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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Processes Controlling Water Vapor in the Winter Arctic Stratospheric Middleworld

Water vapor in the winter arctic stratospheric middleworld is import-an: for two reasons: (1) the arctic middleworld is a source of air for the upper Troposphere because of the generally downward motion, and thus its water vapor content helps determine upper tropospheric water, a critical part of the earth's radiation budget; and (2) under appropriate conditions, relative humidities will be large, even to the point of stratospheric cirrus cloud formation, leading to the production of active chlorine species that could destroy ozone. On a number of occasions during SOLVE, clouds were observed in the stratospheric middleworld by the DC-8 aircraft. These tended to coincide with regions of low temperatures, though some cases suggest water vapor enhancements due to troposphere-to-stratosphere transport. The goal of this work is to understand the importance of processes in and at the edge of the arctic stratospheric middleworld in determining water vapor at these levels. Specifically, is water vapor at these levels determined largely by the descent of air from above, or are clouds both within and at the edge of the stratospheric middleworld potentially important? How important is troposphere-to-stratosphere transport of air in determining stratospheric middleworld water vapor content? To this end, we will first examine the minimum saturation mixing ratios along theta/EPV tubes during the SOLVE winter and compare these with DC-8 water vapor observations. This will be a rough indicator of how high relative humidities can get, and the likelihood of cirrus cloud formation in various parts of the stratospheric middleworld. We will then examine saturation mixing ratios along both diabatic and adiabatic trajectories, comparing these values with actual aircraft water vapor observations, both in situ and remote. Finally, we will attempt to actually predict water vapor using minimum saturation mixing ratios along trajectories, cloud injection (derived from satellite imagery) along trajectories, and suitable initial conditions.

Pfister, Leonhard↗
DOE OSTI2020

Superconductivity in dilute SrTiO 3 : A review

Doped SrTiO 3 , one of the most dilute bulk systems to display superconductivity, is perhaps the first example of an unconventional superconductor, as it does not fit into the standard BCS paradigm. More than five decades of research has revealed a rich temperature-carrier concentration phase diagram that showcases a superconducting dome, proximity to a putative quantum critical point, Lifshitz transitions, a multi-gap pairing state and unusual normal-state transport properties. Research has also extended beyond bulk SrTiO 3 , ushering the new field of SrTiO 3 -based heterostructures. Because many of these themes are also featured in other quantum materials of contemporary interest, recent years have seen renewed interest in SrTiO 3 . Here, we review the challenges and recent progress in elucidating the superconducting state of this model system. At the same time that its extreme dilution requires to revisit several of the approximations that constitute the successful Migdal–Eliashberg description of electron–phonon superconductivity, including the suppression of the Coulomb repulsion via the Tolmachev–Anderson–Morel mechanism, it opens interesting routes for alternative pairing mechanisms whose applicability remains under debate. For instance, pairing mechanisms involving longitudinal optical phonons have to overcome the hurdles created by the anti-adiabatic nature of the pairing interaction, whereas mechanisms that rely on the soft transverse optical phonons associated with incipient ferroelectricity face challenges related to the nature of the electron–phonon coupling. Proposals in which pairing is mediated by plasmons or promoted locally by defects are also discussed. In conclusion, we finish by surveying the existing evidence for multi-band superconductivity and outlining promising directions that can potentially shed new light on the rich problem of superconductivity in SrTiO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

MHD simulation on magnetic compression of field reversed configurations with NIMROD

Abstract Magnetic compression has long been proposed a promising method for plasma heating in a field reversed configuration (FRC). However, it remains a challenge to fully understand the physical mechanisms underlying the compression process, due to its highly dynamic nature beyond the one-dimensional (1D) adiabatic theory model (Spencer et al 1983 Phys. Fluids 26 1564). In this work, magnetohydrodynamics simulations on the magnetic compression of FRCs using the NIMROD code (Sovinec et al 2004 J. Comput. Phys. 195 355) and their comparisons with the 1D theory have been performed. The effects of the assumptions of the theory on the compression process have been explored, and the detailed profiles of the FRC during compression have been investigated. The pressure evolution agrees with the theoretical prediction under various initial conditions. The axial contraction of the FRC can be affected by the initial density profile and the ramping rate of the compression magnetic field, but the theoretical predictions on the FRC’s length in general and the relation r s = 2 r o in particular hold approximately well during the whole compression process, where r s is the major radius of FRC separatrix and r o is that of the magnetic axis. The evolutions of the density and temperature can be affected significantly by the initial equilibrium profile and the ramping rate of the compression magnetic field. During the compression, the major radius of the FRC is another parameter that is susceptible to the ramping rate of the compression field. Basically, for the same magnetic compression ratio, the peak density is higher and the FRC’s radius r s is smaller than the theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Design of a 3-Stage ADR for the Soft X-Ray Spectrometer Instrument on the Astro-H Mission

The Japanese Astro-H mission will include the Soft X-ray Spectrometer (SXS) instrument, whose 36-pixel detector array of ultra-sensitive x-ray microcalorimeters requires cooling to 50 mK. This will be accomplished using a 3-stage adiabatic demagnetization refrigerator (ADR). The design is dictated by the need to operate with full redundancy with both a superfluid helium dewar at 1.3 K or below, and with a 4.5 K Joule-Thomson (JT) cooler. The ADR is configured as a 2-stage unit that is located in a well in the helium tank, and a third stage that is mounted to the top of the helium tank. The third stage is directly connected through two heat switches to the JT cooler and the helium tank, and manages heat flow between the two. When liquid helium is present, the 2-stage ADR operates in a single-shot manner using the superfluid helium as a heat sink. The third stage may be used independently to reduce the time-average heat load on the liquid to extend its lifetime. When the liquid is depleted, the 2nd and 3rd stages operate as a continuous ADR to maintain the helium tank at as low a temperature as possible - expected to be 1.2 K - and the 1st stage cools from that temperature as a single-stage, single-shot ADR. The ADR s design and operating modes are discussed, along with test results of the prototype 3-stage ADR.

Shirron, Peter J.↗
DOE OSTI2020

Electron transfer in nonpolar media

The Marcus theory of electron transfer views fluctuating orientations of permanent dipoles as the nuclear mode bringing the donor and acceptor into the tunneling resonance. Electronic polarization of the solvent is excluded as the fast mode adiabatically following the electronic density. This view, valid for solids, does not apply to molecular liquids where molecular translations (density fluctuations) modulate the induction interaction of the donor-acceptor complex with the solvent. This mechanism of promoting radiation-less electronic transitions is considered here in the framework of the perturbation liquid-state theory. The reorganization energy of electron transfer in nonpolar solvents is nonzero and reaches the values of 0.1–0.3 eV for typical molecular sizes and solvents used in applications. The reorganization energy scales quadratically with the molecular polarizability of the solvent and decays as the inverse fifth power with the size of the donor and acceptor. The combination of the entropic character of the density fluctuations, driven by re-packing of molecular cores, with the short range of induction solute–solvent interactions leads to the violation of the fluctuation–dissipation theorem for the variance of the donor-acceptor energy gap. An explicit, approximately hyperbolic, dependence of the reorganization energy on temperature is predicted. It leads to a non-Arrhenius kinetic law for the rate constant of electron transfer in nonpolar liquid solvents.

14 SOLAR ENERGY↗
DOE OSTI2023

Symmetric Kondo Lattice States in Doped Strained Twisted Bilayer Graphene

We use the topological heavy fermion (THF) model and its Kondo lattice (KL) formulation to study the possibility of a symmetric Kondo (SK) state in twisted bilayer graphene. Via a large-N approximation, we find a SK state in the KL model at fillings v = 0,±1,±2 where a KL model can be constructed. In the SK state, all symmetries are preserved and the local moments are Kondo screened by the conduction electrons. At the mean-field level of the THF model at v = 0,±1,±2,±3 we also find a similar symmetric state that is adiabatically connected to the symmetric Kondo state. We study the stability of the symmetric state by comparing its energy with the ordered (symmetry-breaking) states found in [H. Hu et al., Phys. Rev. Lett. 131, 026502 (2023)., Z.-D. Song and B. A. Bernevig, Phys. Rev. Lett. 129, 047601 (2022).] and find the ordered states to have lower energy at v = 0,±1,±2. However, moving away from integer fillings by doping the light bands, our mean-field calculations find the energy difference between the ordered state and the symmetric state to be reduced, which suggests the loss of ordering and a tendency toward Kondo screening. In order to include many-body effects beyond the mean-field approximation, we also performed dynamical mean-field theory calculations on the THF model in the nonordered phase. The spin susceptibility follows a Curie behavior at v = 0,±1,±2 down to ~2 K where the onset of screening of the local moment becomes visible. This hints to very low Kondo temperatures at these fillings, in agreement with the outcome of our mean-field calculations. At noninteger filling v = ±0.5,±0.8,±1.2 dynamical mean-field theory shows deviations from a 1/T susceptibility at much higher temperatures, suggesting a more effective screening of local moments with doping. Lastly, we study the effect of a C 3⁢z -rotational-symmetry-breaking strain via mean-field approaches and find that a symmetric phase (that only breaks C 3⁢z symmetry) can be stabilized at sufficiently large strain at v = 0,±1,±2. Our results suggest that a symmetric Kondo phase is strongly suppressed at integer fillings, but could be stabilized either at noninteger fillings or by applying strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Why convective heat transport in the solar nebula was inefficient

The radial distributions of the effective temperatures of circumstellar disks associated with pre-main sequence (T Tauri) stars are relatively well-constrained by ground-based and spacecraft infrared photometry and radio continuum observations. If the mechanisms by which energy is transported vertically in the disks are understood, these data can be used to constrain models of the thermal structure and evolution of solar nebula. Several studies of the evolution of the solar nebula have included the calculation of the vertical transport of heat by convection. Such calculations rely on a mixing length theory of transport and some assumption regarding the vertical distribution of internal dissipation. In all cases, the results of these calculations indicate that transport by radiation dominates that by convection, even when the nebula is convectively unstable. A simple argument that demonstrates the generality (and limits) of this result, regardless of the details of mixing length theory or the precise distribution of internal heating is presented. It is based on the idea that the radiative gradient in an optically thick nebula generally does not greatly exceed the adiabatic gradient.

Cassen, P.↗
NASA NTRS1994

Influence of ocean surface conditions on atmospheric vertical thermodynamic structure and deep convection

The authors analyze the influence of Sea Surface Temperature (SST) and surface wind divergence on atmospheric thermodynamic structure and the resulting effects on the occurrence of deep convection using National Meteorological Center radiosonde data and International Satellite Cloud Climatology Program data for July 1983-July 1985. The onset of deep convection requires not only the existence of positive convective available potential energy (CAPE), but also an unstable planetary boundary layer (PBL). A stable PBL is observed to suppress deep convection even when CAPE is positive. Variations of SST have a major effect on CAPE, but surface wind divergence can also affect deep convection by changing the lapse rate in the lower troposphere and humidity in the PBL. Specifically, when SST is greater than or equal to 28 C, CAPE is always positive, and surface wind divergence does not qualitatively change the buoyancy profile above the PBL. Strong surface wind divergence, however, stabilizes the PBL so as to suppress the initiation of deep convection. In warm SST regions, CAPE is greater than 0 regardless of assumptions about condensate loading, although the pseudoadiabatic limit is more consistent with the observed deep convection than the reversible moist-adiabatic limit under these circumstances. When SST is less than 27 C, CAPE is usually negative and inhibits convection, but strong surface wind convergence can destabilize the inversion layer and moisten the PBL enough to make the atmosphere neutrally stable in the mean. As a result, deep convection is generally enhanced either when SST is greater than or equal to 28 C in the absence of strong surface wind divergence or when strong surface wind convergence occurs even if SST is less than 27 C. The anomalous suppression of deep convection in the warm area of the equatorial west Pacific lying between the intertropical convergence zone (ITCZ) and south Pacific convergence zone (SPCZ) is probably caused by dryness in the PBL and an inversion in that area. The seasonal cycles of deep convection and surface wind divergence are in phase with the maximum solar radiation and lead SST for one to three months in the central Pacific. The change of PBL relative humidity plays a critical role in the changeover to convective instability in this case. The seasonal change of deep convection and associated clouds seems not to have important effects on the seasonal change of local SST in the central Pacific.

Fu, Rong↗
NASA NTRS1997

Large-Scale Impact Cratering and Early Earth Evolution

The surface of the Moon attests to the importance of large-scale impact in its early crustal evolution. Previous models of the effects of a massive bombardment on terrestrial crustal evolution have relied on analogies with the Moon, with allowances for the presence of water and a thinner lithosphere. It is now apparent that strict lunar-terrestrial analogies are incorrect because of the "differential scaling" of crater dimensions and melt volumes with event size and planetary gravity. Impact melt volumes and "ancient cavity dimensions for specific impacts were modeled according to previous procedures. In the terrestrial case, the melt volume (V(sub m)) exceeds that of the transient cavity (V(sub tc)) at diameters > or = 400 km. This condition is reached on the Moon only with transient cavity diameters > or = 3000 km, equivalent to whole Moon melting. The melt volumes in these large impact events are minimum estimates, since, at these sizes, the higher temperature of the target rocks at depth will increase melt production. Using the modification-scaling relation of Croft, a transient cavity diameter of about 400 km in the terrestrial environment corresponds to an expected final impact "basin" diameter of about 900 km. Such a "basin" would be comparable in dimensions to the lunar basin Orientale. This 900-km "basin" on the early Earth, however, would not have had the appearance of Orientale. It would have been essentially a melt pool, and, morphologically, would have had more in common with the palimpsests structures on Callisto and Ganymede. With the terrestrial equivalents to the large multiring basins of the Moon being manifested as muted palimpsest-like structures filled with impact melt, it is unlikely they played a role in establishing the freeboard on the early Earth. The composition of the massive impact melt sheets (> 10 (exp 7) cu km) produced in "basin-forming" events on the early Earth would have most likely ranged from basaltic to more mafic for the largest impacts, where the melt volume would have reached well into the mantle. Any contribution from adiabatic melting or shock heating of the asthenosphere would have had similar mafic compositions. The depth of the melt sheets is unknown but would have been in the multilkilometer range. Bodies of basaltic melt > or = 300 m thick differentiate in the terrestrial environment, with the degree of differentiation being a function of the thickness of the body. We therefore expect that these thick, closed-system melt pools would have differentiated into an ultramafic-mafic base and felsic top. If only 10% of the impact melt produced in a single event creating a 400-km diameter transient cavity evolved into felsic differentiates, they would be comparable in volume to the Columbia River basalts. It has been estimated that at least 200 impact events of this size or larger occurred on the early Earth during a period of heavy bombardment. We speculate that these massive differentiated melt sheets may have had a role in the formation of the initial felsic component of the Earth's crust. Additional information is contained in the original.

Grieve, R. A. F.↗
NASA NTRS2000

Sensing Clouds via Spacecraft Radio Occultation Observations

The presence of clouds dramatically alters the opacity and radiative transfer within Earth's atmosphere at both short and long wavelengths. Knowledge of cloud top and base is needed to estimate the Outgoing Long wave Radiation (OLR) to space and the net radiation at the surface from a given atmospheric profile. Satellite observations are required to provide the global perspective needed for climate. Cloud top pressure can be determined to some accuracy from spaceborne radiance measurements when cloud opacities are sufficiently large and cloud top temperatures are sufficiently low to readily them from the surface. Cloud base is particularly difficult to determine from space. The relatively small sensitivity of long wavelengths must be used to penetrate the clouds while at the same time providing sufficient sensitivity to detect the cloud base. We are studying the indirect sensitivity of radio occultation observations to clouds through their impact on the refractivity structure. The tradewind inversion is an excellent example where a very sharp refractivity structure coincides with the top of the tradewind cumulus and stratus clouds. In general, any cloud with sufficient IR opacity will have large transmissivity gradient at cloud top (base) which will result in large cooling (heating) which will create a thermal inversion at cloud top (base). Both liquid and ice clouds can reach this critical opacity. The thermal inversion and sharp change in specific humidity will cause a sharp change in the refractivity gradient which can be identified in the radio occultation results, particularly the signal amplitude. The occultations yield very accurate information on the height of such features. The heating at cloud base drives convection causing the air to follow a moist adiabat within the Cloud which further helps constrain the interpretation of the observations. The upward expansion of such opaque clouds due to convection may be an important mechanism supplying moisture into the upper troposphere. We will present simulations using high resolution radiosondes from field campaigns representing the expected signatures of such features. We will also present initial results of comparisons between GPS observations and GOES-derived cloud tops to assess the utility of this concept.

Kursinski, E. R.↗
DOE OSTI2021

Supersaturation, buoyancy, and deep convection dynamics

Motivated by recent discussions concerning differences of convective dynamics in polluted and pristine environments, the so-called convective invigoration in particular, this paper provides an analysis of factors affecting convective updraft buoyancy, such as the in-cloud supersaturation, condensate and precipitation loading, and entrainment. We use the deep convective period from simulations of daytime convection development over land discussed in our previous publications. An entraining parcel framework is used in the theoretical analysis. We show that for the specific case considered here, finite (positive) supersaturation noticeably reduces pseudo-adiabatic parcel buoyancy and cumulative convective available potential energy (cCAPE) in the lower troposphere. This comes from keeping a small fraction of the water vapor in a supersaturated state and thus reducing the latent heating. Such a lower-tropospheric impact is comparable to the effects of condensate loading and entrainment in the idealized parcel framework. For the entire tropospheric depth, loading and entrainment have a much more significant impact on the total CAPE. For the cloud model results, we compare ensemble simulations applying either a bulk microphysics scheme with saturation adjustment or a more comprehensive double-moment scheme with supersaturation prediction. We compare deep convective updraft velocities, buoyancies, and supersaturations from all ensembles. In agreement with the parcel analysis, the saturation-adjustment scheme provides noticeably stronger updrafts in the lower troposphere. For the simulations predicting supersaturation, there are small differences between pristine and polluted conditions below the freezing level that are difficult to explain by standard analysis of the in-cloud buoyancy components. By applying the piggybacking technique, we show that the lower-tropospheric buoyancy differences between pristine and polluted simulations come from a combination of temperature (i.e., latent heating) and condensate loading differences that work together to make polluted buoyancies and updraft velocities slightly larger when compared to their pristine analogues. Overall, the effects are rather small and contradict previous claims of a significant invigoration of deep convection in polluted environments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

The environments experienced by vehicles upon entry into planetary atmospheres generally result in severe aerothermodynamic loading. These flows are characterized by the formation of strong shock waves, behind which high temperatures and non-equilibrium environments are generated, and the accurate prediction of internal energy relaxation and chemical kinetics becomes important. This manuscript focuses on the internal relaxation of the rotational energy of polyatomic molecules. Previous work has described the implementation of a discrete rotational energy model for diatomic molecules (linear rotators). Later, Gimelshein et. al extended this model to include polyatomic molecular internal energies. However, they did not include details on how to generate the particles at equilibrium conditions and centrifugal distortion was not included in their model. The purpose of the present study is to extend the afore-mentioned models to the treatment of discrete rotational energy in polyatomic molecules with the addition of centrifugal distortion. An overview of the background theory needed for the implementation of the model will be given followed by the model itself and verification of the model. For example, sampled versus Boltzmann distributions are compared in Figure 1 for CH3 (oblate rotator – two quantum numbers) and examples of thermal relaxation behavior for linear and non-linear rotators are presented in Figure 2. In addition, comparisons of thermophysical properties will be presented, as well as examples of adiabatic relaxation and application to hypersonic flow.

Rarefied Gas Dynamics↗
NASA NTRS2012

Reliable Optical Pump Architecture for Highly Coherent Lasers Used in Space Metrology Applications

The design and initial demonstration of a laser pump module (LPM) incorporating single-mode, grating-stabilized 808-nm diode lasers and a low-loss, high-port-count optical combiner are completed. The purpose of the developed LPM is to reliably pump an Nd:YAG crystal in the laser head (LH), which serves as the optical metrology source for SIMLite mission. Using the narrow-linewidth, single-mode laser diodes enables placement of the pump power near Nd adsorption peak, which enhances pumping efficiency. Grating stabilization allows for stable pump spectra as diode operating temperature and bias current change. The low-loss, high-port-count optical combiner enables efficient combining of tens of pumps. Overall, the module supports 5+ years of continuous operation at 2 W of pump power with reliability approaching 100 percent. The LPM consists of a laser diode farm (LDF) and a pump beam combiner (PBC). An array of 807- to 808-nm fiber-pigtailed laser diodes makes up the LDF. A Bragg grating in each 5- m core single-mode (SM) fiber pigtail acts to stabilize the lasing spectra over a range of diode operating conditions. These commercially available single-mode laser diodes can deliver up to 150 mW of optical power. The outputs from the multiple pumps in the LDF are routed to the PBC, which is a 37-input by 1-output all-fiber device. The input ports consist of 5- m core SM fiber, while the output port consists of 105- m core, 0.15 NA (numerical aperture) multi-mode (MM) fiber. The combiner is fabricated by fusing the 37 input fibers while simultaneously tapering the fused region. At the completion of this process, the MM fiber is spliced to the end of the adiabatic taper, and, for protection, the combiner is sheathed by a capillary tube. A compact and robust metal housing was designed and fabricated to protect the PBC during space deployment.

Erlig, Herman↗
NASA NTRSDate not supplied

Expanding the Time Dimension of Hyperspectral Infrared Sounding Observations: Designing the NUCAPS-Forecast System

Low Earth orbit (LEO) hyper-spectral infrared (IR) sounders have significant yet untapped potential for characterizing thermodynamic environments of convective initiation and ongoing convection. While LEO soundings are of enormous value to weather forecasters, they cannot provide the temporal resolution needed to resolve the rapidly evolving thermodynamics of the convective environment. A novel methodology was developed to extend snapshots of LEO soundings forward in time up to six hours into the future and has been made available within the NOAA National Weather Service Advanced Weather Interactive Processing System (AWIPS) for testing in a quasi-operational setting. This methodology is based on parcel forward-trajectory calculations from the satellite observing time to recreate future soundings of temperature and moisture at regularly gridded intervals in space and time. The soundings are based on NOAA-Unique Combined Atmospheric Processing System (NUCAPS) retrievals from the Suomi NPP and NOAA-20 satellite platforms to allow for rapid near-real time product processing. Science code was transitioned to operational production in 2019 and the product, NUCAPS-Forecast, was tested at the NOAA Hazardous Weather Testbed Spring Experiment in 2019 and 2021. Forecaster feedback has led to improving the product and processing system to address product limitations and improve its applicability for pre-convective forecasting. This presentation highlights the design of the NUCAPS-Forecast system. Solutions were tested and implemented to remove excess moisture and conjoin forward-trajected parcels into vertical profiles for calculating grids of stability indices. Additionally, use cases that explore the tendencies of derived convective available potential energy (CAPE) and convective inhibition (CIN) were investigated. When evaluated against gridded, hourly accumulated rainfall obtained from the Multi-Radar Multi-Sensor (MRMS) observational data set areas with elevated CAPE (reduced CIN) are shown to be associated with areas of precipitation and increase confidence the LEO soundings advected forward in time physically represent atmospheric processes. These results suggest that adiabatic parcel advection of LEO satellite sounding snapshots forward in time exhibits skill in discriminating locations and times that are more likely to lead to convective initiation. Leveraging trajectory modeling to increase the spatial and temporal resolution of LEO IR sounding observations today demonstrates the value of these observations from the future constellation of JPSS satellites and GeoXO mission.

weather↗
NASA NTRS2010

Five-Year Wilkinson Microwave Anisotropy Probe Observations: Data Processing, Sky Maps, and Basic Results

We present new full-sky temperature and polarization maps in five frequency bands from 23 to 94 GHz, based on data from the first five years of the Wilkinson Microwave Anisotropy Probe (WMAP) sky survey. The new maps are consistent with previous maps and are more sensitive. The five-year maps incorporate several improvements in data processing made possible by the additional years of data and by a more complete analysis of the instrument calibration and in-flight beam response. We present several new tests for systematic errors in the polarization data and conclude that W-band polarization data is not yet suitable for cosmological studies, but we suggest directions for further study. We do find that Ka-band data is suitable for use; in conjunction with the additional years of data, the addition of Ka band to the previously used Q- and V-band channels significantly reduces the uncertainty in the optical depth parameter, tau. Further scientific results from the five-year data analysis are presented in six companion papers and are summarized in Section 7 of this paper. With the five-year WMAP data, we detect no convincing deviations from the minimal six-parameter ACDM model: a flat universe dominated by a cosmological constant, with adiabatic and nearly scale-invariant Gaussian fluctuations. Using WMAP data combined with measurements of Type Ia supernovae and Baryon Acoustic Oscillations in the galaxy distribution, we find (68% CL uncertainties): OMEGA(sub b)h(sup 2) = 0.02267(sup +0.00058)(sub -0.00059), OMEGA(sub c)h(sup 2) = 0.1131 plus or minus 0.0034, OMEGA(sub logical and) = 0.726 plus or minus 0.015, ns = .960 plus or minus 0.013, tau = 0.84 plus or minus 0.016, and DELTA(sup 2)(sub R) = (22.445 plus or minus 0.096) x 10(exp -9) at k = 0.002 Mpc(exp -1). From these we derive sigma(sub 8) = 0.812 plus or minus 0.026, H(sub 0) = 70.5 plus or minus 1.3 kilometers per second Mpc(exp -1), OMEGA(sub b) = 0.0456 plus or minus 0.0015, OMEGA(sub c) = .228 plus or minus 0.013, OMEGA(sub m)h(sup 2) = 0.1358(sup +0.0037)(sub -0.0036), z reion = 10.9 plus or minus 1.4, and t(sub 0) = 13.72 plus or minus 0.12 Gyr. The new limit on the tensor-to-scalar ration is r less than 0.22 (95% CL), while the evidence for a running spectral index is insignificant, dn(sub s)/d ln k = -0.028 plus or minus 0.020 (68% CL). We obtain tight, simultaneous limits on the (constant) dark energy equation of state and the spatial curvature of the universe: -0.14 less than 1 + w less than 0.12 (95% CL) and -0.0179 less than OMEGA(sub k) less than 0.0081 (95% CL). The number of relativistic degrees of freedom, expressed in units of the effective number of neutrino species, is found to be N(sub eff) = 4.4 plus or minus 1.5 (69% CL), consistent with the standard value of 3.04. Models with N(sub eff) = 0 are disfavored at greater than 99% confidence. Finally, new limits on physically motivated primordial non-Gaussianity parameters are -9 less than f(sup local)(sub NL) less than 111 (95% CL) and -151 less than f(sup equal)(sub NL) less than 253 (95% CL) for the local and equilateral models, respectively.

Hinshaw, G.↗
DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1994

Chondrule formation in the radiative accretional shock

The physical, mineralogical, and isotopic properties of chondrules strongly indicate that they were formed by the rapid melting and resolidification of preexisting solids composed of primitive material. The chondrule precursors were heated to temperatures of about 1800 K in short high-temperature events, followed by cooling with a rate of 10(exp 2)-10(exp 3) K/hr. A heat input of about 1500 J/g is required to heat chondrule precursors to such a temperature and melt them. Lightning discharges and flares in the solar nebula, and heating of the chondrule precursors by friction with gas decelerated in the accretional shock or in a shock (of unspecified origin) within the solar nebula, have been discussed as possible mechanisms for chondrule formation. One advantage of chondrule formation in large-scale shocks is that a lot of dust material can be processed. An accretional shock, which is produced by infalling gas of the presolar cloud when it collides with the solar nebula, belongs to this type of shock. In 1984 Wood considered the possibility of chondrule formation in the accretional shock by heating of chondrule precursors by gas drag. He concluded that the density in the accreting material is much lower than needed to melt silicates at the distance of the asteroid belt if the accreting matter had the cosmic ratio of dust to gas, and the mass of the solar nebula did not exceed 2 solar mass units. Melting of chondrule precursors is difficult because of their effective cooling by thermal radiation. Suppression of the radiative cooling of individual grains in dust swarms, which are opaque to thermal emission, was considered to be the only possible means of chondrule formation in solar nebula shocks. Previous models of solid grain melting in solar nebula shocks have neglected gas cooling behind the shock front, i.e., they considered adiabatic shocks. In this paper we show that large dust grains could be heated much stronger than was supposed by these authors, because of effects associated with the gas cooling.

Ruzmaikina, T. V.↗