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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Isolating solvent–solute hydrogen bonding interactions via 2D IR solvation shell spectroscopy

The solvation shell around a solute is a fundamental feature of liquid-phase solutions, determining the behavior and properties of both the solute and the overall solution. Direct experimental measurements of the solvation shell properties are challenging due to the strong signals generated from the bulk solvent, which overwhelm the small contribution of the solvation shell. Here, we use ultrafast two dimensional infrared (2D IR) spectroscopy and intermolecular cross-peaks to isolate the IR absorption spectrum of methanol molecules in the solvation shell surrounding the solute N-methylacetamide. We demonstrate that the intermolecular coupling between the solvent and solute vibrations is indirectly mediated by a low-frequency hydrogen-bonding mode, suggesting an important mechanism for anharmonic coupling induced by hydrogen bonds. From the relative frequency shifts and cross-peak anisotropy, we find that methanol molecules surrounding N-methylacetamide form stronger and distinctly oriented hydrogen bonds than those in the bulk solvent. Here, we also compare these results with the solvent spectra of the solute N,N-dimethylacetamide to investigate how solute structural changes alter the solvation shell and the contribution of N–H hydrogen bond donation. Our results are supported by molecular dynamics simulations, which provide detailed insights into the hydrogen-bonding distributions. Through these results, we demonstrate 2D solvation shell spectroscopy to be a valuable method for investigating solvation structures and dynamics without interference from the bulk solvent.

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

Inflation with massive vector fields

We investigate the coupling between the inflaton and massive vector fields. All renormalizable couplings with shift symmetry of the inflaton are considered. The massive vector can be decomposed into a scalar mode and a divergence-free vector mode. We show that the former naturally interacts with the inflaton and the latter decouples at tree level. The model in general predicts f{sub NL}equil = O(1), while in some regions of the parameter space large non-Gaussianity can arise.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Multi-GeV wakefield acceleration in a plasma-modulated plasma accelerator

We investigate the accelerator stage of a plasma-modulated plasma accelerator (P-MoPA) [Jakobsson , ] using both the paraxial wave equation and particle-in-cell (PIC) simulations. We show that adjusting the laser and plasma parameters of the modulator stage of a P-MoPA allows the temporal profile of pulses within the pulse train to be controlled, which in turn allows the wake amplitude in the accelerator stage to be as much as 72 % larger than that generated by a plasma beat-wave accelerator with the same total drive laser energy. Our analysis shows that Rosenbluth-Liu detuning is unimportant in a P-MoPA if the number of pulses in the train is less than ∼ 30 , and that this detuning is also partially counteracted by increased red-shifting, and hence increased pulse spacing, towards the back of the train. An analysis of transverse mode oscillations of the driving pulse train is found to be in good agreement with 2D (Cartesian) PIC simulations. PIC simulations demonstrating energy gains of ∼ 1.5 GeV ( ∼ 2.5 GeV ) for drive pulse energies of 2.4 J ( 5.0 J ) are presented. Our results suggest that P-MoPAs driven by few-joule, picosecond pulses, such as those provided by high-repetition-rate thin-disk lasers, could accelerate electron bunches to multi-GeV energies at pulse repetition rates in the kilohertz range. Published by the American Physical Society 2024

van de Wetering, J. J. (ORCID:0000000303292355)↗
DOE OSTI2020

Theory of the tertiary instability and the Dimits shift within a scalar model

The Dimits shift is the shift between the threshold of the drift-wave primary instability and the actual onset of turbulent transport in magnetized plasma. It is generally attributed to the suppression of turbulence by zonal flows, but developing a more detailed understanding calls for consideration of specific reduced models. The modified Terry--Horton system has been proposed by St-Onge [J. Plasma Phys. {\bf 83}, 905830504 (2017)] as a minimal model capturing the Dimits shift. Here, we use this model to develop an analytic theory of the Dimits shift and a related theory of the tertiary instability of zonal flows. We show that tertiary modes are localized near extrema of the zonal velocity $U(x)$, where $x$ is the radial coordinate. By approximating $U(x)$ with a parabola, we derive the tertiary-instability growth rate using two different methods and show that the tertiary instability is essentially the primary drift-wave instability modified by the local $U''$. Then, depending on $U''$, the tertiary instability can be suppressed or unleashed. The former corresponds to the case when zonal flows are strong enough to suppress turbulence (Dimits regime), while the latter corresponds to the case when zonal flows are unstable and turbulence develops. This understanding is different from the traditional paradigm that turbulence is controlled by the flow shear $U'$. Our analytic predictions are in agreement with direct numerical simulations of the modified Terry--Horton system.

fusion plasmas↗
NASA NTRS1987

Operation of a multi-year, multi-agency project

Organizational and technological aspects of the operation by NASA and ESA of the IUE satellite observatory since its launch in 1978 are discussed. Topics addressed include the division of responsibilities among the ground stations, the IUE orbit and its evolution, the IUE spacecraft, normal operations (proposal selection and observation planning, shift handover, and spacecraft operations), and a typical observation (target identification and acquisition, telescope focus, spectrograph modes, camera operations, calibration, and data reduction). Consideration is given to constraints on IUE operation due to the sun-earth-moon configuration (eclipses), spacecraft power, radiation, temperature, and momentum-wheel speed; problems encountered with gyros, onboard computers, the fine sun sensor, and cameras; and the reliable high-efficiency overall performance of the IUE. Diagrams, drawings, and graphs are provided.

Faelker, Juergen↗
NASA NTRS2001

Quantitative Assessment of the Integrated Response in Global Heat and Moisture Budgets to Changing Solar Irradiance

Earlier, we found time sequences of basin- and global-average upper ocean temperature (that is, diabatic heat storage above the main pycnocline) for 40 years from 1955-1994 and of sea surface temperature for 95 years from 1900-1994 associated with changes in the Sun's radiative forcing on decadal and interdecadal timescales, lagging by 10 deg.- 30 deg. of phase and confined to the upper 60-120 m. Yet, the observed changes in upper ocean temperature (approx. 0.1 K) were approximately twice those expected from the Stefan-Boltzmann black-body radiation law for the Earth's surface, with phase lags (0 deg. to 30 deg. of phase) much shorter than the 90 deg. phase shift expected as well. Moreover, White et al. (1997, 1998) found the Earth's global decadal mode in covarying SST and SLP anomalies phase locked to the decadal signal in the Sun's irradiance. Yet, Allan (2000) found this decadal signal also characterized by patterns similar to those observed on biennial and interannual time scales; that is, the Troposphere Biennial Oscillation (TBO) and the El Nino and the Southern Oscillation (ENSO). This suggested that small changes in the Sun's total irradiance could excite this global decadal mode in the Earth's ocean-atmosphere-terrestrial system similar to those excited internally on biennial and interannual period scales. This is a significant finding, proving that energy budget models (that is, models based on globally-averaged radiation balances) yield unrealistic responses. Thus, the true response must include positive and negative feedbacks in the Earth's ocean-atmosphere-terrestrial system as its internal mode (that is, the natural mode of the system) respond in damped resonance to quasi-periodic decadal changes in the Sun's irradiance. Moreover, these responses are not much different from those occurring internally on biennial and interannual period scales.

White, Warren B.↗
NASA NTRS2013

Supercritical Water Mixture (SCWM) Experiment in the High Temperature Insert-Reflight (HTI-R)

Current research on supercritical water processes on board the International Space Station (ISS) focuses on salt precipitation and transport in a test cell designed for supercritical water. This study, known as the Supercritical Water Mixture Experiment (SCWM) serves as a precursor experiment for developing a better understanding of inorganic salt precipitation and transport during supercritical water oxidation (SCWO) processes for the eventual application of this technology for waste management and resource reclamation in microgravity conditions. During typical SCWO reactions any inorganic salts present in the reactant stream will precipitate and begin to coat reactor surfaces and control mechanisms (e.g., valves) often severely impacting the systems performance. The SCWM experiment employs a Sample Cell Unit (SCU) filled with an aqueous solution of Na2SO4 0.5-w at the critical density and uses a refurbished High Temperature Insert, which was used in an earlier ISS experiment designed to study pure water at near-critical conditions. The insert, designated as the HTI-Reflight (HTI-R) will be deployed in the DECLIC (Device for the Study of Critical Liquids and Crystallization) Facility on the International Space Station (ISS). Objectives of the study include measurement of the shift in critical temperature due to the presence of the inorganic salt, assessment of the predominant mode of precipitation (i.e., heterogeneously on SCU surfaces or homogeneously in the bulk fluid), determination of the salt morphology including size and shapes of particulate clusters, and the determination of the dominant mode of transport of salt particles in the presence of an imposed temperature gradient. Initial results from the ISS experiments will be presented and compared to findings from laboratory experiments on the ground.

salts↗
DOE OSTI2021

RGB wavefront sensor for turbulence mitigation

A compact adaptive optics system for long-range horizontal paths imaging that improves degraded images. The system uses a filter that corresponds to the three colors in a typical color detector element, one or more optic elements, a deformable mirror, and a detector. Focus errors, due to turbulence, in the image recorded by the detector element show up as image shifts in the three distinct color images. The shifts and statistics of these shifts between these simultaneous images are used to create control signals for the deformable mirror resulting in a compact adaptive optic system for horizontal paths without need for a point source located at the distance scene being imaged. Analysis of the relative pixel shifts in various regions of the image provides third order statistics revealing tip/tilt and additional Zernikes modes that are used to control a deformable mirror without the need for a guide star/point-source.

O'Neill, Mary Dominique↗
DOE OSTI2017

Derivatization of Dextran for Multiply Charged Ion Formation and Electrospray Ionization Time-of-Flight Mass Spectrometric Analysis

We present the use of a simple, one-pot derivatization to allow the polysaccharide dextran to carry multiple positive charges, shifting its molecular weight distribution to a lower m/z range. We performed this derivatization because molecular weight measurements of polysaccharides by mass spectrometry are challenging because of their lack of readily ionizable groups. The absence of ionizable groups limits proton abstraction and suppresses proton adduction during the ionization process, producing mass spectra with predominantly singly charged metal adduct ions, thereby limiting the detection of large polysaccharides. To address this challenge, we derivatized dextran T1 (approximately 1 kDa) by attaching ethylenediamine, giving dextran readily ionizable, terminal amine functional groups. The attached ethylenediamine groups facilitated proton adduction during the ionization process in positive ion mode. Using the low molecular weight dextran T1, we tracked the number of ethylenediamine attachments by measuring the mass shift from underivatized to derivatized dextran T1. Using electrospray ionization time-of-flight mass spectrometry, we observed derivatized dextran chains ranging from two to nine glucose residues with between one and four attachments/charges. Our success in shifting derivatized dextran T1 toward the low m/z range suggests potential for this derivatization as a viable route for analysis of high molecular weight polysaccharides using electrospray ionization time-of-flight mass spectrometry. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Flux-driven algebraic damping of m = 2 diocotron mode

Experiments with pure electron plasmas in a Malmberg–Penning trap have observed linear in time, algebraic damping of m = 2 diocotron modes. Transport due to small field asymmetries produces a low-density halo of electrons moving radially outward from the plasma core, and the mode damping begins when the halo reaches the resonant radius of the mode. The damping rate is proportional to the flux of halo particles through the resonant layer. The damping is related to, but distinct from spatial Landau damping in which a linear wave–particle resonance produces exponential damping. This paper reports an analytic theory that captures the main signatures reported for this novel damping, namely, that the damping begins when the halo particles reach the resonant radius and that the damping is algebraic in time with nearly constant damping rate. The model also predicts a nonlinear frequency shift. The model provides two ways to think about the damping. It results from a transfer of canonical angular momentum from the mode to halo particles being swept by the mode field through the nonlinear cat's eye orbits of the resonant region. More mechanistically, the electric field produced by the perturbed charge density of the resonant particles acts back on the plasma core causing E × B drift that gives rise to the damping and nonlinear frequency shift.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Ride-hailing and taxi versus walking: Long term forecasts and implications from large-scale behavioral data

Introduction: Although ride-hailing and taxi trips can potentially reduce single-occupant vehicle trips and auto ownership, they can also replace pedestrian trips. Because physical activity is associated with improved health outcomes, the extent to which ride-hailing and taxi travel captures walking's mode share is of interest to policymakers. Methods: Based on large-scale behavioral data from the 2017 U.S. National Household Travel Survey, this paper reports on the development of a full Bayesian logistic regression model for determining the mode split between (1) ride-hailing and taxi and (2) walk while accounting for unobserved heterogeneity. The results from the stand-alone model inform two longer-term travel forecasting scenarios: a) higher risk of walk trips converting to ride-hailing and taxi, specifically in the future with high prevalence of automated vehicles, b) higher probability of such trips remaining as walking. Results: The results revealed that some of the important characteristics that increase the likelihood of a traveler using the ride-hailing and taxi mode versus walking include having a longer trip, using a smartphone to access the internet, having an interest in technologies, having a medical condition, and living in a metropolitan area with rail access. Further, the results from the first scenario suggest that an overall increase of up to 2.9% in the ride-hailing and taxi mode share may be expected. The second scenario shows that between 68% and 76% of ride-hailing and taxi trips could be diverted to walking if supportive pedestrian infrastructure were provided in the case study locations. The planning process can be adapted to consider not only congestion, crash, and emissions impacts of such shifts but also the effects of a loss of physical activity. Conclusions: The study findings show how the ride-hailing and taxi mode competes with walking. Further, the findings enable planners to update their regional travel forecasting models; policy makers can thus encourage active travel by prioritizing pedestrian infrastructure investments that may divert ride-hailing and taxi trips to walking. However, equity should be a key consideration to ensure that addressing the competition between these two modal choices does not hinder the provision of pedestrian facilities in communities that depend on walking.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Shafranov-shift destabilization of ballooning-type micro-instabilities

Contrary to common wisdom, we argue that the Shafranov shift is destabilizing for the ambient ballooning-type instabilities, which account for most of the transport flux in tokamak core plasmas. Higher Shafranov shift indeed reduces the magnetic drift frequency ω d , i.e. improves the bad curvature mildly, around the outboard midplane. However, this improvement is limited to a very narrow spatial region while ω d is increased over the remaining poloidal space. The eigenfunction averaged $\langle$ω d $\rangle$ is effectively enhanced due to the finite mode width of the eigenfunction and is thus destabilizing to the ballooning-type mode, as demonstrated by gyrokinetic simulations with the CGYRO code using local Miller equilibrium geometry. The predicted nonlinear flux also increases with Shafranov shift, consistent with linear simulations. The reduced transport model TGLF can capture the physics reasonably well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Phase shift multiplication effect of all-optical analog to electromagnetically induced transparency in two micro-cavities side coupled to a waveguide system

We propose phase shift multiplication effect of all-optical analog to electromagnetically induced transparency in two photonic crystal micro-cavities side coupled to a waveguide system through external optical pump beams. With dynamically tuning the propagation phase of the line waveguide, the phase shift of the transmission spectrum in two micro-cavities side coupled to a waveguide system is doubled along with the phase shift of the line waveguide. π-phase shift and 2π-phase shift of the transmission spectrum are obtained when the propagation phase of the line waveguide is tuned to 0.5π-phase shift and π-phase shift, respectively. All observed schemes are analyzed rigorously through finite-difference time-domain simulations and the coupled-mode formalism. These results show a new direction to the miniaturization and the low power consumption of microstructure integration photonic devices in optical communication and quantum information processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural dynamics of N-ethylpropionamide clusters examined by nonlinear infrared spectroscopy

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH{sub 3}CN, CHCl{sub 3}, and CCl{sub 4}), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics of NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed.

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

The double-gradient magnetic instability: Stabilizing effect of the guide field

The role of the dawn-dusk magnetic field component in stabilizing of the magnetotail flapping oscillations is investigated in the double-gradient model framework (Erkaev et al., Phys. Rev. Lett. 99, 235003 (2007)), extended for the magnetotail-like configurations with non-zero guide field B{sub y}. Contribution of the guide field is examined both analytically and by means of linearized 2-dimensional (2D) and non-linear 3-dimensional (3D) MHD modeling. All three approaches demonstrate the same properties of the instability: stabilization of current sheet oscillations for short wavelength modes, appearing of the typical (fastest growing) wavelength λ{sub peak} of the order of the current sheet width, decrease of the peak growth rate with increasing B{sub y} value, and total decay of the mode for B{sub y}∼0.5 in the lobe magnetic field units. Analytical solution and 2D numerical simulations claim also the shift of λ{sub peak} toward the longer wavelengths with increasing guide field. This result is barely visible in 3D simulations. It may be accounted for the specific background magnetic configuration, the pattern of tail-like equilibrium provided by approximated solution of the conventional Grad-Shafranov equation. The configuration demonstrates drastically changing radius of curvature of magnetic field lines, R{sub c}. This, in turn, favors the “double-gradient” mode (λ > R{sub c}) in one part of the sheet and classical “ballooning” instability (λ < R{sub c}) in another part, which may result in generation of a “combined” unstable mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

Lithium isotopic ratios have wide ranging applications as chemical signatures, including improved understanding of geochemical processes and battery development. Measurement of isotope ratios using optical spectroscopies would provide an alternative to traditional mass spectrometric methods, which are expensive and often limited to a chemical laboratory. In this work, Raman spectra of 7 Li 2 CO 3 , 6 Li 2 CO 3 , 7 LiOH*H 2 O and 6 LiOH*H 2 O have been measured to determine the effect of lithium isotope substitution on the Raman molecular vibrations. Thirteen peaks were observed in the spectrum of lithium carbonate, with discernable isotopic shifts occurring in eleven of the thirteen vibrations, two of which have not been previously reported in the literature. The spectrum of lithium hydroxide monohydrate contained nine peaks, with discernable isotopic shifts occurring in eight of the nine vibrations, four of which have not been previously reported in the literature. The Raman spectral data reported here for lithium carbonate and lithium hydroxide monohydrate are in agreement with the previously reported works in the literature, in which the Raman active modes of these molecules were first identified and assigned. However, due to the stability and resolution of the detection system used in this work, isotopic shifts with a magnitude less than one wavenumber have been identified. Principal Component Regression was used to evaluate the sensitivity to isotopic content of small Raman peak shifts in Li 2 CO 3 and indicates differences greater than 2 atom-% could be reliably determined. These measurements add to the body of work on lithium isotope Raman spectroscopy for these two compounds and increases the number of Raman bands which could be used for lithium isotope content analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Coherent phonon pairs and rotational symmetry breaking of charge density wave order in the kagome superconductor CsV 3 Sb 5

Here, in this work we perform ultrafast time-resolved reflectivity measurements to study the symmetry breaking in the charge-density wave (CDW) phase of CsV 3 ⁢Sb 5 . By extracting the coherent phonon spectrum in the CDW phase of CsV 3 ⁢Sb 5 , we discover close phonon pairs near 1.3 THz and 3.1 THz, as well as a new mode at 1.84 THz. The 1.3 THz phonon pair and the 1.84 THz mode are observed up to the CDW transition temperature. Combining density-functional theory calculations, we show that these phonon pairs arise from the coexistence of Star of David and inverse Star of David distortions combined with sixfold rotational symmetry breaking. An anisotropy in the magnitude of transient reflectivity change is also revealed at the onset of CDW order. Our results thus indicate broken sixfold rotational symmetry in the charge-density wave state of CsV 3⁢ Sb 5 , along with the absence of nematic fluctuation above 𝑇 CDW . Meanwhile, the measured coherent phonon spectrum in the CDW phase of CsV 3 ⁢Sb 5−𝑥 ⁢Sn 𝑥 with 𝑥 = 0.03–0.04 matches the staggered inverse Star of David with interlayer 𝜋 phase shift. This CDW structure contrasts with undoped CsV3⁢Sb5 and explains the evolution from a phonon pair to a single mode at 1.3 THz by 𝑥 = 0.03–0.04 Sn doping.

Deng, Qinwen [Univ. of Pennsylvania, Philadelphia,↗
NASA NTRS1987

Active control of flexural vibrations in beams

The feasibility of using piezoelectric actuators to control the flexural oscillations of large structures in space is investigated. Flexural oscillations are excited by impulsive loads. The vibratory response can degrade the pointing accuracy of cameras and antennae, and can cause high stresses at structural node points. Piezoelectric actuators have the advantage of exerting localized bending moments. In this way, vibration is controlled without exciting rigid body modes. The actuators are used in collocated sensor/driver pairs to form a feedback control system. The sensor produces a voltage that is proportional to the dynamic stress at the sensor location, and the driver produces a force that is proportional to the voltage applied to it. The analog control system amplifies and phase shifts the sensor signal to produce the voltage signal that is applied to the driver. The feedback control is demonstrated to increase the first mode damping in a cantilever beam by up to 100 percent, depending on the amplifier gain. The damping efficiency of the control system when the piezoelectrics are not optimally positioned at points of high stress in the beam is evaluated.

Gerhold, Carl H.↗