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At least 397 records · Page 22

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NASA NTRS2018

ALMA Spectral Line and Imaging Survey of a Low and a High Mass-Loss Rate AGB Star Between 335 and 362 GHz

Context. Low and intermediate mass stars are known to power strong stellar winds when evolving through the asymptotic giant branch (AGB) phase. Initial mass, luminosity, temperature, and composition determine the pulsation characteristics of the star and the dust species formed in the pulsating photospheric layers. Radiation pressure on these grains triggers the onset of a stellar wind. However, as of today, we still cannot predict the wind mass-loss rates and wind velocities from first principles neither do we know which species are the first to condense in the upper atmospheric regions. Aims. We aim to characterise the dominant physical, dynamical, and chemical processes in the inner wind region of two archetypical oxygen-rich (C/O < 1) AGB stars, that is, the low mass-loss rate AGB star R Dor (M’ ∼ 1 × 10(exp −7) M/yr) and the high mass-loss rate AGB star IK Tau (M’ ∼ 5 × 10(exp −6) M/yr). The purpose of this study is to observe the key molecular species contributing to the formation of dust grains and to cross-link the observed line brightnesses of several species to the global and local properties of the star and its wind. Methods. A spectral line and imaging survey of IK Tau and R Dor was made with ALMA between 335 and 362 GHz (band 7) at a spatial resolution of ∼150 mas, which corresponds to the locus of the main dust formation region of both targets. Results. Some two hundred spectral features from 15 molecules (and their isotopologues) were observed, including rotational lines in both the ground and vibrationally excited states (up to v = 5 for SiO). Detected species include the gaseous precursors of dust grains such as SiO, AlO, AlOH, TiO, and TiO2. We present a spectral atlas for both stars and the parameters of all detected spectral features. A clear dichotomy for the sulphur chemistry is seen: while CS, SiS, SO, and SO2 are abundantly present in IK Tau, only SO and SO2 are detected in R Dor. Also other species such as NaCl, NS, AlO, and AlOH display a completely different behaviour. From some selected species, the minor isotopologues can be used to assess the isotopic ratios. The channel maps of many species prove that both large and small-scale inhomogeneities persist in the inner wind of both stars in the form of blobs, arcs, and/or a disk. The high sensitivity of ALMA allows us to spot the impact of these correlated density structures in the spectral line profiles. The spectral lines often display a half width at zero intensity much larger than expected from the terminal velocity, v∞, previously derived for both objects (36 km/s versus v(∞) ∼ 17.7 km/s for IK Tau and 23 km/s versus v(∞) ∼ 5.5 km/s for R Dor). Both a more complex 3D morphology and a more forceful wind acceleration of the (underlying) isotropic wind can explain this trend. The formation of fractal grains in the region beyond ∼400 mas can potentially account for the latter scenario. From the continuum map, we deduce a dust mass of ∼3.7 × 10(exp −7) Mand ∼2 × 10(exp −8) M for IK Tau and R Dor, respectively. Conclusions. The observations presented here provide important constraints on the properties of these two oxygen-dominated AGB stellar winds. In particular, the ALMA data prove that both the dynamical and chemical properties are vastly different for this high mass-loss rate (IK Tau) and low mass-loss rate (R Dor) star.

L. Decin↗

NASA NTRS1976

Study of the extra-ionic electron distributions in semi-metallic structures by nuclear quadrupole resonance techniques

A straightforward self-consistent method was developed to estimate solid state electrostatic potentials, fields and field gradients in ionic solids. The method is a direct practical application of basic electrostatics to solid state and also helps in the understanding of the principles of crystal structure. The necessary mathematical equations, derived from first principles, were presented and the systematic computational procedure developed to arrive at the solid state electrostatic field gradients values was given.

Murty, A. N.↗

NASA NTRS1997

The Effects of Magnetic Nozzle Configurations on Plasma Thrusters

Over the course of eight years, the Ohio State University has performed research in support of electric propulsion development efforts at the NASA Lewis Research Center, Cleveland, OH. This research has been largely devoted to plasma propulsion systems including MagnetoPlasmaDynamic (MPD) thrusters with externally-applied, solenoidal magnetic fields, hollow cathodes, and Pulsed Plasma Microthrusters (PPT's). Both experimental and theoretical work has been performed, as documented in four master's theses, two doctoral dissertations, and numerous technical papers. The present document is the final report for the grant period 5 December 1987 to 31 December 1995, and summarizes all activities. Detailed discussions of each area of activity are provided in appendices: Appendix 1 - Experimental studies of magnetic nozzle effects on plasma thrusters; Appendix 2 - Numerical modeling of applied-field MPD thrusters; Appendix 3 - Theoretical and experimental studies of hollow cathodes; and Appendix 4 -Theoretical, numerical and experimental studies of pulsed plasma thrusters. Especially notable results include the efficacy of using a solenoidal magnetic field downstream of a plasma thruster to collimate the exhaust flow, the development of a new understanding of applied-field MPD thrusters (based on experimentally-validated results from state-of-the art, numerical simulation) leading to predictions of improved performance, an experimentally-validated, first-principles model for orificed, hollow-cathode behavior, and the first time-dependent, two-dimensional calculations of ablation-fed, pulsed plasma thrusters.

Turchi, P. J.↗

NASA NTRS2012

Prediction of Liquid Slosh Damping Using a High Resolution CFD Tool

Propellant slosh is a potential source of disturbance critical to the stability of space vehicles. The slosh dynamics are typically represented by a mechanical model of a spring mass damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control analysis. Our previous effort has demonstrated the soundness of a CFD approach in modeling the detailed fluid dynamics of tank slosh and the excellent accuracy in extracting mechanical properties (slosh natural frequency, slosh mass, and slosh mass center coordinates). For a practical partially-filled smooth wall propellant tank with a diameter of 1 meter, the damping ratio is as low as 0.0005 (or 0.05%). To accurately predict this very low damping value is a challenge for any CFD tool, as one must resolve a thin boundary layer near the wall and must minimize numerical damping. This work extends our previous effort to extract this challenging parameter from first principles: slosh damping for smooth wall and for ring baffle. First the experimental data correlated into the industry standard for smooth wall were used as the baseline validation. It is demonstrated that with proper grid resolution, CFD can indeed accurately predict low damping values from smooth walls for different tank sizes. The damping due to ring baffles at different depths from the free surface and for different sizes of tank was then simulated, and fairly good agreement with experimental correlation was observed. The study demonstrates that CFD technology can be applied to the design of future propellant tanks with complex configurations and with smooth walls or multiple baffles, where previous experimental data is not available.

Yang, H. Q.↗

NASA NTRS2019

Risk Analysis Associated with Loss of Toxic Gases During Orion Landing and Recovery Operations

Mission, landing and recovery operations for the Orion crew module involve reentry into the Earth's atmosphere and the deployment of three Nomex parachutes to slow the descent before landing along the west coast of the United States. Orion may have residual fuel (hydrazine, N2H4) or coolant (ammonia, NH3) on board which are both highly toxic to crew in the event of exposure. These risks were evaluated using a first principles analysis approach through fluid dynamics modeling. Plume calculations were first performed with the ANSYS Fluent computational fluid dynamics code. Data were then extracted at locations relevant to crew safety such as the snorkel fan inlet and the egress hatch. Mixing calculations were performed to quantify exposure concentrations within the crew bay before and during egress and departure. Finally, results included herein were used to inform the Orion post-landing Concept of Operations (ConOps) so that strategies could be formulated to maintain crew safety in the event of the loss of fuel or coolant.

Orion↗

DOE OSTI2025

Particle-in-cell simulations of expanding high energy density plasmas with laser ray tracing

The design and analysis of high energy density (HED) laser experiments typically rely on radiation hydrodynamics simulations. However, some laser–plasma interaction regimes are not collisional and cannot be adequately modeled with hydrodynamics. For example, strongly driven magnetic reconnection and magnetized collisionless shock experiments possess extended hydrodynamic or even kinetic properties, necessitating first-principles kinetic simulations. In this paper, we present the benchmarking and first results obtained with a laser-ray-tracing and inverse bremsstrahlung absorption module implemented in the particle-in-cell code PSC. The simulation results are compared to radiation hydrodynamic simulations using the FLASH code as well as analytical estimates. We successfully benchmark the energy deposition model and overall hydrodynamic evolution of the systems. We also consider possible kinetic effects that may be expected from laser-target ablation in the HED regime, including non-local transport and two-temperature effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2013

Using Outcrop Exposures on the Road to Yellowknife Bay to Build a Stratigraphic Column, Gale Crater, Mars

Since landing in Gale Crater on August 5, 2012, the Curiosity rover has driven 450 m east, descending approximately 15 m in elevation from the Bradbury landing site to Yellowknife Bay. Outcrop exposure along this drive has been discontinuous, but isolated outcrops may represent windows into underlying inplace stratigraphy. This study presents an inventory of outcrops targeted by Curiosity (Figs. 1-2), grouped by lithological properties observed in Mastcam and Navcam imagery. Outcrop locations are placed in a stratigraphic context using orbital imagery and first principles of stratigraphy. The stratigraphic models presented here represent an essential first step in understanding the relative age relationships of lithological units encountered at the Curiosity landing site. Such observations will provide crucial context for assessing habitability potential of ancient Gale crater environments and organic matter preservation.

stratigraphic column↗

DOE OSTI2025

Two-Dimensional Ferroelectric Altermagnets: From Model to Material Realization

Multiferroic altermagnets offer new opportunities for magnetoelectric coupling and electrically tunable spintronics. However, due to intrinsic symmetry conflicts between altermagnetism and ferroelectricity, achieving their coexistence, known as ferroelectric altermagnets (FEAM), remains an outstanding challenge, especially in two-dimensional (2D) systems. Here, we propose a universal, symmetry-based design principle for 2D FEAM, supported by tight-binding models and first-principles calculations. We show that lattice distortions can break spin equivalence and introduce the necessary rotation-related symmetry, enabling altermagnetism with electrically reversible spin splitting. Guided by this framework, we identify a family of 2D vanadium oxyhalides and sulfide halides as promising FEAM candidates. In these compounds, pseudo Jahn-Teller distortions and Peierls-like dimerization cooperatively establish the required symmetry conditions. Here, we further propose the magneto-optical Kerr effect as an experimental probe to confirm FEAM and its electric spin reversal. Furthermore, our findings provide a practical framework for 2D FEAM and advancing electrically controlled spintronic devices.

2D materials↗

DOE OSTI2025

Symmetry progression and band vs Mott character of CdPS 3 under pressure

Complex chalcogenides are renowned for their tunable electronic, magnetic, and optical properties under external stimuli. The MPX 3 family (M = Mn, Ni, Co, V; X = S, Se) is a platform for many exciting discoveries—especially under compression—although CdPS3 is thought to be different because the Cd center possesses a filled 4d shell, which precludes Mottness. Here, we combine synchrotron-based infrared absorbance and Raman scattering spectroscopies with diamond anvil cell techniques, complementary lattice dynamics calculations, and an analysis of the energy landscape to reveal a series of structural phase transitions in CdPS 3 . We find four distinct pressure-driven transitions, with low frequency modes detectable over the full 35 GPa range of our investigation. A group–subgroup analysis along with our first-principles calculations allows us to partially unravel the space group sequence. For instance, the first critical pressure is a monoclinic C2/m to trigonal $\overline{R}$3 transition at 10 GPa. Despite the softness and overall sensitivity to pressure, we do not locate an insulator-to-metal transition in this pressure range, indicating that the energy scale for gap closure is significantly higher than expected. We discuss these findings in terms of force-induced color change and Mott vs band character in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2012

Performance Characterization and Simulation of Amine-Based Vacuum Swing Sorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and water (H2O) vapor concentrations in a space suit is critical to ensuring an astronauts safety, comfort, and capability to perform extra-vehicular activity (EVA) tasks. Historically, this has been accomplished using lithium hydroxide (LiOH) and metal oxide (MetOx) canisters. Lithium hydroxide is a consumable material that requires priming with water before it becomes effective at removing carbon dioxide. MetOx is regenerable through a power-intensive thermal cycle but is significantly heavier on a volume basis than LiOH. As an alternative, amine-based vacuum swing beds are under aggressive development for EVA applications. The vacuum swing units control atmospheric concentrations of both CO2 and H2O through fully-regenerative process. The current concept, referred to as the rapid cycle amine (RCA), has resulted in numerous laboratory prototypes. Performance of these prototypes have been assessed experimentally and documented in previous reports. To support developmental e orts, a first principles model has also been established for the vacuum swing sorption technology. For the first time in several decades, a major re-design of Portable Life Support System (PLSS) for the extra-vehicular mobility unit (EMU) is underway. NASA at Johnson Space Center built and tested an integrated PLSS test bed of all subsystems under a variety of simulated EVA conditions of which the RCA prototype played a significant role. The efforts documented herein summarize RCA test performance and simulation results for single and variable metabolic rate experiments in an integrated context. In addition, a variety of off-nominal tests were performed to assess the capability of the RCA to function under challenging circumstances. Tests included high water production experiments, degraded vacuum regeneration, and deliberate valve/power failure and recovery.

Swickrath, Michael J.↗

DOE OSTI2026

Locating the QCD critical point through contours of constant entropy density

We propose a new method to investigate the existence and location of the conjectured high-temperature critical point of strongly interacting matter via contours of constant entropy density. By approximating these lines as a power series in the baryon chemical potential 𝜇 𝐵 , one can extrapolate them from first-principle results at zero net-baryon density, and use them to locate the quantum chromodynamics (QCD) critical point, including the associated first-order and spinodal lines. As a proof of principle, we employ currently available continuum-extrapolated lattice data from the Wuppertal-Budapest collaboration to find a critical point at a temperature and a baryon chemical potential of 𝑇 𝑐 = 114.3 ± 6.9 MeV and 𝜇 𝐵,𝑐 = 602.1 ± 62.1 MeV, respectively, at expansion order 𝒪⁡(𝜇$^{2}_{𝐵}$). We advocate for a more precise determination of the required expansion coefficients via lattice QCD simulations as a means of pinpointing the location of the critical endpoint in the phase diagram of strongly interacting matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1989

Automatic determination of fault effects on aircraft functionality

The problem of determining the behavior of physical systems subsequent to the occurrence of malfunctions is discussed. It is established that while it was reasonable to assume that the most important fault behavior modes of primitive components and simple subsystems could be known and predicted, interactions within composite systems reached levels of complexity that precluded the use of traditional rule-based expert system techniques. Reasoning from first principles, i.e., on the basis of causal models of the physical system, was required. The first question that arises is, of course, how the causal information required for such reasoning should be represented. The bond graphs presented here occupy a position intermediate between qualitative and quantitative models, allowing the automatic derivation of Kuipers-like qualitative constraint models as well as state equations. Their most salient feature, however, is that entities corresponding to components and interactions in the physical system are explicitly represented in the bond graph model, thus permitting systematic model updates to reflect malfunctions. Researchers show how this is done, as well as presenting a number of techniques for obtaining qualitative information from the state equations derivable from bond graph models. One insight is the fact that one of the most important advantages of the bond graph ontology is the highly systematic approach to model construction it imposes on the modeler, who is forced to classify the relevant physical entities into a small number of categories, and to look for two highly specific types of interactions among them. The systematic nature of bond graph model construction facilitates the process to the point where the guidelines are sufficiently specific to be followed by modelers who are not domain experts. As a result, models of a given system constructed by different modelers will have extensive similarities. Researchers conclude by pointing out that the ease of updating bond graph models to reflect malfunctions is a manifestation of the systematic nature of bond graph construction, and the regularity of the relationship between bond graph models and physical reality.

Feyock, Stefan↗

NASA NTRS1985

Physical concepts in the development of constitutive equations

Proposed viscoplastic material models include in their formulation observed material response but do not generally incorporate principles from thermodynamics, statistical mechanics, and quantum mechanics. Numerous hypotheses were made for material response based on first principles. Many of these hypotheses were tested experimentally. The proposed viscoplastic theories and the experimental basis of these hypotheses must be checked against the hypotheses. The physics of thermodynamics, statistical mechanics and quantum mechanics, and the effects of defects, are reviewed for their application to the development of constitutive laws.

Cassenti, B. N.↗

DOE OSTI2024

High-Temperature Observation of Intralayer, Interlayer, and Rydberg Excitons in Bulk Van Der Waals Alloy Single Crystals

Transition metal dichalcogenides exhibit remarkable optical properties due to the diverse number of strongly bound excitons, which can be fine-tuned by alloying. Despite a flurry of research activity in characterizing these excitons, a comprehensive and profound understanding of their behavior with temperature is lacking. Here, we report the rich spectrum of excitonic features within bulk van der Waals alloy Mo0.5 W0.5 S2 and Mo0.5 W0.5 Se2 single crystals through temperature-dependent reflectance spectroscopy and first-principles calculations. We observed Rydberg excitons and interlayer excitons in both the single crystals. Notably, we provide the first experimental evidence of highly energetic A' and B' excitons in Mo0.5 W0.5 S2 at room temperature. The strong carrier-phonon scattering significantly broadens the A', B', and interlayer excitons at room temperature in bulk Mo0.5 W0.5 S2 single crystal compared to its selenide. Our findings, supported by density functional theory and Bethe-Salpeter equation calculations, signify the crucial role of carrier-phonon interactions. These results open pathways for next-generation optoelectronic devices and quantum technologies operating at high temperature.

excitons↗

DOE OSTI2025

Origin of Pulsed Radio Emission from Magnetars

Extended periods of radio pulsations have been observed for six magnetars, displaying characteristics different from those of ordinary pulsars. In this Letter, we argue that radio emission is generated in a closed, twisted magnetic flux bundle originating near the magnetic pole and extending beyond 100 km from the magnetar. The electron–positron flow in the twisted bundle has to carry electric current and, at the same time, experiences a strong drag from the radiation field of the magnetar. This combination forces the plasma into a “radiatively locked” state with a sustained two-stream instability, generating radio emission. We demonstrate this mechanism using novel first-principles simulations that follow the plasma behavior by solving the relativistic Vlasov equation with the discontinuous Galerkin method. First, using one-dimensional simulations, we demonstrate how radiative drag induces the two-stream instability, sustaining turbulent electric fields. When extended to two dimensions, the system produces electromagnetic waves, including superluminal modes capable of escaping the magnetosphere. We measure their frequency and emitted power and incorporate the local simulation results into a global magnetospheric model. The model explains key features of the observed radio emission from magnetars: its appearance after an X-ray outburst, wide pulse profiles, luminosities ∼10 30 erg s −1 , and a broad range of frequencies extending up to ∼100 GHz.

Astronomical simulations↗

NASA NTRS1987

Ca + HF - The anatomy of a chemical insertion reaction

A comprehensive first-principles theoretical investigation of the gas phase reaction Ca + HF - CaF + H is reported. Ab initio potential energy calculations are first discussed, along with characteristics of the computed potential energy surface. Next, the fitting of the computed potential energy points to a suitable analytical functional form is described, and maps of the fitted potential surface are displayed. The methodology and results of a classical trajectory calculation utilizing the fitted potential surface are presented. Finally, the significance of the trajectory study results is discussed, and generalizations concerning dynamical aspects of Ca + HF scattering are drawn.

Jaffe, R. L.↗

DOE OSTI2026

Z α 2 correction to superallowed beta decays in effective field theory and implications for | V u d |

Superallowed ( 0 + → 0 + ) beta decays currently provide the most precise extraction of quark mixing in the Standard Model. Their interpretation as a measurement of | V u d | relies on a reliable first-principles computation of QED radiative corrections expressed as a series in Z α and α . In this work, we provide the first model-independent result for two-loop, O ( Z α 2 ) , long-distance radiative corrections where the nuclei are treated as heavy pointlike particles. We use renormalization group analysis to obtain new results at O ( Z α 3 ) for the coefficient of double logarithms in the ratio of the maximal beta energy to the inverse nuclear size, E m / R - 1 . We use the Kinoshita-Lee-Nauenberg theorem to obtain new results at O ( Z 2 α 3 ) for the coefficient of logarithms in the ratio of maximal beta energy to the electron mass, log ( 2 E m / m ) . We identify a structure-dependent, and, therefore, short-distance, contribution to the traditional Z α 2 correction that should be revisited. We provide the first comprehensive update to the long-distance corrections in almost 40 years and comment on the impact of our findings for extractions of | V u d | . We find that shifts in the long-distance corrections are 2.5 × larger than past estimates of their uncertainty, 1.5 × larger than the statistical uncertainty from the combined fit of superallowed decays, and about 1 / 2 the size of estimated systematic error, which stems dominantly from nuclear structure effects.

Cao, Zehua [Kentucky U.] (ORCID:0009000354256423)↗

NASA NTRS1976

Automated array assembly

Manufacturing techniques are evaluated using expenses based on experience and studying basic cost factors for each step to evaluate expenses from a first-principles point of view. A formal cost accounting procedure is developed which is used throughout the study for cost comparisons. The first test of this procedure is a comparison of its predicted costs for array module manufacturing with costs from a study which is based on experience factors. A manufacturing cost estimate for array modules of $10/W is based on present-day manufacturing techniques, expenses, and materials costs.

Williams, B. F.↗