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At least 1,441 records · Page 80
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NASA NTRS1991

Neutrino-heated stars and broad-line emission from active galactic nuclei

Nonthermal radiation from active galactic nuclei indicates the presence of highly relativistic particles. The interaction of these high-energy particles with matter and photons gives rise to a flux of high-energy neutrinos. In this paper, the influence of the expected high neutrino fluxes on the structure and evolution of single, main-sequence stars is investigated. Sequences of models of neutrino-heated stars in thermal equilibrium are presented for masses 0.25, 0.5, 0.8, and 1.0 solar mass. In addition, a set of evolutionary sequences for mass 0.5 solar mass have been computed for different assumed values for the incident neutrino energy flux. It is found that winds driven by the heating due to high-energy particles and hard electromagnetic radiation of the outer layers of neutrino-bloated stars may satisfy the requirements of the model of Kazanas (1989) for the broad-line emission clouds in active galactic nuclei.

Macdonald, James↗
NASA NTRS2004

O VI Emission from the Interstellar Medium

This project's primary goal was to examine the Local Bubble, a large hot bubble surrounding the solar neighborhood. In order to do this, we observed the 1032 and 1038 A resonance line emission from O VI in the bubble and used the,results to comment on models for the Local Bubble and its embedded clouds. In order to maximize the signal to noise of our spectrum, we combined the awarded guest investigator observation with unpublished FUSE In Orbit Checkout observations. The resulting spectrum was sufficiently good as to enable us to place tight 2 sigma upper limits on the intensities of the 1032 and the 1038 A resonance lines. We also measured or placed upper limits on the other cosmic lines in the bandpass, including C III and C II. These are the first known ultraviolet emission line measurements and/or upper limits for the gas in the Local Bubble (as opposed to gas anywhere along long lines of sight). With the O VI upper limits, we were able to quantitatively evaluate competing theories for the origins of the Local Bubble. The upper limits are well below those expected in the Breitschwerdt model (which proposes that during its its early development, the Local Bubble rapidly expanded beyond its nascent cloud and, as a result, is now vastly underionized). The upper limits on the O VI resonance line doublet intensity and the measurement of the C III intensity, garnered from this project, combined with measurements of the O VI column density, garnered from another project, are so far below the predictions, that they make a good case for eliminating the Breitschwerdt model from the field of possibilities. Thus, instead of being vastly underionized, the Local Bubble is near ionizational equilibrium. In addition, the upper limits challenge the other well-known model for the Local Bubble. In that model, the Local Bubble was blown by a series of supernova explosions and winds and contains a myriad of evaporating clouds. The intensity of the O VI resonance line doublet predicted from models exceeds the observationally determined 2 sigma upper limits. The discrepancy prompts the exciting suggestion that there may be some astrophysics yet to be considered in standard hydrodynamic models. These measurements performed a second useful function. By subtract- ing them from the O VI intensity observed on long sight-lines through the Galactic halo and Local Bubble, we were able to estimate the intensity originating the Galactic halo.

Shelton, Robin L.↗
NASA NTRS1984

Line emission from H II blister models

Numerical techniques to calculate the thermal and geometric properties of line emission from H II 'blister' regions are presented. It is assumed that the density distributions of the H II regions are a function of two dimensions, with rotational symmetry specifying the shape in three-dimensions. The thermal and ionization equilibrium equations of the problem are solved by spherical modeling, and a spherical sector approximation is used to simplify the three-dimensional treatment of diffuse ionizing radiation. The global properties of H II 'blister' regions near the edges of a molecular cloud are simulated by means of the geometry/density distribution, and the results are compared with observational data. It is shown that there is a monotonic increase of peak surface brightness from the i = 0 deg (pole-on) observational position to the i = 90 deg (edge-on) position. The enhancement of the line peak intensity from the edge-on to the pole-on positions is found to depend on the density, stratification, ionization, and electron temperature weighting. It is found that as i increases, the position of peak line brightness of the lower excitation species is displaced to the high-density side of the high excitation species.

Rubin, R. H.↗
DOE OSTI2025

Design of novel refractory equiatomic multi-principal elemental alloys based on Mo-Nb-Ti system for Gen IV reactor applications

Excellent irradiation damage resistance demonstrated by multi-principal elemental alloys (MPEAs) has sparked significant interest among researchers, prompting exploration into their vast compositional space, to validate their suitability for nuclear applications. A combined approach of thermodynamic and empirical parameters calculations alongside CALPHAD (CALculation of PHAse Diagrams) for phase formation predictions enable high-throughput material selection for sophisticated applications like nuclear, overcoming laborious and time-consuming experiments. Key thermodynamic and empirical parameters for eight novel equiatomic MPEAs, based on seven low thermal neutron cross section refractory elements, for predicting phase formation were calculated, and equilibrium and non-equilibrium simulations in CALPHAD were employed to comprehensively model the systems. Pseudo binary phase diagram simulations showed that Zr, V or equiatomic CrV additions to the base MoNbTi alloy (MoNbTi-Zr, MoNbTi-V and MoNbTi-CrV alloys) favor the formation of isomorphous body-centered cubic (BCC) phase at high temperatures, while Cr, Al, equiatomic ZrV, or equiatomic CrAl additions (MoNbTi-Cr, MoNbTi-Al, MoNbTi-ZrV or MoNbTi-CrAl alloys) limit the solubility of them. Equilibrium CALPHAD simulations at 750 oC were consistent with XRD results on MoNbTi, MoNbTiZr and MoNbTiCr alloys, and partially for others. Notably, elemental segregation observed in the backscattered electron (BSE) scanning electron microscopy (SEM) images of the alloys was accurately simulated through non-equilibrium Scheil solidification calculations in CALPHAD, further verified by experiments. The precipitation of TiCr2 Laves phase in Cr containing MoNbTiCr and MoNbTiCrAl was accurately predicted while discrepancies were noted in MoNbTiCrV. The equilibrium simulations also provided insights into phase compositions at specific temperatures offering a pathway for tailoring the desired microstructure and properties of these systems. Empirical parameters calculations successfully predicted random solid solution in the base MoNbTi alloy, and with an exception in MoNbTiV and MoNbTiAl, predicted intermetallic precipitation in the rest, especially, Laves phase precipitation in Cr containing alloys.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'ideal interfaces', and in each volume the magnetic field relaxes to a Taylor state, where the pressure gradient $\nabla p = 0$. The MRxMHD model is implemented in the Stepped-Pressure Equilibrium Code (SPEC) so that the equilibrium solution in each region is computed while preserving the force balance across the interfaces. As SPEC computes the Hessian matrix (a discretized stability matrix), the stability of an MRxMHD equilibrium can also be computed with SPEC. In this article, using SPEC, we investigate the effect of local pressure gradients and the $\nabla p = 0$ in the vicinity of the resonant surface of a tearing mode. For low-beta plasma, we have been able to illustrate a relationship between the resistive singular-layer theory (Coppi et al 1966 Nucl. Fusion6 101; Glasser et al 1975 Phys. Fluids18 875–88) and the MRxMHD model. Within the singular layer, the volume-averaged magnetic helicity and the flux-averaged toroidal flux are shown to be the invariants for the linear tearing modes in SPEC simulations. Our technique to compute MRxMHD stability is first tested numerically in a cylindrical tokamak and its application in toroidal geometry is demonstrated. We demonstrate an agreement between the stability boundary obtained with SPEC simulation and the resistive inner-layer theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Toroidal modeling of energetic passing particle drift kinetic effects on tearing mode stability

Abstract Drift kinetic effects of the neutral beam injection induced passing energetic particles (EPs) on the linear stability of the n = 1 tearing mode (TM) (with the dominant poloidal harmonic of m = 2) are numerically investigated utilizing the MARS-K code (Liu et al 2008 Phys. Plasmas 15 112503), in a tokamak plasma with finite equilibrium pressure and anisotropic thermal transport. In the low plasma pressure regime, it is found that co- (counter-) passing EPs stabilize (destabilize) the TM, agreeing with previous studies. However, as the plasma pressure increases beyond a critical value, it is found that co-passing EPs also destabilize the mode. An in-depth analysis reveals that the net effect of co-passing EPs is a result of competition between the stabilizing contribution from the non-adiabatic drift kinetic terms and the destabilizing contribution associated with adiabatic terms, with the latter becoming more dominant at higher equilibrium pressure. Non-perturbative magnetohydrodynamic-kinetic hybrid modeling also finds that co- and counter-passing EPs modify the TM eigenfunction differently, with the counter-passing EPs enhancing the sideband harmonics. Furthermore, effects of the plasma resistivity and toroidal rotation, as well as that of the equilibrium distribution of EPs in the particle pitch angle space, are also investigated, showing asymmetric results on the TM stability between the co- and counter-passing EPs. The first order finite orbit width correction is found to be stabilizing with co-passing EPs and destabilizing with counter-passing particles. Finally, drift resonances between passing EPs and the TM induce finite frequency to the mode and generate finite net torques inside the plasma, due to the neoclassical toroidal viscosity and the Reynolds stress associated with 3D perturbations.

Physics↗
NASA NTRS1996

A Parametric Study of a Plug Nozzle, Using the Liquid Propellant Program (LPP) Code

The Liquid Propellant Program (LPP) computer code is a super-set of the industry standard Two Dimensional Kinetics (TDK) computer code. The TDK code uses a two dimensional method of characteristics solution with fully coupled finite rate kinetics for axially symmetric nozzles. The chemical reactions are modeled with a generalized reaction package that include three dimensional body efficiencies and four reaction rate forms. The code performs optional solutions for frozen or equilibrium flow. TDK evaluates discrete shocks, both attached or induced. The Transonic module models variable mixture ratio profiles from the combustion chamber injector. The Mass Addition Boundary Layer module (MABL) calculates the boundary parameters with the same chemistry options, and includes transpiration or tangential slot injection of gas at the wall. The LPP upgrades include: planar nozzle, scarfed nozzles, plug nozzles, and scramjet nozzle configurations. The code evaluates both upper and lower wall flow simulation, and includes the interaction with the external flow. The MABL module evaluates equilibrium radiation heat transfer for both upper and lower walls. In addition, LPP code models combustion effects due to injector inefficiencies with the Spray Combustion Analysis Program (SCAP) module. The LPP package provides extensive post plotting capabilities for flow visualization. The LPP is sufficiently fast and robust to provide performance predictions for extensive parametric studies and sufficiently accurate to provide flow field and performance solutions for detailed studies.

Dunn, Stuart S.↗
DOE OSTI2020

Heavy flavor quenching and flow: the roles of initial condition, pre-equilibrium evolution, and in-medium interaction

Within an advanced Langevin-hydrodynamics framework coupled to a hybrid fragmentation-coalescence hadronization model, we study heavy flavor quenching and flow in relativistic heavy-ion collisions. We investigate how the initial heavy quark spectrum, the in-medium energy loss and hadronization mechanisms of heavy quarks, the evolution profile of the pre-equilibrium stage, the medium flow, and the temperature dependence of heavy quark diffusion coefficients influence the suppression and elliptic flow of heavy mesons at the RHIC and the LHC. Our results show that the different modeling of initial conditions, pre-equilibrium evolution, and in-medium interactions can individually yield uncertainties of approximately 10-40% in D meson suppression and flow at a low transverse momentum. Furthermore, we also find that proper combinations of collisional versus radiative energy loss, coalescence versus fragmentation in hadronization, and the inclusion of medium flow are the most important factors for describing the suppression and elliptic flow of heavy mesons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Radar scattering and equilibrium ranges in wind-generated waves with application to scatterometry

To provide theoretical basis for the connection between observed radar scattering and wind-generated waves, a model for the response of surface waves in the gravity-capillary equilibrium region of the spectrum is proposed on the basis of a local (in wavenumber) balance between wind input and dissipation. The wind input function was constructed on the basis of laboratory observations of short-wave growth, while the dissipation function was developed from ideas of viscous dissipation and wave breaking in response to local accelerations and modified by kinematic effects of phase and group velocity differences. The model was exercised at L, C, X, and Ka bands to demonstrate the differences in wind speed and water temperature sensitivity.

Donelan, Mark A.↗
DOE OSTI2025

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗
DOE OSTI2020

An Improved Model For Determining Salinity Recharge Time for Deep Borehole Disposal - 20405

In a previous publication (K. P. Travis, D. Burley and F. G. F. Gibb, WM2017 Conference, Phoenix Arizona paper no. 17480) we introduced a numerical model to estimate the time it would take for a pressure perturbation to subside following its creation from the construction of a deep geological borehole in water-saturated rock. The model was based on the notion of a point source of momentum - a solution of the time-dependent pressure-diffusion equation. Using the model, we estimated that it would take on the order of 10 k years for physical equilibrium to become re-established following the sinking of a 5 km borehole in granite. The significance of such a model is that it places an upper bound on the lifetime required of a borehole sealing system - a necessary input to a borehole post-closure safety case assessment. No engineered sealing system has ever been devised which is capable of retaining its sealing properties for 10 half-lives of long-lived radioisotopes in spent fuel or high-level waste. One of the key advantages of disposing of nuclear waste via Deep Borehole Disposal (DBD) is the natural sealing provided by density stratified groundwater. Upon sinking of a borehole, and subsequent filling with fresh water, brine or drilling mud, this natural barrier may be temporarily damaged. Over time, fresh brine from the far-field will flow towards or away from the hole (driven by a pressure gradient) and will eventually re-establish the original salinity gradient. It follows that the engineered seals need last only as long as the time required for this salinity gradient to reset itself. One of the limitations of our previous model was the use of a static boundary condition on the borehole wall. The model used a boundary pressure which varied quadratically with depth (arising from differences between the pressure of a column of fresh water in the borehole and that of a column of brine in the host rock). However as brine replaces fresh water in the borehole (driven by a pressure gradient), the boundary function must change with time. We now introduce an improved model which takes this time dependent boundary condition into account. The model also takes into account the time taken for a mixture of brine and fresh water to re-establish chemical equilibrium through the process of diffusion. The paper contains the mathematical details of our new iterative model as well as results showing the time taken to reach steady state, and concentration profiles for the components of the brine-filled borehole as a function of time together with a discussion on the implications of the results for developing a post-closure safety assessment for DBD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Modelling the Local Interstellar Medium as a Supernova Remnant in a Multiphase Gas

The construction of supernova remnant which is consistent with the observations and what it talls about the theory was investigated. It is argued that thermal evaporation and local inhomogeneity are crucial elements which are essential to any satisfactory description. It is concluded that: (1) a multiphase supernova remnant (SNR) seems to provide a plausible description of the local interstellar medium (ISM); (2) the local region could have been deficient in cool gas prior to the supernova both on theoretical and observational grounds; (3) the Sun may lie in a region towards the outside of the supernova remnant which hasn't yet come into pressure equilibrium with the hot gas; and (4) evaporative models give a much more satisfactory description of the O VI observations than Sedov Solutions.

Cowie, L. L.↗
NASA NTRS1989

Solving the BM Camelopardalis puzzle

BM Camelopardalis (=12 Cam) is a chromospherically active binary star with a relatively large orbital eccentricity. Systems with large eccentricities usually rotate pseudosynchronously. However, BM Cam has been a puzzle since its observed rotation rate is virtually equal to its orbital period indicating synchronization. All available photometry data for BM Cam have been collected and analyzed. Two models of modulated ellipticity effect are proposed, one based on equilibrium tidal deformation of the primary star and the other on a dynamical tidal effect. When the starspot variability is removed from the data, the dynamical tidal model was the better approximation to the real physical situation. The analysis indicates that BM Cam is not rotating pseudosynchronously but rotating in virtual synchronism after all.

Teke, Mathias↗
NASA NTRS1984

Extreme Limb Profiles of the Sun at Far Infrared and Submillimeter Wavelengths

Limb intensity profiles at 30, 50, 100, and 200 microns, determined from Kuiper airborne observatory (KAO) observations of the occultation of the solar limb during the total eclipse of July 31, 1981, are presented. Significant but gradual limb brightening was found at the longer wavelengths consistent with the 6000 K temperature-plateau structure of the model chromospheres of Vernazza, Avrett, and Loeser. The 100 and 200 micrometers limbs are extended significantly further above the visible limb than the Vernazza, Avrett, and Loeser model predicts. These results show that the solar chromosphere is strongly perturbed from gravitational-hydrostatic equilibrium to heights as low as 1000 km. These profiles can serve as a powerful diagnostic for modeling the temperature and density of chromospheric structure free from the assumption of gravitational-hydrostatic equilibrium.

Becklin, E. E.↗
DOE OSTI2023

Cosmological consequences of first-order general-relativistic viscous fluid dynamics

In this work, we investigate the out-of-equilibrium dynamics of viscous fluids in a spatially flat Friedmann-LemaîtreRobertson-Walker cosmology using the most general causal and stable viscous energy-momentum tensor defined at first order in spacetime derivatives. In this new framework a pressureless viscous fluid having equilibrium energy density ρ can evolve to an asymptotic future solution in which the Hubble parameter approaches a constant while ρ → 0, even in the absence of a cosmological constant (i.e., Λ = 0). Thus, while viscous effects in this model drive an accelerated expansion of the universe, the equilibrium energy density itself vanishes, leaving behind only the acceleration. This behavior emerges as a consequence of causality in first-order theories of relativistic fluid dynamics and it is fully consistent with Einstein’s equations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Narrow operator models of stellarator equilibria in Fourier Zernike basis

Numerical computation of the ideal magnetohydrodynamic (MHD) equilibrium magnetic field is at the base of stellarator optimisation and provides the starting point for solving more sophisticated partial differential equations like transport or turbulence models. Conventional approaches solve for a single stationary point of the ideal MHD equations, which is fully defined by three invariants and the numerical scheme employed by the solver. We present the first numerical approach that can solve for a continuous distribution of equilibria with fixed boundary and rotational transform, varying only the pressure invariant. This approach minimises the force residual by optimising parameters of multilayer perceptrons that map from a scalar pressure multiplier to the Fourier Zernike basis as implemented in the modern stellarator equilibrium solver DESC.

fusion plasma↗
NASA NTRS2017

Interpretation of Ferroan Anorthosite Ages and Implications for the Lunar Magma Ocean

Ferroan Anorthosites (FANs) are considered to have purportedly crystallized directly from the lunar magma ocean (LMO) as a flotation crust. LMO modeling suggests that such anorthosites started to form only after greater than 70 percent of the LMO had crystallized. Recent age dates for FANs have questioned this hypothesis as they span too large of an age range. This means a younger age for the Moon-forming giant impact or the LMO hypothesis is flawed. However, FANs are notoriously difficult to age-date using the isochron method. We have proposed a mechanism for testing the LMO hypothesis through using plagioclase trace element abundances to calculate equilibrium liquids and compare them with LMO crystallization models. We now examine the petrography of the samples that have Sm-Nd (Samarium-Neodymium) age dates (Rb-Sr (Rubidium-Strontium) isotopic systematics may have been disturbed) and propose a relative way to age date FANs.

Neal, C. R.↗
NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

Svizhenko, Alexei↗