst, the electrochemical performance is shown to depend strongly on the binder environment. TiO 2 paired with lithiated polyacrylic acid (LiPAA) shows benign interactions, resulting in enhanced cycle life. In contrast, pairing TiO 2 with protonated PAA produces antagonistic interactions that hinder Li 2 S growth. A mechanistic analysis unveils that the carboxylic H atom in PAA promotes COO − coordination to Ti sites, occupying catalytic centers and suppressing LiPS adsorption, increasing charge transfer and diffusion resistances. This phenomenon is observed across multiple catalysts, indicating that COOH-functionalized binders may broadly hinder catalytic activity. Overall, this study underscores the need for holistic cathode design and identifies binder-catalyst compatibility as an important parameter for high-performance Li-S batteries.

25 ENERGY STORAGE↗
NASA NTRS1993

Strong vortex/boundary layer interactions. II - Vortices low

This is the second of two papers on the interaction between a longitudinal vortex pair, produced by a delta-wing at angle of attack, and a turbulent boundary layer developing on a flat plate. In the first paper only the outer parts of the vortices entered the boundary layer whereas in this paper the vortices merge with it. In the resultant interaction, the boundary layer between the vortices is kept thin by lateral divergence and a three-dimensional separation line is formed outboard of each vortex. Turbulent, momentum-deficient fluid containing longitudinal vorticity is entrained from the boundary layer along these lines and wrapped around the vortices. As a consequence, the turbulent region of the vortices increases in size and the circulation slowly decreases. It is shown that the flow near the separation line and in the vortices is complicated, and this interaction is expected to be more difficult to calculate than the first. Detailed mean flow and turbulence measurements are reported.

Cutler, A. D.↗
DOE OSTI2021

Manipulating Pore Topology and Functionality to Promote Fluorocarbon-Based Adsorption Cooling

With the worldwide demand for refrigeration and cooling expected to triple, it is increasingly important to search for alternative energy resources to drive the refrigeration cycles with reduced electricity consumption. Recently, adsorption cooling has gained increased attention since energy reallocation in such systems is based on gas adsorption/desorption, which can be driven by waste/natural heat sources. Eco-friendly sorption-based cooling relies on the cyclic transfer of refrigerant gas from a high to low energy state by the pseudo-compression effect resulting from adsorption and desorption. The driving force for energy transfer relies on heat rather than electricity. The performance of a sorption chiller is primarily influenced by this cyclic sorption behavior, which is characterized as the working capacity of the porous sorbent. Thus increases in this working capacity directly translate to a more compact and efficient cooling system. How-ever, a lack of highly effective sorbent/refrigerant pairs lowers cooling performance, and therefore has limited applicability. To this end, synthetic metal-organic frameworks (MOFs) and covalent organic polymers (COPs) possess higher porosity and greater tunability leading to more substantial potential benefits for adsorption, compared to traditional sorbent materials. Similarly, hydrofluorocarbon refrigerants have more favorable applicability given ease of operation above atmospheric pressures due to suitable saturated vapor pressures and boiling points. For these reasons, our work focuses on an ongoing strategy to promote sorption cooling via improvements in the sorbent/refrigerant pair. Specifically, we target the interaction of hydrofluorocarbon refrigerants with MOF/COP materials at a molecular level by interpreting the host-guest chemistry and the role of framework pore topology. These molecular level differences translate to cooling performance, which is described herein. These strategies include engineering framework porosity (i.e., pore size, pore volume) by using elongated organic linkers and stereochemistry control during synthesis; manipulating the sorb-ate/sorbent interaction by introducing functional moieties or unsaturated metal centers to enhance working capacities in narrow pressure ranges; varying pore topology/morphology to impact adsorption isotherm behavior; and leveraging defective sites within the frameworks to further enhance adsorption capability. Here this atomic level understanding of sorb-ate-sorbent interactions is conducted using various in situ experimental techniques such as synchrotron-based X-ray diffraction, X-ray absorption spectroscopy, in situ Fourier transform infrared spectroscopy, and direct sorption energies determinization with calorimetry. Moreover, the experimentally studied interactions and the corresponding adsorption mechanism are corroborated by computational studies using density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations. Using this approach, we envision the capability to engineer designed frameworks with precise molecular control to target refrigerant molecules and thereby enhance the performance of desired working pairs for sorption-based cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions

We report that recent studies of pairing and charge order in materials such as FeSe, SrTiO 3 , and 2H-NbSe 2 have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study Hamiltonians which either do not include or else truncate the range of Coulomb repulsion have noted that the resulting spatial nonlocality of the electron-phonon interaction leads to a dominant tendency to phase separation. Here we present quantum Monte Carlo results for such models in which we incorporate both on-site and intersite electron-electron interactions. We show that these can stabilize phases in which the density is homogeneous and determine the associated phase boundaries. As a consequence, the physics of momentum dependent electron-phonon coupling can be determined outside of the trivial phase separated regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗