Results for “coupling constant” — Page 81

NASA NTRS1993

Time-Accurate Unsteady Flow Simulations Supporting the SRM T+68-Second Pressure Spike Anomaly Investigation (STS-54B)

Time-accurate unsteady flow simulations are being performed supporting the SRM T+68sec pressure 'spike' anomaly investigation. The anomaly occurred in the RH SRM during the STS-54 flight (STS-54B) but not in the LH SRM (STS-54A) causing a momentary thrust mismatch approaching the allowable limit at that time into the flight. Full-motor internal flow simulations using the USA-2D axisymmetric code are in progress for the nominal propellant burn-back geometry and flow conditions at T+68-sec--Pc = 630 psi, gamma = 1.1381, T(sub c) = 6200 R, perfect gas without aluminum particulate. In a cooperative effort with other investigation team members, CFD-derived pressure loading on the NBR and castable inhibitors was used iteratively to obtain nominal deformed geometry of each inhibitor, and the deformed (bent back) inhibitor geometry was entered into this model. Deformed geometry was computed using structural finite-element models. A solution for the unsteady flow has been obtained for the nominal flow conditions (existing prior to the occurrence of the anomaly) showing sustained standing pressure oscillations at nominally 14.5 Hz in the motor IL acoustic mode that flight and static test data confirm to be normally present at this time. Average mass flow discharged from the nozzle was confirmed to be the nominal expected (9550 lbm/sec). The local inlet boundary condition is being perturbed at the location of the presumed reconstructed anomaly as identified by interior ballistics performance specialist team members. A time variation in local mass flow is used to simulate sudden increase in burning area due to localized propellant grain cracks. The solution will proceed to develop a pressure rise (proportional to total mass flow rate change squared). The volume-filling time constant (equivalent to 0.5 Hz) comes into play in shaping the rise rate of the developing pressure 'spike' as it propagates at the speed of sound in both directions to the motor head end and nozzle. The objectives of the present analysis are to: (1) capture the dynamic responses of the motor combustion gas flow to correlate with available low-frequency (less than 12.5 sample/sec) data and (2) observe the high-frequency (up to 50 Hz) characteristics of the response to determine any potentials for dynamic coupling.

Dougherty, N. S.↗

NASA NTRSDate not supplied

Nuclear Electric Propulsion for Outer Planet Science Missions

Nuclear electric propulsion (NEP) combines the high specific impulse of electric thrusters with a constant power source that can operate anywhere in the solar system. Current investments in fission surface power offer a starting point for development of an NEP capability for deep space science missions, with a mission to the Saturn system illustrating the potential of such a system. Minimum time of flight transits, maximum payload delivery, and a sample return from Enceladus are considered. The NEP system can deliver payloads to the Saturn system with similar transit times to the Cassini spacecraft without requiring the planetary flyby maneuvers, and when coupled with a heavy-lift launch vehicle an NEP-powered spacecraft can complete a Saturn transit significantly faster than Cassini. High payload masses can be delivered on a longer trajectory at the expense of transit time. Replacing a portion of the payload with propellant allows for a high degree of maneuverability upon reaching the Saturn system. An Enceladus sample return mission closes when utilizing the NEP system for the Saturn departure and Earth return burns.

Matthew E Duchek↗

DOE OSTI2026

Comparative Evaluation of Spectral Methods for Robust Reactor Noise Estimation

Reactor noise analysis provides a noninvasive means to determine neutron kinetic parameters from stochastic fluctuations in detector signals. However, standard cross-power spectral density (CPSD) analyses can be sensitive to numerical processing choices, which may introduce processing-dependent systematic shifts in estimates of the prompt neutron decay constant (α) and limit reproducibility. This study uses a hybrid multitaper–Welch spectral estimator to analyze subcritical noise measurements from a fast-spectrum critical assembly. The decay constant α was extracted using three frequency-domain methods: the CPSD, the magnitude-squared coherence (MSC), and the generalized magnitude-squared coherence (GMSC). These coherence-based estimators normalize detector auto-spectral structure and are expected to reduce the sensitivity of fitted α values to processing parameters. A Sobol global sensitivity analysis identified which numerical inputs most strongly influence the fitted values of α. All estimators produced a linear dependence of α on inverse count rate, with delayed-critical extrapolations near 1.7 × 10 4 s −1 , in agreement within 8% of MCNP6.3 KOPTS benchmark calculations. Sensitivity results show that while the CPSD depends on both time-bin width and taper selection, the MSC and GMSC are dominated by time-bin width alone, indicating reduced parameter coupling and greater robustness to processing variability. These findings demonstrate the feasibility and practical value of coherence-based spectral estimators for extracting α from reactor noise and support their broader application to multi-detector and irregular datasets in subcritical system characterization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

A conceptual model for how to design for building envelope characteristics. Impact of thermal comfort intervals and thermal mass on commercial buildings in U.S. climates

The paper presents a simplified conceptual model for energy demand calculations based on building envelope characteristics, thermal mass and local climate. It is based on a network model and lumped analysis of the dynamic process. Characteristic parameters for the buildings are suggested; Driving temperature (DT), Driving temperature difference, (DTD), External Load Temperature (ELT), and Thermal Load Resistance (TLR). The Building Envelope Performance ( BEP 0 ), based on a controlled constant indoor temperature is introduced. Solution techniques using stable explicit forward differences based on analytical solutions are derived. The conceptual model has been used for mapping the Driving temperature difference and introduced two performance factors and . The first factor represents the effect of thermal comfort interval and thermal mass on the energy demand. The latter represents the ratio between cooling and heating energy demand. These three parameters and factors have been visualized on U.S. maps and enable a possibility to communicate the demand of energy, and cooling and the coupling to building characteristics, in a concise way.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI 3

Understanding lattice dynamics and thermal transport mechanisms in cubic hybrid organic–inorganic perovskites remain challenging due to strong anharmonicity and phase transitions. Here, we investigate the thermal transport behavior in benchmark cubic hybrid perovskite FAPbI 3 by coupling first principles-based anharmonic lattice dynamics with a linearized Wigner transport equation. Using the Temperature-Dependent Effective Potential (TDEP) method, we stabilize the negative soft modes, primarily dominated by organic FA + cations. Our calculations predict an ultra-low thermal conductivity of ~$0.63\,{\rm{W}}{{\rm{m}}}^{-1}{{\rm{K}}}^{-1}$ at 300 K, following a temperature dependence of T −0.740 . Contrary to common assumptions, we find that the [PbI 3 ] 1- units, rather than FA + cations, dominate thermal resistance. Furthermore, we demonstrate that anharmonic force constants are highly temperature-sensitive, relying on 0-K force constants significantly underestimates thermal conductivity. Our study not only elucidates the microscopic mechanisms governing thermal transport in FAPbI 3 but also provides a robust framework for modeling heat conduction in hybrid organic-inorganic compounds.

Zheng, Jiongzhi [Dartmouth College, Hanover, NH (U↗

DOE OSTI2022

Combining translational and rotational seismic motions to invert local-scale seismic data for time-variable moment tensors: do rotational motions help for high-frequency seismic data produced by underground explosions?

SUMMARY We present an analysis of combining translational and rotational seismic data in an inversion for the time-variable source time functions corresponding to the components of the seismic moment tensor. We conduct a series of numerical experiments where the data are simulated by a combination of an underground explosion and a co-located double couple shear source and recorded on surface-mounted seismometers within 1–2 km of the source. The experiments are designed to mimic explosion seismology experiments, and thus the data are in the 1–10 Hz frequency range and contain very few surface waves. We use a Monte Carlo method to propagate Earth model uncertainty into the estimates of seismic source parameters. In our experiments, we find that the uncertainty of the estimated seismic source parameters increases when we add rotational seismic motions to the inversion when using a constant number of data channels. In this case, the increased degree of uncertainty in the final results is most likely due to the near-surface Earth model uncertainty that we introduce in our simulations. However, for a fixed number of seismic stations, adding rotational seismic motions to the inversion acts to decrease the uncertainty of the estimated seismic source parameters, most likely due to the increase in the number of data channels used in the inversion.

Poppeliers, Christian (ORCID:0000000159526849)↗

NASA NTRS1980

Two-stream approximations to radiative transfer in planetary atmospheres - A unified description of existing methods and a new improvement

Existing two-stream approximations to radiative transfer theory for particulate media are shown to be represented by identical forms of coupled differential equations if the intensity is replaced by integrals of the intensity over hemispheres. One set of solutions thus suffices for all methods and provides convenient analytical comparisons. The equations also suggest modifications of the standard techniques so as to duplicate exact solutions for thin atmospheres and thus permit accurate determinations of the effects of typical aerosol layers. Numerical results for the plane albedos of plane-parallel atmospheres are given for conventional and modified Eddington approximations, conventional and modified two-point quadrature schemes, the hemispheric-constant method and the delta-function method, all for comparison with accurate discrete-ordinate solutions. A new two-stream approximation is introduced that reduces to the modified Eddington approximation in the limit of isotropic phase functions and to the exact solution in the limit of extreme anisotropic scattering. Comparisons of plane albedos and transmittances show the new method to be generally superior over a wide range of atmospheric conditions (including cloud and aerosol layers), especially in the case of nonconservative scattering.

Meador, W. E.↗

DOE OSTI2023

Multi-reward reinforcement learning based development of inter-atomic potential models for silica

Abstract Silica is an abundant and technologically attractive material. Due to the structural complexities of silica polymorphs coupled with subtle differences in Si–O bonding characteristics, the development of accurate models to predict the structure, energetics and properties of silica polymorphs remain challenging. Current models for silica range from computationally efficient Buckingham formalisms (BKS, CHIK, Soules) to reactive (ReaxFF) and more recent machine-learned potentials that are flexible but computationally costly. Here, we introduce an improved formalism and parameterization of BKS model via a multireward reinforcement learning (RL) using an experimental training dataset. Our model concurrently captures the structure, energetics, density, equation of state, and elastic constants of quartz (equilibrium) as well as 20 other metastable silica polymorphs. We also assess its ability in capturing amorphous properties and highlight the limitations of the BKS-type functional forms in simultaneously capturing crystal and amorphous properties. We demonstrate ways to improve model flexibility and introduce a flexible formalism, machine-learned ML-BKS, that outperforms existing empirical models and is on-par with the recently developed 50 to 100 times more expensive Gaussian approximation potential (GAP) in capturing the experimental structure and properties of silica polymorphs and amorphous silica.

36 MATERIALS SCIENCE↗

NASA NTRS1988

An instrument for measuring the complex permittivity of the Martian top soil

This permittivity measuring instrument measures the resistivity rho and the relative dielectric constant epsilon sub r of the Martian top soil along the path of a rover. This aim is achieved by measuring the real and imaginary parts of the complex permittivity epsilon = epsilon sub r - j epsilon sub i where epsilon sub i = omega epsilon sub o rho/1; epsilon sub 1 is the permittivity of vacuum and omega is a variable angular working frequency. The experimental technique consists in evaluating the mutual, or transfer, impedance of a quadrupolar probe, i.e., in quantifying the influence of the Martian ground on the electrical coupling of two Hertz dipoles. The horizontal and vertical spatial resolutions are of the order of the length and separation of the dipoles, typically 1 to 2 metres. The four-electrode method for measuring the ground resistivity on earth was first applied by Wenner and Schlumberger, but the proposed investigation bears closer resemblance to a similar instrument developed for ground surveying at shallow depth, in connection with archaelogical and pedological research. A quadrupolar probe will provide essential information about the electric properties of the Martian ground and will contribute usefully to the identification of the soil structure and composition in association with other experimental equipment (camera, infra-red detector, gamma and X-ray spectrometers, chemical analyzers, ground temperature probes).

Grard, R.↗

NASA NTRSDate not supplied

High-Enthalpy Testing to Validate Simulation of an Aerosol Capture Probe

AERACEPT (Aerosol Rapid Analysis Combined Entry Probe/sonde Technology) is a developing technology enabling in-situ aerosol particle sampling and analysis in a small spacecraft mission envelope. It integrates a passive aerosol sample collection system into a probe’s thermal protection system (TPS) to remove the need for heat shield separation and active descent control (parachutes, gliders, etc.). AERACEPT is being validated against the requirements of the Nephele mission concept, which targets the middle and lower Venus cloud layers. The proposed technology employs 3D Carbon-Carbon (3D-CC) at the probe’s nose to withstand the extreme environments encountered in a Venus entry without producing pyrolysis gases that would contaminate the mission sample collection. Any shape change of this 3D-CC sample inlet will affect airflow through the sampling system, thereby impacting aerosol sample collection bias and efficiency. Accurate prediction of the nose’s material response during entry is there-fore of fundamental importance to the development and practical use of this technology. As a result, the AERACEPT project is planning a test campaign in the newly built PlasmatronX facility with a novel “Open Iso-Q” test article to validate state-of-the-art material response tools for a simulated Venus entry. The PlasmatronX is a 350 kW inductively-coupled plasma facility developed and run by the Center for Hypersonics and Entry Systems Studies at the University of Illinois at Urbana-Champaign. The facility can support ground testing for a variety of planetary destinations by simulating entry conditions in Nitrogen, Air, and Carbon Dioxide. To best simulate the Venus atmosphere and match flight-like recession, the planned AERACEPT test campaign will use Carbon Dioxide as its test gas. AERACEPT has designed two test articles for this campaign: 1) a standard test article whose curved surface approximates a constant applied heat flux (“Closed Iso-Q” model) and 2) a novel inlet test article with a through-hole at the stagnation point (“Open Iso-Q” model). Both article types consist of a 3D-CC sample bonded to a graphite fixture. All articles will be laser scanned before and after testing to estimate shape change and recession, and the “Closed Iso-Q” articles will be instrumented with thermocouples to provide temperature histories. The test article temperatures and inlet shape change will be compared against simulations run with the Porous material Analysis Toolbox based on OpenFOAM (PATO) to validate the AERACEPT 3D-CC material response model. Due to the high thermal conductivity of 3D-CC, multidimensional effects have a large influence on the test article temperature and the standard 1-D material response tools are not sufficient for test planning. The test campaign features (e.g. article design, run duration, heat fluxes) are therefore informed by a series of 3-D simulations using state-of-the-art material response tools such as PATO. The test campaign is scheduled for spring of 2024. Expected results include 1) Key drivers of selected test conditions (e.g. matching mission flight atmosphere & recession), 2) Simulation results that informed test article design, 3) Acquired test data such as recession measurements, temperature histories, and photos, and 4) Comparisons between test results and simulation predictions.

AERACEPT↗

NASA NTRSDate not supplied

High-Enthalpy Testing to Validate Simulation of an Aerosol Capture Probe

AERACEPT (Aerosol Rapid Analysis Combined Entry Probe/sonde Technology) is a developing technology enabling in-situ aerosol particle sampling and analysis in a small spacecraft mission envelope. It integrates a passive aerosol sample collection system into a probe’s thermal protection system (TPS) to remove the need for heat shield separation and active descent control (parachutes, gliders, etc.). AERACEPT is being validated against the requirements of the Nephele mission concept, which targets the middle and lower Venus cloud layers. The proposed technology employs 3D Carbon-Carbon (3D-CC) at the probe’s nose to withstand the extreme environments encountered in a Venus entry without producing pyrolysis gases that would contaminate the mission sample collection. Any shape change of this 3D-CC sample inlet will affect airflow through the sampling system, thereby impacting aerosol sample collection bias and efficiency. Accurate prediction of the nose’s material response during entry is there-fore of fundamental importance to the development and practical use of this technology. As a result, the AERACEPT project is planning a test campaign in the newly built PlasmatronX facility with a novel “Open Iso-Q” test article to validate state-of-the-art material response tools for a simulated Venus entry. The PlasmatronX is a 350 kW inductively-coupled plasma facility developed and run by the Center for Hypersonics and Entry Systems Studies at the University of Illinois at Urbana-Champaign. The facility can support ground testing for a variety of planetary destinations by simulating entry conditions in Nitrogen, Air, and Carbon Dioxide. To best simulate the Venus atmosphere and match flight-like recession, the planned AERACEPT test campaign will use Carbon Dioxide as its test gas. AERACEPT has designed two test articles for this campaign: 1) a standard test article whose curved surface approximates a constant applied heat flux (“Closed Iso-Q” model) and 2) a novel inlet test article with a through-hole at the stagnation point (“Open Iso-Q” model). Both article types consist of a 3D-CC sample bonded to a graphite fixture. All articles will be laser scanned before and after testing to estimate shape change and recession, and the “Closed Iso-Q” articles will be instrumented with thermocouples to provide temperature histories. The test article temperatures and inlet shape change will be compared against simulations run with the Porous material Analysis Toolbox based on OpenFOAM (PATO) to validate the AERACEPT 3D-CC material response model. Due to the high thermal conductivity of 3D-CC, multidimensional effects have a large influence on the test article temperature and the standard 1-D material response tools are not sufficient for test planning. The test campaign features (e.g. article design, run duration, heat fluxes) are therefore informed by a series of 3-D simulations using state-of-the-art material response tools such as PATO. The test campaign is scheduled for spring of 2024. Expected results include 1) Key drivers of selected test conditions (e.g. matching mission flight atmosphere & recession), 2) Simulation results that informed test article design, 3) Acquired test data such as recession measurements, temperature histories, and photos, and 4) Comparisons between test results and simulation predictions.

AERACEPT↗

DOE OSTI2026

Entire four-graviton EFT from the duality between color and kinematics

The Bern-Carrasco-Johansson (BCJ) double-copy construction reveals a fundamental structural connection between gauge and gravity theories. At its core, the BCJ double copy is directly due to a duality between the algebraic relations of a color root and those of a kinematic root. We generalize this principle beyond the conventional Lie algebra structure of tree-level Yang-Mills theory. By demanding color-kinematics duality for the complete basis of four-point color structures—including those involving the symmetric 𝑑 𝑎⁢𝑏⁢𝑐 constants—we define the universal double copy. We systematically classify the bases of all such parity-even generalized gauge-theory numerators and, independently, the space of all parity-even four-graviton higher-derivative operators. We demonstrate that our universal double-copy construction precisely spans the entire tower of parity-even four-graviton amplitudes in any dimension, except for the Lovelock 𝑅 3 contribution in 𝐷 > 6 which we can express in terms of a particularly simple universal triple-copy involving gauge theories coupled to scalars. Explicit machine-readable expressions for the complete basis of gauge-theory numerators and fundamental gravitational building blocks are provided in the Supplemental Material. This establishes that all possible four-point gravitational interactions can be factorized into products of gauge-theory building blocks governed by this universal notion of color-kinematics duality.

Carrasco, John Joseph M. [Northwestern Univ., Evan↗

NASA NTRS1981

Radiative-photochemical response of the mesosphere to dynamical forcing

Combination of the chemical continuity equation for odd oxygen with the second law of thermodynamics yields analytic solutions which describe the coupled behavior of temperature and ozone perturbations in response to an externally specified forcing. The results appear in a form which allows easy physical interpretation of the coupling between radiative and photochemical processes. When the forcing is chosen to mimic a planetary scale wave, the theory shows that photochemical acceleration of radiative damping reduces the amplitude of the temperature perturbation by an amount which increases with the wave period. Although ozone fluctuations are anti-correlated with those in temperature, minima in ozone do not coincide exactly in longitude with temperature maxima. The percentage variation in ozone increases upward and is always larger than that in temperature at the same pressure. This demonstrates that variations in ozone on constant pressure surfaces may serve as a sensitive indicator of wave activity in the mesosphere.

Frederick, J. E.↗

NASA NTRS2005

Energy Transport in the Thermosphere During the Solar Storms of April 2002

The dramatic solar storm events of April 2002 deposited a large amount of energy into the Earth's upper atmosphere, substantially altering the thermal structure, the chemical composition, the dynamics, and the radiative environment. We examine the flow of energy within the thermosphere during this storm period from the perspective of infrared radiation transport and heat conduction. Observations from the SABER instrument on the TIMED satellite are coupled with computations based on the ASPEN thermospheric general circulation model to assess the energy flow. The dominant radiative response is associated with dramatically enhanced infrared emission from nitric oxide at 5.3 microns from which a total of approx. 7.7 x 10(exp 23) ergs of energy are radiated during the storm. Energy loss rates due to NO emission exceed 2200 Kelvin per day. In contrast, energy loss from carbon dioxide emission at 15 microns is only approx. 2.3% that of nitric oxide. Atomic oxygen emission at 63 microns is essentially constant during the storm. Energy loss from molecular heat conduction may be as large as 3.8% of the NO emission. These results confirm the "natural thermostat" effect of nitric oxide emission as the primary mechanism by which storm energy is lost from the thermosphere below 210 km.

SOLAR STORMS↗

DOE OSTI2021

Chemical Control of Spin‐Orbit Coupling and Charge Transfer in Vacancy‐Ordered Ruthenium(IV) Halide Perovskites

Abstract Vacancy‐ordered double perovskites are attracting significant attention due to their chemical diversity and interesting optoelectronic properties. With a view to understanding both the optical and magnetic properties of these compounds, two series of Ru IV halides are presented; A 2 RuCl 6 and A 2 RuBr 6 , where A is K, NH 4 , Rb or Cs. We show that the optical properties and spin‐orbit coupling (SOC) behavior can be tuned through changing the A cation and the halide. Within a series, the energy of the ligand‐to‐metal charge transfer increases as the unit cell expands with the larger A cation, and the band gaps are higher for the respective chlorides than for the bromides. The magnetic moments of the systems are temperature dependent due to a non‐magnetic ground state with J eff =0 caused by SOC. Ru‐ X covalency, and consequently, the delocalization of metal d ‐electrons, result in systematic trends of the SOC constants due to variations in the A cation and the halide anion.

Vishnoi, Pratap↗

DOE OSTI2021

Chemical Control of Spin-Orbit Coupling and Charge Transfer in Vacancy-Ordered Ruthenium(IV) Halide Perovskites

Not provided.

Chemistry↗

DOE OSTI2024

Circumventing Kinetic Barriers to Metal Hydride Formation with Metal–Ligand Cooperativity

We report the two-electron, one-proton mechanism of cobalt hydride formation for the conversion of [Co III Cp(P Ph 2 N Bn 2 )(CH 3 CN)] 2+ to [HCo III Cp(P Ph 2 NBn 2 )] + . This complex catalytically converts CO 2 to formate under CO 2 reduction conditions, with hydride formation as a key elementary step. Through a combination of electrochemical measurements, digital simulations, theoretical calculations, and additional mechanistic and thermochemical studies, we outline the explicit role of the P Ph 2 N Bn 2 ligand in the proton-coupled electron transfer (PCET) reactivity that leads to hydride formation. We reveal three unique PCET mechanisms, and we show that the amine on the P Ph 2 N Bn 2 ligand serves as a kinetically accessible protonation site en route to the thermodynamically favored cobalt hydride. Cyclic voltammograms recorded with proton sources that span a wide range of pK a values show four distinct regimes where the mechanism changes as a function of acid strength, acid concentration, and timescale between electrochemical steps. Peak shift analysis was used to determine proton transfer rate constants where applicable. Furthermore, this work highlights the astute choices that must be made when designing catalytic systems, including the basicity and kinetic accessibility of protonation sites, acid strength, acid concentration, and timescale between electron transfer steps, to maximize catalyst stability and efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Effective Field Theory for Extreme Mass Ratio Binaries

We derive an effective field theory describing a pair of gravitationally interacting point particles in an expansion in their mass ratio, also known as the self-force (SF) expansion. The 0SF dynamics are trivially obtained to all orders in Newton’s constant by the geodesic motion of the light body in a Schwarzschild background encoding the gravitational field of the heavy body. The corrections at 1SF and higher are generated by perturbations about this configuration—that is, the geodesic deviation of the light body and the fluctuation graviton—but crucially supplemented by an operator describing the recoil of the heavy body as it interacts with the smaller companion. Using this formalism we compute new results at third post-Minkowskian order for the conservative dynamics of a system of gravitationally interacting massive particles coupled to a set of additional scalar and vector fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗