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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Model-based Cross-correlation Search for Gravitational Waves from the Low-mass X-Ray Binary Scorpius X-1 in LIGO O3 Data

We present the results of a model-based search for continuous gravitational waves from the low-mass X-ray binary Scorpius X-1 using LIGO detector data from the third observing run of Advanced LIGO and Advanced Virgo. This is a semicoherent search that uses details of the signal model to coherently combine data separated by less than a specified coherence time, which can be adjusted to balance sensitivity with computing cost. The search covered a range of gravitational-wave frequencies from 25 to 1600 Hz, as well as ranges in orbital speed, frequency, and phase determined from observational constraints. No significant detection candidates were found, and upper limits were set as a function of frequency. The most stringent limits, between 100 and 200 Hz, correspond to an amplitude h $_{0}$ of about 10$^{−25}$ when marginalized isotropically over the unknown inclination angle of the neutron star’s rotation axis, or less than 4 × 10$^{−26}$ assuming the optimal orientation. The sensitivity of this search is now probing amplitudes predicted by models of torque balance equilibrium. For the usual conservative model assuming accretion at the surface of the neutron star, our isotropically marginalized upper limits are close to the predicted amplitude from about 70 to 100 Hz; the limits assuming that the neutron star spin is aligned with the most likely orbital angular momentum are below the conservative torque balance predictions from 40 to 200 Hz. Assuming a broader range of accretion models, our direct limits on gravitational-wave amplitude delve into the relevant parameter space over a wide range of frequencies, to 500 Hz or more.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Uncertain characterization of reservoir fluids due to brittleness of equation of state regression

Equations of state (EoS) play a central role in modeling the phase equilibrium of fluid mixtures. Their parameterization involves fitting a model to experimental data, i.e., solving a nonlinear, non-convex, multivariate optimization problem. The latter requires one to select design variables, domains of definition for each variable, and weights assigned to individual measurements. We demonstrate that subjective choices of an optimization algorithm and an initial guess also impact the regression process. Consequently, EoS predictions are fundamentally uncertain even after the EoS tuning to a limited set of experimental data points. We demonstrate this observation for two hydrocarbon reservoir fluids, in which five properties of the heaviest carbon fraction are treated as design variables. While all the optimization algorithms and initial guesses match experimental data for the gas and liquid properties, the resulting EoS parameterizations lead to dramatically different predictions of the fluid’s thermophysical behavior in the unsampled pressure and temperature regions. In conclusion, we propose the probabilistic treatment of design variables to quantify the predictive uncertainty of the resulting fluid models.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

The Sonora Brown Dwarf Atmosphere and Evolution Models. I. Model Description and Application to Cloudless Atmospheres in Rainout Chemical Equilibrium

Here we present a new generation of substellar atmosphere and evolution models, appropriate for application to studies of L-, T-, and Y-type brown dwarfs and self-luminous extrasolar planets. The models describe the expected temperature-pressure profiles and emergent spectra of atmospheres in radiative-convective equilibrium with effective temperatures and gravities within the ranges 200 ≤ T eff ≤ 2400 K and $2.5\leqslant \mathrm{log}g\leqslant 5.5$. These ranges encompass masses from about 0.5 to 85 Jupiter masses for a set of metallicities ([M/H] = – 0.5 to + 0.5), C/O ratios (from 0.5 to 1.5 times that of solar), and ages. These models expand the diversity of model atmospheres currently available, notably to cooler effective temperatures and greater ranges in C/O. Notable improvements from past such models include updated opacities and atmospheric chemistry. Here we describe our modeling approach and present our initial tranche of models for cloudless, chemical equilibrium atmospheres. We compare the modeled spectra, photometry, and evolution to various data sets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A comparative study of solute trapping in Fe-(33–45 at%) Cu alloys manufactured by laser directed energy deposition

The high cooling rates in laser directed energy deposition (DED-LB) of alloys lead to substantial amounts of solute trapping as solute atoms cannot diffuse away from the solid/liquid interface before it advances. In some concentrated alloys, this results in supersaturated solid phases that form nanoscale hierarchical microstructures when the solute atoms precipitate out during reheating from subsequent laser passes. We choose the Iron-Copper (Fe-Cu) binary alloy as model system as it is chemically homogeneous in the liquid phase and has negligible solid solubility at room temperature. Two alloys with nominal compositions in atomic (at.) %, Fe67Cu33 and Fe55Cu45, were manufactured using DED-LB. Scanning transmission electron microscopy (STEM), energy dispersive spectroscopy (EDS) and wavelength dispersive spectroscopy (WDS) were used to characterize the nanostructures and heterogeneous chemical compositions. A non-equilibrium solute partitioning model was used to compute the supersaturated chemistries of the constituent phases and validated with experimentally measured compositions. The measured phase compositions of the two alloys were very similar, at roughly 12 at.% Cu and 4 at.% Fe in the α(bcc)-Fe and ε(fcc)-Cu phases respectively, despite having different processing parameters and mechanical behavior. This indicates that the total thermal history, that depends on both the processing parameters and laser scan pattern, plays a stronger role on the final microstructure evolution than just the initial quantity of trapped solute. In addition, we find that current non-equilibrium solute partitioning models applied on the continuum scale fall short of predicting accurate quantitative phase compositions in concentrated alloys, although the qualitative trends are captured correctly.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reconstruction of current profiles from external magnetic and MSE measurements on DIII-D

This work introduces a new current model into the EFIT code for plasma current profile reconstruction. Using this model, edge-localized current density profiles are reconstructed solely from external magnetic measurements. Quantitative comparisons show that edge current profiles obtained with the new current model align closely with those from kinetic equilibrium reconstruction. The new model enables current density reconstruction with fewer diagnostics than kinetic equilibrium reconstruction (Lao et al 1990 Nucl. Fusion 30 1035–49), demonstrating that edge-localized current density information can be obtained from external magnetic measurements only, without the help of kinetic profiles and internal diagnostics, and without using the bootstrap current model. Furthermore, with the constraints of external magnetic and MSE measurements, current profiles in full radius obtained from the new model are in good agreement with the results of kinetic equilibrium reconstruction, which not only improves the efficiency of current reconstruction but also helps avoid possible errors caused by different kinds of diagnoses. Possible applications are also discussed, and a brief analysis of the evolution of the full-radius current density is performed. Noticeable decreases in both the magnitude and gradient of the edge current around the time of ELM bursts are observed. Moreover, analysis of the full radius current density profiles ( ρ N = 0 − 1.0, ρN denotes to square root of the normalized toroidal flux) reveals that as the edge current changes, the inner current also changes following a sinusoidal-like pattern at almost all time slices during four type-I ELMs in discharge 161493. The current evolution in the inner region ( ρ N = 0.2 − 0.6) is synchronized with the boundary region ( ρ N = 0.89 − 1.0), while the intermediate region ( ρ N = 0.6 − 0.89) shows opposite behavior. This sinusoidal-like variations in full-radius current density profile indicates strong core-pedestal coupling, suggesting ELMs significantly affect core plasmas, though current changes manifest differently across radial regions.

EFIT↗
DOE OSTI2020

Optimal Equilibrium Selection of Price-Maker Agents in Performance-Based Regulation Market

This paper analyzes the oligopolistic equilibrium of multiple price-maker agents in performance-based regulation (PBR) markets. In these markets, there are price-maker agents representing some frequency regulation (FR) providers and a number of independent price-taker FR providers. An equilibrium problem with equilibrium constraints (EPEC) model is employed in this paper to study the equilibria of a PBR market in the presence of price-maker agents and pricetaker FR providers. Due to the incorporation of the FR providers' dynamics, the proposed model is reformulated as a mixed-integer linear programming (MILP) problem over innovative mathematical techniques. An optimal equilibrium point is also selected for the market, where none of the agents is unique deviator and the dynamic performance of power system is improved simultaneously. The effectiveness of proposed optimal equilibrium point is evaluated in the numerical results section by comparing the outputs with conventional optimal dispatches of the FR providers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

The Onset of Nucleate Boiling Prediction in a Mini Channel with the Eulerian Multiphase Flow

The prediction of boiling incipience is a critical issue for a reactor. Vapor lock causes operating instability and undesirable temperature rise, especially for small channels. This study uses the Eulerian multiphase flow boiling model to predict the onset of nucleate boiling in a millimeter scale rectangular channel. Two wall boiling models, namely the RPI (Rensselaer Polytechnic Institute) and the non-equilibrium sub cooled model are applied. Computational fluid dynamics is employed for this study to investigate the impact of operating conditions like liquid flow rate, operating pressure, heat flux, velocity profile, turbulence model, and inlet liquid temperature. Here, the effect of fundamental boiling parameters on the surface wall temperature and vapor volume fraction is also studied. The parameters under consideration are the bubble departure diameter, bubble departure frequency, nucleate site density, quenching time period, and interface heat transfer coefficients. A series of CFD calculations is conducted by varying the considered variables systematically in a wide range of flow conditions covering laminar, transition, and turbulent flows. The sub-component heat fluxes like the liquid convective, the vapor convective, the evaporative, and the quenching terms are monitored to infer the boiling dynamics in the transition region from the single-phase flow to the nucleate boiling zone. It is found that the CFD approach to detecting the boiling incipience point agrees reasonably with available experimental data. However, its limitations, like inaccuracy for lower flow rates and early transition to boiling flow, are also noticed due to the nature of the considered RPI model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A Model for Turbulence Spectra in the Equilibrium Range of the Stable Atmospheric Boundary Layer

Stratification can cause turbulence spectra to deviate from Kolmogorov's isotropic -5/3 power law scaling in the universal equilibrium range at high Reynolds numbers. However, a consensus has not been reached with regard to the exact shape of the spectra. Here we propose a shape of the turbulent kinetic energy and temperature spectra in horizontal wavenumber for the equilibrium range that consists of three regimes at small Froude number: the buoyancy subrange, a transition region, and the isotropic inertial subrange through dimensional analysis and substantial revision of previous theoretical approximation. These spectral regimes are confirmed by various observations in the atmospheric boundary layer. The representation of the transition region in direct numerical simulations will require large-scale separation between the Dougherty-Ozmidov scale and the Kolmogorov scale for strongly stratified turbulence at high Reynolds numbers, which is still challenging computationally. In addition, we suggest that the failure of Monin-Obukhov similarity theory in the very stable atmospheric boundary layer is due to the fact that it does not consider the buoyancy scale that characterizes the transition region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

238 U PFNS Evaluation Update [Slides]

Experimental 238 U PFNS were reviewed in detail including Chi-Nu PFNS. 7/10 data sets have been accepted. We have performed a detailed UQ using LANL code ARIADNE and templates of expected PFNS measurement uncertainties. we have included Chi-Nu PFNS in experimental data base. The extended Los Alamos model in CoH was used for prior calculation. Multiple chance fission and pre-equilibrium (with exciton model) contributions were modeled.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A separations and purification process for improving yields and meeting fuel contaminant specifications for high-octane gasoline produced from dimethyl-ether over a Cu/BEA catalyst

In this work, we have been developing a three-step conversion of biomass-derived syngas to methanol to dimethyl-ether (DME) to non-aromatic hydrocarbons for use as high-octane gasoline and sustainable aviation fuel. This process produces branched alkanes from DME using a Cu/BEA catalyst and is a promising alternative to other syngas conversion processes such as Fischer-Tropsch to linear alkanes and traditional ZSM-5 catalyzed methanol to aromatic gasoline. In this short article we describe some advances in our understanding related to separations and purification via the use of more detailed experimental speciation in an updated process model involving multiple phase equilibrium-based separation steps. Primary modeled reactor outlet constituents (and weight %) are: C3 and lighter hydrocarbon gases (11.1%), C4s (54.5%), H 2 (1.2%), CO 2 (2.9%), water (5.0%), unreacted DME (16.5%), methanol (2.3%), and C5+ hydrocarbons (6.4%). DME (the primary reactant) and H 2 recycle and reuse are important for the overall process efficiency, and the recycle of C4s is important to increase the C5+ yield via reactivation and homologation. Thus H 2 , C4s, and DME are targeted for recycle, while methanol and water need to be removed from the product to conform with fuel specifications. Model predictions from Aspen Plus using the NRTL-RK property method indicate a fuel composition with C5+ content of 97.1 wt%, with minor constituents: 2.4 wt% C4s, 0.3 wt% methanol, 0.1 wt% DME, 0.03 wt% water, and 0.01 wt% C3s. These ranges of minor components conform with fuel quality requirements, and the modeled product is amenable for unconstrained blending to boost gasoline octane ratings.

09 BIOMASS FUELS↗
DOE OSTI2023

Modeling The DLOFC Accident Scenario of HTR-PM Equilibrium Core Using NEAMS Tools

High-Temperature Gas-cooled Reactors (HTGRs) have excellent characteristics in terms of safety and high thermal efficiency, and they are gaining a large interest from the industry as a candidate of Gen-IV reactors for a wide range of applications. The High Temperature gas-cooled Reactor Pebble-bed Module project (HTR-PM) is one of these designs and where helium gas is used to cool the pebble-bed region that consists of spherical fuel elements moderated with graphite. The HTR-PM design is based on the combined experience from the German pebble-bed reactor program from the 1960s through the 1990s and the HTR-10 experience in China during the 2000s. Idaho National Laboratory has a long experience in modeling of HTGRs working in developing neutronics and thermal hydraulics tools for the proper modeling of these reactors. The neutronics code Griffin has the capability to model pebble depletion . While the thermal hydraulics code Pronghorn was developed mainly to model the pebble bed reactors with the porous media assumption. In this work, an equilibrium core Multiphysics model was developed for the HTR-PM reactor to analyze the depressurized loss of forced cooling accident scenario (DLOFC). This paper is organized as follows: First, a brief description of the reactor and model specifications are provided. Then, the developed Multiphysics model is discussed. Finally, verification results of the steady-state equilibrium core and DLOFC accident are presented followed by a summary of the conclusions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Self-consistent equilibrium and transport simulations for NSTX-U plasmas enhanced via machine learning surrogate models

The Control-Oriented Transport SIMulator (COTSIM) is an advanced equilibrium and transport code designed for simulating tokamak discharges at computational speeds suitable for control applications. COTSIM’s modular framework enables users to select models that balance accuracy with speed according to specific needs, allowing the code to operate from fast to faster-than-real-time performance levels. This work presents recent enhancements to COTSIM’s predictive accuracy for NSTX-U scenarios, achieved by integrating neural-network-based surrogate models and self-consistent equilibrium calculations. To improve source deposition predictions, a surrogate model for NUBEAM has been incorporated. Additionally, a surrogate model for the Multi-Mode Module (MMM) now supports predictions of anomalous thermal, momentum, and particle diffusivities—key factors for modeling the evolution of temperature and rotation. Each surrogate model was specifically trained for the NSTX-U operational regime to enhance COTSIM’s accuracy while maintaining computational efficiency. Moreover, COTSIM now couples fixed-boundary equilibrium solvers with its transport solvers, enabling self-consistent predictions of plasma profiles and equilibrium evolution over the discharge. Simulation results demonstrate strong agreement between COTSIM and TRANSP predictions for NSTX-U discharges. These substantial advancements expand COTSIM’s utility in model-based control applications for NSTX-U. Potential applications include simultaneous optimization of equilibrium and transport scenarios, integration into digital twins, real-time profile estimation (e.g., temperature and rotation) from limited or noisy measurements, and advanced feedback-based scenario control.

Equilibrium and transport modeling↗
DOE OSTI2022

Assessing free tropospheric quasi-equilibrium for different GCM resolutions using a cloud-resolving model simulation of tropical convection

Abstract This study examines the free-tropospheric quasi-equilibrium at different global climate model (GCM) resolutions using the simulation of tropical convection by a cloud-resolving model during the Tropical Western Pacific International Cloud Experiment. The simulated dynamic and thermodynamic fields within the model domain are averaged over subdomains of different sizes equivalent to different GCM resolutions. These coarse-grained fields are then used to compute CAPE and its change with time, and their relationships with simulated convection. Results show that CAPE change with time is controlled predominantly by variations of thermodynamic properties in the planetary boundary layer for all subdomain sizes ranging from 64 to 4 km. Lag correlation analysis shows that CAPE generation by the free-tropospheric dynamical advection (dCAPE ls ) leads convective precipitation but is in phase with convective mass flux at 600 mb and 500 mb vertical velocity for all subdomain sizes. However, the correlation coefficients and regression slopes decrease as the subdomain size decreases for subdomain sizes smaller than 16 km. This is probably due to increased randomness of convection and more scale-dependence of the relationships when the subdomain size reaches the grey zone. By examining the sensitivity of the relationships of convection with dCAPE ls to temporal scales in different subdomain size, it shows that the quasi-equilibrium between dCAPE ls and convection holds well for timescales of 30 min or longer at all subdomain sizes. These results suggest that the free tropospheric quasi-equilibrium assumption may still be useable even for GCM resolutions in the grey zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

IDAES-PSE 2.7.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.7.0 Release Highlights New features: AutoScaler and CustomScalerBase classes: Such tools are the core of the new scaling framework being implemented in IDAES. Wider adoption of scaling tools among users will result in quicker and more robust model solutions. Scaler for equilibrium reactor and saponification properties: These scaler models are examples to follow for how to use the new scaling tools. ONNX Surrogate support from Optimization & Machine Learning Toolkit (OMLT): ONNX is an open standard format to save and load ML/AI models that is widely supported by all major frameworks. This capability makes it easier for IDAES users to create surrogate models and use them without having to support each framework individually. 1D Membrane Model for CO2 Capture and Utilization: Supports ongoing efforts for modeling and optimizing polymer membrane processes for CO2 capture and conversion into formic acid. StreamScaler unit model: Unrelated to the CustomScalerBase, this unit model allows a stream’s extensive variables to be scaled by a fixed factor. This allows streams being processed by multiple units in parallel to be scaled down to unit scale and scaled back up to process scale. Bug fixes or improvements: Scaling, EoS, Diagnostics tool, Modular Properties, tests & documentation Deprecations: Old Cubic EoS

AS↗
DOE OSTI2021

Phase transition to blob-hole coherent structure in the Hasegawa–Mima model for plasmas

An equilibrium statistical mechanics theory for the Hasegawa–Mima equations of toroidal plasmas, with canonical constraint on energy and microcanonical constraint on potential enstrophy, is solved exactly as a spherical model. The use of a canonical energy constraint instead of a fixed-energy microcanonical approach is justified by the preference for viewing real plasmas as an open system. A significant consequence of the results obtained from the partition function, free energy and critical temperature, is the condensation into a ground state exhibiting a blob-hole-like structure observed in real plasmas.

Physics↗
DOE OSTI2021

SPEARS: A Database-Invariant Spectral modeling API

The Spectral Physics Environment for Advanced Remote Sensing (SPEARS) application programming interface (API) is a Python-based, line-by-line, local thermal equilibrium (LTE) spectral modeling code which is optimized for simultaneously synthesizing optical spectra from any combination of fundamental spectroscopic databases. In this article, we contribute two novel spectral modeling techniques to the scientific literature. First we describe how SPEARS integrates a physics-based collisional model for calculating pressure broadening in the absence of available broadening coefficients. With this collisional model implementation, a generalized approach to fundamental spectroscopic databases can be achieved across multiple databases. We also detail our adaptive grid mesh algorithm developed to make the code scalable for simulating large spectral bandwidths at high spectral fidelity using intuitive grid parameters. Here, we present comparisons to other modeling tools, experiments, and provide a discussion on the SPEARS user interface.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Multiscale modeling and laser diagnostics to reveal non-equilibrium reaction chemistry at a plasma-liquid interface

Low-temperature, atmospheric-pressure plasmas in contact with liquid are at the core of a wide range of applications including water treatment, medicine, materials synthesis, and chemical transformation. In general, plasma-liquid processes are scientifically compelling because reactivity can be produced without a catalyst, in relatively inert molecules, such as air or nitrogen and liquid water, in their native states at ambient conditions. However, reactions at a plasma-liquid interface are extremely complex, occurring at a multiphase, gas-liquid boundary where excited or dissociate gaseous species dissolve and react with solution-phase species, and unique reaction pathways are induced by non-equilibrium chemistry. In particular, detailed knowledge of the physical and chemical processes, including what species are produced in the gas phase and how these species are subsequently transported across and react near the interfacial region, remains largely unanswered. In this project, modeling of the non-equilibrium reaction chemistry at the interface of low-temperature, atmospheric-pressure plasmas and liquid water is developed, supported by advanced laser diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Nebular Models of Sub-Chandrasekhar Mass Type Ia Supernovae: Clues to the Origin of Ca-rich Transients

In this work we use non-local thermal equilibrium radiative transport modeling to examine observational signatures of sub-Chandrasekhar mass double detonation explosions in the nebular phase. Results range from spectra that look like typical and subluminous Type Ia supernovae (SNe) for higher mass progenitors to spectra that look like Ca-rich transients for lower mass progenitors. This ignition mechanism produces an inherent relationship between emission features and the progenitor mass as the ratio of the nebular [Ca II ]/[Fe III ] emission lines increases with decreasing white dwarf mass. Examining the [Ca II ]/[Fe III ] nebular line ratio in a sample of observed SNe we find further evidence for the two distinct classes of SNe Ia identified in Polin et al. by their relationship between Si ii velocity and B-band magnitude, both at time of peak brightness. This suggests that SNe Ia arise from more than one progenitor channel, and provides an empirical method for classifying events based on their physical origin. Furthermore, we provide insight to the mysterious origin of Ca-rich transients. Low-mass double detonation models with only a small mass fraction of Ca (1%) produce nebular spectra that cool primarily through forbidden [Ca II ] emission.

79 ASTRONOMY AND ASTROPHYSICS↗