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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Frustration Properties of the 1D Ising Model

We analyze frustration properties of the Ising model for a 1D monatomic equidistant lattice in an external uniform magnetic field considering exchange interactions of atomic spins at the sites of the first (nearest) and second neighbors. Exact analytic expressions for thermodynamic and magnetic characteristics of the system, as well as for the Fourier transform of the pair spin–spin correlation function and magnetic diffused scattering wavevectors, were obtained by the method of the Kramers–Wannier transfer matrix considering the exchange interaction between spins at the nearest-neighbor sites in an external magnetic field, as well as the exchange interaction between spins at the second-neighbor sites in zero magnetic field. The criteria for the emergence of magnetic frustration in the presence of competition not only between exchange-interaction energies, but also between these energies and the external magnetic field energy are formulated. The frustration points and the values of frustration magnetic fields depending on the magnitudes and signs of the exchange interaction are determined. The distinguishing features of this model in the frustration regime and its vicinity are analyzed. The set of characteristic features inherent in observables for systems with magnetic frustrations is considered and analyzed. It is shown that the inclusion of competing exchange interactions at the first- and second-neighbor sites makes it possible to describe the behavior of the magnetic diffused scattering wavevector for commensurate, incommensurate, and lock-in structures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

A SELF-CONSISTENT EXPLANATION OF TeV EMISSIONS FROM HESS J1640-465 AND HESS J1641-463

The bright TeV source HESS J1640-465 is positionally coincident with the young supernova remnant (SNR) G338.3-0.0, and the nearby HESS J1641-463 with TeV gamma-ray emission seems to be closely associated with it. Based on the nonlinear diffusion shock acceleration model, we explore the emission from these two TeV sources, the particle diffusion is assumed to be different inside and outside the absorbing boundary of the particles accelerated in the SNR shock. The results indicate that (1) the GeV–TeV emission from the region of the HESS J1640-465 is produced as a result of the particle acceleration inside the SNR G338.3-0.0 and (2) the runaway cosmic-ray particles outside the SNR are interacting with the nearby dense molecular cloud (MC) at the region of the HESS J1641-463, corresponding π{sup 0} decay gamma-ray in proton–proton collision contribute to the TeV emission from the HESS J1641-463. Also, we investigate the possible X-ray emission in MC from the synchrotron procedure by secondary e{sup ±} produced through escaped protons interaction with the MC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Site-specific photo-crosslinking in a double crossover DNA tile facilitated by squaraine dye aggregates: advancing thermally stable and uniform DNA nanostructures

We investigated the role of dichloro-squaraine (SQ) dye aggregates in facilitating thymine–thymine interstrand photo-crosslinking within double crossover (DX) tiles, to develop thermally stable and structurally uniform two-dimensional (2D) DNA-based nanostructures. By strategically incorporating SQ modified thymine pairs, we enabled site-selective [2 + 2] photocycloaddition under 310 nm UV light. Strong dye–dye interactions, particularly through the formation of aggregates, facilitated covalent bond formation between proximal thymines. To evaluate the impact of dye aggregation on crosslinking efficiency, ten DX tile variants with varying SQ-modified thymine positions were tested. Our results demonstrated that SQ dye aggregates significantly enhanced crosslinking, driven by precise SQ-modified thymine dimer placement within the DNA tiles. Analytical techniques, including denaturing PAGE and UV-visible spectroscopy, validated successful crosslinking in DNA tiles with multiple SQ-modified thymine pairs. This non-phototoxic method offers a potential route for creating thermally stable, homogeneous higher-order DNA–dye assemblies with potential applications in photoactive and exciton-based fields such as optoelectronics, nanoscale computing, and quantum computing. Furthermore, the insights from this study establish a foundation for further exploration of advanced DNA–dye systems, enabling the design of next-generation DNA nanostructures with enhanced functional properties.

2D DNA template↗
DOE OSTI2020

Triplet Resonating Valence Bond State and Superconductivity in Hund’s Metals

A central idea in strongly correlated systems is that doping a Mott insulator leads to a superconductor by transforming the resonating valence bonds (RVBs) into spin-singlet Cooper pairs. Here, we argue that a spin-triplet RVB (tRVB) state, driven by spatially, or orbitally anisotropic ferromagnetic interactions can provide the parent state for triplet superconductivity. We apply this idea to the iron-based superconductors, arguing that strong on site Hund’s interactions develop intra-atomic tRVBs between the $t_{2_g}$ orbitals. On doping, the presence of two iron atoms per unit cell allows these interorbital triplets to coherently delocalize onto the Fermi surface, forming a fully gapped triplet superconductor. In this work, this mechanism gives rise to a unique staggered structure of on site pair correlations, detectable as an alternating π phase shift in a scanning Josephson tunneling microscope.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Two Dimensional Wake Vortex Simulations in the Atmosphere: Preliminary Sensitivity Studies

A numerical large-eddy simulation model is currently being used to quantify aircraft wake vortex behavior with meteorological observables. The model, having a meteorological framework, permits the interaction of wake vortices with environments characterized by crosswind shear, stratification, and humidity. The addition of grid-scale turbulence as an initial condition appeared to have little consequence. Results show that conventional nondimensionalizations work very well for vortex pairs embedded in stably stratified flows. However, this result is based on simple environments with constant Brunt-Vaisala frequency. Results presented here also show that crosswind profiles exert important and complex interactions on the trajectories of wake vortices. Nonlinear crosswind profiles tended to arrest the descent of wake vortex pairs. The member of the vortex pair with vorticity of same sign as the vertical change in the ambient along-track vorticity may be deflected upwards.

Proctor, F. H.↗
DOE OSTI2020

Targeting tRNA-synthetase interactions towards novel therapeutic discovery against eukaryotic pathogens

The development of chemotherapies against eukaryotic pathogens is especially challenging because of both the evolutionary conservation of drug targets between host and parasite, and the evolution of strain-dependent drug resistance. There is a strong need for new nontoxic drugs with broad-spectrum activity against trypanosome parasites such as Leishmania and Trypanosoma. A relatively untested approach is to target macromolecular interactions in parasites rather than small molecular interactions, under the hypothesis that the features specifying macromolecular interactions diverge more rapidly through coevolution. We computed tRNA Class-Informative Features in humans and independently in eight distinct clades of trypanosomes, identifying parasite-specific informative features, including base pairs and base mis-pairs, that are broadly conserved over approximately 250 million years of trypanosome evolution. Validating these observations, we demonstrated biochemically that tRNA:aminoacyl-tRNA synthetase (aaRS) interactions are a promising target for anti-trypanosomal drug discovery. From a marine natural products extract library, we identified several fractions with inhibitory activity toward Leishmania major alanyl-tRNA synthetase (AlaRS) but no activity against the human homolog. These marine natural products extracts showed cross-reactivity towards Trypanosoma cruzi AlaRS indicating the broad-spectrum potential of our network predictions. We also identified Leishmania major threonyl-tRNA synthetase (ThrRS) inhibitors from the same library. We discuss why chemotherapies targeting multiple aaRSs should be less prone to the evolution of resistance than monotherapeutic or synergistic combination chemotherapies targeting only one aaRS.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Close Major-merger Pairs at z = 0: Bulge-to-total Ratio and Star Formation Enhancement

We present a study of the bulge-to-total ratio (B/T) of a Ks-band-selected sample of 88 close major-merger pairs of galaxies (H-KPAIR), based on two-dimensional decompositions of SDSS r-band images with galfit. We investigate the dependence of the interaction-induced specific star formation rate enhancement (sSFR enh ) on the B/T ratio, and the effects of this dependence on the differences between star-forming galaxies (SFGs) in spiral+spiral (S+S) and spiral+elliptical (S+E) pairs. Of all the 132 spiral galaxies in H-KPAIR, the 44 in S+E pairs show higher B/T than those in the 44 S+S pairs, with means of B/T = 0.35 ± 0.05 and B/T = 0.26 ± 0.03, respectively. Furthermore, there is a strong negative dependence of sSFR enh on the B/T ratio, and only paired SFGs with B/T < 0.3 show significant (>5σ) enhancement. Paired SFGs in S+S pairs show a similar trend, and many disky SFGs (B/T < 0.1) in S+S pairs have strong sSFR enhancements (sSFR enh > 0.7 dex). For SFGs in S+E pairs, the sSFR has no clear B/T dependence, nor any significant enhancement in any B/T bin. Disky SFGs in S+S pairs show significant (>4σ) enhancement in molecular gas content (${M}_{{{\rm{H}}}_{2}}/{M}_{\mathrm{star}}$), while SFGs in S+E pairs have no such enhancement in any B/T bin. No significant enhancement of the total gas content (Mgas/Mstar) is found in any B/T bin for paired galaxies. The star formation efficiency of either the total gas (SFE gas = SFR/M gas ) or molecular gas (${\mathrm{SFE}}_{{{\rm{H}}}_{2}}=\mathrm{SFR}/{M}_{{{\rm{H}}}_{2}}$) does not depend on the B/T ratio. The only significant (> 4σ) SFE enhancement found for paired SFGs is the SFE gas for disky SFGs in S+S pairs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Reactive optical matter: light-induced motility in electrodynamically asymmetric nanoscale scatterers

From Newton’s third law, which is known as the principle of actio et reactio, we expect the forces between interacting particles to be equal and opposite for closed systems. Otherwise, “nonreciprocal” forces can arise. This has been shown theoretically in the interaction between dissimilar optically trapped particles that are mediated by an external field. As a result, despite the incident external field not having a transverse component of momentum, the particle pair experiences a force in a direction that is transverse to the light propagation direction. In this letter, we directly measure the net nonreciprocal forces in electrodynamically interacting asymmetric nanoparticle dimers and nanoparticle structures that are illuminated by plane waves and confined to pseudo one-dimensional geometries. We show via electrodynamic theory and simulations that interparticle interactions cause asymmetric scattering from heterodimers. Therefore, the nonreciprocal forces are a consequence of momentum conservation. Our study demonstrates that asymmetric scatterers exhibit directed motion due to the breakdown of mirror symmetry in open systems that involve incident external fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at s NN = 2.76 TeV

The size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π ± π ± , K ± K ± , K$0\atop{S}$K$0\atop{S}$, pp , and $\overline{p}$ $\overline{p}$ correlations from Pb-Pb collisions at s NN = 2.76 TeV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. The comparison of the measured radii with the predictions from a hydrokinetic model is discussed. The pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass m T which is consistent with hydrodynamic model predictions for central collisions. Lastly, the kaon and proton source sizes can be reasonably described by approximate m T scaling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Realizing symmetry-guaranteed pairs of bound states in the continuum in metasurfaces

Abstract Bound states in the continuum (BICs) have received significant attention for their ability to enhance light-matter interactions across a wide range of systems, including lasers, sensors, and frequency mixers. However, many applications require degenerate or nearly degenerate high-quality factor ( Q ) modes, such as spontaneous parametric down conversion, non-linear four-wave mixing, and intra-cavity difference frequency mixing for terahertz generation. Previously, degenerate pairs of bound states in the continuum (BICs) have been created by fine-tuning the structure to engineer the degeneracy, yielding BICs that respond unpredictably to structure imperfections and material variations. Instead, using a group theoretic approach, we present a design paradigm based on six-fold rotational symmetry ( C 6 ) for creating degenerate pairs of symmetry-protected BICs, whose frequency splitting and Q -factors can be independently and predictably controlled, yielding a complete design phase space. Using a combination of resonator and lattice deformations in silicon metasurfaces, we experimentally demonstrate the ability to tune mode spacing from 2 nm to 110 nm while simultaneously controlling Q -factor.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Tracking copper nanofiller evolution in polysiloxane during processing into SiOC ceramic

Polymer-derived ceramics (PDCs) remain at the forefront of research for a variety of applications including ultra-high-temperature ceramics, energy storage and functional coatings. Despite their wide use, questions remain about the complex structural transition from polymer to ceramic and how local structure influences the final microstructure and resulting properties. This is further complicated when nanofillers are introduced to tailor structural and functional properties, as nanoparticle surfaces can interact with the matrix and influence the resulting structure. The inclusion of crystalline nanofiller produces a mixed crystalline–amorphous composite, which poses characterization challenges. With this study, we aim to address these challenges with a local-scale structural study that probes changes in a polysiloxane matrix with incorporated copper nanofiller. Composites were processed at three unique temperatures to capture mixing, pyrolysis and initial crystallization stages for the pre-ceramic polymer. We observed the evolution of the nanofiller with electron microscopy and applied synchrotron X-ray diffraction with differential pair distribution function (d-PDF) analysis to monitor changes in the matrix's local structure and interactions with the nanofiller. The application of the d-PDF to PDC materials is novel and informs future studies to understand interfacial interactions between nanofiller and matrix throughout PDC processing.

Chemistry↗
DOE OSTI2025

Minimal cyclic behavior in sheared amorphous solids

Although jammed packings of soft spheres exist in potential energy landscapes with a vast number of minima, when subjected to cyclic shear they may revisit the same configurations repeatedly. Simple hysteretic spin models, in which particle rearrangements are represented by interacting spin flips called hysterons, capture many features of this periodic behavior. Yet it has been unclear to what extent individual rearrangements can be described by such binary objects and how such objects interact with one another. Using a particularly sensitive algorithm, we identify rearrangements in simulated jammed packings and select pairs of rearrangements that undo one another to create periodic cyclic behavior. We find that the rearrangement pairs surprisingly persist down to the smallest increments in strain, even in the smallest systems we can study. We explore the statistics of these rearrangement pairs and find that there is a relation between the amount of hysteresis and the energy drop and mean-square displacement of the particles; these results are inconsistent with the scaling found in models that treat rearrangements as localized buckling events. Finally, our analysis shows that there is no clean distinction between the particle motions that represent the identity of a single, individual rearrangement and the particle motions that lead to interactions between separated rearrangements or hysterons. These results offer insight into how complex systems such as amorphous solids can reach a limit cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A triple-energy-source model for superluminous supernova iPTF13ehe

Almost all superluminous supernovae (SLSNe) whose peak magnitudes are ≲−21 mag can be explained by the {sup 56}Ni-powered model, the magnetar-powered (highly magnetized pulsar) model, or the ejecta-circumstellar medium (CSM) interaction model. Recently, iPTF13ehe challenged these energy-source models, because the spectral analysis shows that ∼2.5M{sub ⊙} of {sup 56}Ni have been synthesized, but are inadequate to power the peak bolometric emission of iPTF13ehe, while the rebrightening of the late-time light curve (LC) and the Hα emission lines indicate that the ejecta-CSM interaction must play a key role in powering the late-time LC. Here we propose a triple-energy-source model, in which a magnetar together with some amount (≲2.5M{sub ⊙}) of {sup 56}Ni may power the early LC of iPTF13ehe, while the late-time rebrightening can be quantitatively explained by an ejecta-CSM interaction. Furthermore, we suggest that iPTF13ehe is a genuine core-collapse supernova rather than a pulsational pair-instability supernova candidate. Further studies on similar SLSNe in the future would eventually shed light on their explosion and energy-source mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Search for excited electrons singly produced in proton–proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS experiment at the LHC

A search for excited electrons produced in pp collisions at $\sqrt{s}$ = 13 TeV via a contact interaction $q\overline{q}$ → ee* is presented. The search uses 36.1 fb -1 of data collected in 2015 and 2016 by the ATLAS experiment at the Large Hadron Collider. Decays of the excited electron into an electron and a pair of quarks ($eq\overline{q}$) are targeted in final states with two electrons and two hadronic jets, and decays via a gauge interaction into a neutrino and a W boson ( νW ) are probed in final states with an electron, missing transverse momentum, and a large-radius jet consistent with a hadronically decaying W boson. No significant excess is observed over the expected backgrounds. Upper limits are calculated for the pp → ee* →$eeq\overline{q}$ and pp → ee* → eνW production cross sections as a function of the excited electron mass $m_{e*}$ at 95% confidence level. The limits are translated into lower bounds on the compositeness scale parameter Λ of the model as a function of $m_{e*}$. For $m_{e*}$ <0.5 TeV, the lower bound for Λ is 11 TeV. In the special case of $m_{e*}$=Λ, the values of $m_{e*}$< 4.8 TeV are excluded. The presented limits on Λ are more stringent than those obtained in previous searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Neutrino masses and scalar singlet dark matter

Here We propose a simple extension of the Standard Model (SM) which has a viable dark matter (DM) candidate and can explain the generation of tiny neutrino masses. The DM is an electroweak (EW) singlet scalar S, odd under an imposed exact Z 2 symmetry, that interacts with the SM through the “Higgs portal” coupling, while all other particles are even under Z 2 . The model also has an EW isospin 3/2 scalar Δ and a pair of EW isospin vectors Σ and $\bar{Σ}$, which are responsible for generating tiny neutrino mass via the effective dimension-seven operator. Thanks to the additional interactions with Δ, the scalar singlet DM S survives a large region of parameter space by relic density constraints from WMAP/Planck and direct search bounds from updated LUX data. Constraints on the model from the LHC are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2011

Aerodynamic Testing of the Orion Launch Abort Tower Separation with Jettison Motor Jet Interactions

The aerodynamic database for the Orion Launch Abort System (LAS) was developed largely from wind tunnel tests involving powered jet simulations of the rocket exhaust plumes, supported by computational fluid dynamics (CFD) simulations. The LAS contains three solid rocket motors used in various phases of an abort to provide propulsion, steering, and Launch Abort Tower (LAT) jettison from the Crew Module (CM). This paper describes a pair of wind tunnel experiments performed at transonic and supersonic speeds to determine the aerodynamic effects due to proximity and jet interactions during LAT jettison from the CM at the end of an abort. The tests were run using two different scale models at angles of attack from 150deg to 200deg , sideslip angles from -10deg to +10deg , and a range of powered thrust levels from the jettison motors to match various jet simulation parameters with flight values. Separation movements between the CM and LAT included axial and vertical translations as well as relative pitch angle between the two bodies. The paper details aspects of the model design, nozzle scaling methodology, instrumentation, testing procedures, and data reduction. Sample data are shown to highlight trends seen in the results.

Rhode, Matthew N.↗
DOE OSTI2022

Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction

Strong field ionization of neutral iodoacetylene (HCCI) can produce a coherent superposition of the X and A cations. This superposition results in charge migration between the CC π orbital and the iodine π-type lone pair which can be monitored by strong field ionization with short, intense probe pulses. Strong field ionization of the X and A states of HCCI cation was simulated with time-dependent configuration interaction using singly ionized configurations and singly excited, singly ionized configurations (TD-CISD-IP) and an absorbing boundary. Studies with static fields were used to obtain the 3-dimensional angular dependence of instantaneous ionization rates by strong fields and the orbitals involved in producing the cations and dications. The frequency of charge oscillation is determined by the energy separation of the X and A states; this separation can change depending on the direction and strength of the field. Furthermore, fields along the molecular axis can cause extensive mixing between the field-free X and A configurations. For coherent superpositions of the X and A states, the charge oscillations are characterized by two frequencies–the driving frequency of the laser field of the probe pulse and the intrinsic frequency due to the energy separation between the X and A states. For linear and circularly polarized pulses, the ionization rates show marked differences that depend on the polarization direction of the pulse, the carrier envelope phase and initial phase of the superposition. Varying the initial phase of the superposition at the beginning of the probe pulse is analogous to changing the delay between the pump and probe pulses. The charge oscillation in the coherent superposition of the X and A states results in maxima and minima in the ionization yield as a function of the superposition phase

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

Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗