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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

The stability of thick, self-gravitating disks in protostellar systems

Using numerical hydrodynamics techniques, we perform a nonlinear stability analysis of accretion disk systems that contain thick, self-gravitating disks. The systems are initially represented by a point mass M(sub c) at the center and a geometrically thick, axisymmetric disk of mass M(sub d) that supports uniform specific angular momentum and obeys an n = 3/2, polytropic equation of state. The equilibrium disk structure is uniquely defined upon the specification of two key dimensionless system parameters: M(sub d)/M(sub c) and T/absolute value of W (the ratio of rotational kinetic energy if the disk to the gravitational potential energy of the system). The focus of this work is on the identification of systems within this two-dimensional parameter space that are marginally unstable toward the development of nonaxisymmetric distortions. The geometric form and relative pattern speed of the disk's distortion as well as the likelihood of disk fragmentation as a result of such instabilities is examined, particularly in the context of protostellar systems. The value of T/absolute value of W at which thick disks first become dynamically unstable to nonaxisymmetric distortions is found to vary significantly with the mass ratio of the accertion disk system. Nonaxisymmetric eigenmodes with four distinctly different characters are identified in systems with mass ratios in the range 0.2 less than or equal to (M(sub d)/M(sub c)) less than or equal to 5.

Woodward, John W.↗
DOE OSTI2024

Adsorption of terbium (III) on DGA and LN resins: Thermodynamics, isotherms, and kinetics

Two commercially available extraction chromatography (EXC) resins containing N,N,N’,N’-tetra-n-octyldiglycolamide (DGA Resin, Normal, 50 – 100 μm) and Bis(2-ethylhexyl) phosphate (LN Resin, 100 – 150 μm) were used as adsorbents to study fundamental adsorption properties such as thermodynamic values, equilibrium isotherms, and kinetic uptake models for terbium(III) adsorption. Weight distribution ratios (D w ) for terbium on DGA and LN resins were measured using a [ 160 Tb]Tb 3+ radiometric tracer in nitric acid as a function of acidity, temperature, initial analyte concentration, and equilibrium time. The D w values showed increasing binding affinity for DGA resin at high nitric acid concentrations and decreasing binding affinity for LN resins. Thermodynamic studies for DGA and LN resins revealed that the Gibbs free energy (ΔG) increased consistently with temperature. To model equilibrium data, increasingly higher parameter equilibrium isotherm models (Henry (1) < Langmuir, Freundlich (2) < Redlich-Peterson (3) < Fritz-Schluender (4)) were compared on their root mean squared errors (RMSE) and adjusted determination coefficients to determine the most applicable model. In all cases, the empirical four-parameter Fritz-Schluender isotherm demonstrated a superior fit. Similar comparisons for reaction-based kinetic models (Pseudo-first-order < Pseudo-second-order < Pseudo-n-order) revealed that the higher-order PNO model yielded a superior fit of kinetic data for both resins. Furthermore, in some cases, adsorption isotherms and kinetic models could also be modeled by a lower-order model with minimal change in error parameters. Weber-Morris plots revealed that two linear sections are observed for each resin, where the first linear segment is attributed to fast (film diffusion) adsorption of terbium, followed by slower intraparticle diffusion of terbium through the pores as the rate-limiting step. Based on the Weber-Morris plot, both film and intraparticle diffusion are involved in controlling the kinetic rate of adsorption for DGA and LN resins.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Evaluated 238 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 238 U from 800 keV to MeV. This evaluation had to be re-done from “scratch” as the input to previous $\overline{v}_p$ evaluations, specifically ENDF/B-VIII.0, was not found. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. The new evaluated 238 U $\overline{v}_p$ based on only experimental data differs distinctly from ENDF/B-VIII.0 $\overline{v}_p$ from 2 to 4.5 MeV, and from 6 to 7 MeV, and is otherwise similar. The difference from 2 to 4.5 MeV stems from the fact that ENDF/B-VIII.0 was tweaked in this energy range to data of Frehaut, while two other, equally trustworthy, data sets would indicate an evaluated 238 U $\overline{v}_p$ that is up to 2% higher. Also, second chance fission in ENDF/B-VIII.0 was smoothed over from 6–7 MeV. Another major difference to ENDF/B-VIII.0 is that one of the evaluations presented here includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to validate the new 238 U $\overline{v}_p$ by using CGMF parameters obtained from fitting to experimental 238 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data for some observables, but are farther away from experimental data related to TKE observables. In addition to that, the evaluated 238 U(n,f) $\overline{v}_p$ shows similar deviations from ENDF/B-VIII.0 as for the evaluation with only experimental data. This difference is expected to lead to changes in simulated effective neutron multiplication factor, $k_{eff}$ of ICSBEP critical assemblies that are sensitive to 238 U in the fast range (BigTen, Flattop, Flattop-Pu). These changes in $k_{eff}$ need to be counter-balanced. Chi-Nu PFNS experimental data are expected to be released in the next few months that might lead to the needed changes in the PFNS. Until then, we hold off in benchmarking the new 238 U(n,f) $\overline{v}_p$ as well as submitting it to ENDF/B-VIII.1. Also, new high-precision 238 U $\overline{v}_p$ are expected to be measured by the CEA in the next two years that will shed further light on question on 238 U $\overline{v}_p$ from 2–4.5 and 6–7 MeV.

238U↗
DOE OSTI2021

Cell dynamics simulations of coupled charge and magnetic phase transformation in correlated oxides

In this work, we present a comprehensive numerical study on the kinetics of phase transition that is characterized by two nonconserved scalar order parameters coupled by a special linear-quadratic interaction. This particular Ginzburg-Landau theory has been proposed to describe the coupled charge and magnetic transition in nickelates and the collinear stripe phase in cuprates. The inhomogeneous state of such systems at low temperatures consists of magnetic domains separated by quasimetallic domain walls where the charge order is reduced. By performing large-scale cell dynamics simulations, we find a two-stage phase-ordering process in which a short period of independent evolution of the two order parameters is followed by a correlated coarsening process. The long-time growth and coarsening of magnetic domains is shown to follow the Allen-Cahn power law. We further show that the nucleation-and-growth dynamics during phase transformation to the ordered states is well described by the Kolmogorov-Johnson-Mehl-Avrami theory in two dimensions. On the other hand, the presence of quasimetallic magnetic domain walls in the ordered states gives rise to a very different kinetics for transformation to the high-temperature paramagnetic phase. In this scenario, the phase transformation is initiated by the decay of magnetic domain walls into two insulator-metal boundaries, which subsequently move away from each other. Implications of our findings to recent nano-imaging experiments on nickelates are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

TRANSP-TGLF core predictive modeling of the JET DT baseline scenario

In recent years, an intense modeling activity has been focused on preparing and analyzing the second JET Deuterium–Tritium (D–T) experimental campaign DTE2. Among the numerous scientific outcomes of this campaign was the unique opportunity to test and validate the state of the art of modeling tools with fusion-relevant DT plasmas using the full metallic ITER-like wall in different scenarios. This work reports on the core predictive modeling of plasma density, electron and ion temperatures (n e , T e , T i ) performed using TRANSP (Pankin et al 2025 Comput. Phys. Commun. 312 109611) coupled with Trapped Gyro-Landau Fluid (TGLF)-SAT2 (Kinsey et al 2008 Phys. Plasmas 15 055908), (Staebler et al 2021 Nucl. Fusion 61 116007) for the JET D–T baseline scenario (I p = 3.5 MA, q 95 = 3, β N < 2, with pellet pacing) (Garzotti et al 2025 Plasma Phys. Control. Fusion 67 075011). The sensitivity to different input parameters, as the $\vec{E}$ x $\vec{B}$ shear parameterization and the values of the kinetic quantities at the boundary of the prediction domain (ρ = 0.85) has been assessed, identifying the confidence interval of the prediction results. In particular, the dependence of the electron density profile on the particle source parameters has been studied, identifying the ionization source as the main cause for the density gradient under-prediction obtained by TRANSP-TGLF, reported in (Hyun-Tae et al 2023 Nucl. Fusion 63 112004).

JET↗
DOE OSTI2021

Similarity properties in capacitive radio frequency plasmas with nonlinear collision processes

Abstract Similarity laws (SL) are essential for correlating the characteristics of plasmas at different dimensional scales, which have been validated for radio frequency (rf) discharges at low pressure but under limited conditions. In this work, we evaluate the effects of nonlinear collisions (e.g. stepwise ionization) on the similarity properties in capacitive rf discharges in argon across a wide range of pressure regimes via fully kinetic particle-in-cell simulations. The SL scalings of fundamental discharge parameters, e.g. the electron power absorption and electron energy probability function, are examined with and without nonlinear collisions, respectively. Without the nonlinear collisions, the similarity scalings are found to be rigorously valid. When the nonlinear collisions are considered, the similarity properties in rf discharges still exist approximately, which indicates that the violations caused by the nonlinear collisions are still minor in the studied cases. The reasons for the effectiveness of SL scalings with nonlinear collision processes are also discussed. The results from this study confirmed the validity of similarity transformations with more complex reaction kinetics, which may promote the applicability of the SL scalings for the design and fabrications of plasma devices.

Physics↗
NASA NTRS1973

Turbulent heating of colliding streams in the solar wind.

Turbulent heating of colliding plasma streams has previously been observed in the solar wind. The original data were interpreted in terms of a fluid model. It is contended that a plasma-kinetic description is the more appropriate theoretical approach and is necessary in order to better understand the microscopic physical phenomena that underlie all fluid models. Microscopic solar-wind parameters characteristic of conditions during the observations were used, together with the quasi-linear plasma-kinetic theory, to compute the expected magnetic field and temperature enhancements in the interaction region between two counterstreaming plasma beams. The physical mechanism of excitation is the electromagnetic two-stream instability in which Alfven waves are unstable. A total field in the interaction region of about 8 gamma and a change in temperature of about 100,000 K are obtained.

Goldstein, M. L.↗
DOE OSTI2024

Electrocatalytic Effects of Au Nanoclusters in its Electrochemiluminescence Enhanced by Coreactant Tertiary Amines

Abstract Atomically precise metal nanoclusters are increasingly exploited in electrocatalysis such as water electrolysis and CO 2 reduction. The catalytic effects are generally evaluated by conventional electrochemical methods or end‐product analysis. Herein, near infrared electrochemiluminescence (ECL) of the nanoclusters is introduced as a new signaling mechanism to complement classical voltammetric analysis for elucidating essential electrocatalytic parameters. Coreactant ECL from an aqueous soluble Au 22 nanocluster (NCs) enhanced by a common pH buffer materials 4‐(2‐hydroxyethyl)‐1‐piperazineethanesulfonic acid (HEPES) and by a piperazine drug hydroxyzine (HDZ) is studied under oxidative reduction pathways. Foot of the wave analysis on voltametric features and the kinetics profiles in potential‐step experiments are studied in different nanocluster and coreactant concentrations. Benchmark parameters such as rate constants are determined under EC (Electron‐transfer‐Chemical‐reaction) mechanism as feasibility validations. Because the luminescence properties of AuNCs are sensitive to the surface ligands or adsorbents, ECL is proposed as a new signal readout for operando studies providing insights for governing reaction mechanism and kinetics during catalytic reactions. Retrospectively, mechanistic understanding of the complex multi‐step reactions during ECL generation can provide guidance for the evaluation and optimization of ECL property for better quantitative applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Cosmological parameter forecasts for a CMB-HD survey

We present forecasts on cosmological parameters for a CMB-HD survey. For a $\Lambda$CDM + $N_{eff}$ + $\sum m_\nu$ model, we find $\sigma(n_s) = 0.0013$ and $\sigma(N_{eff}) = 0.014$ using CMB and CMB lensing multipoles in the range of $\ell \in [30, 20000]$, after adding anticipated residual foregrounds, delensing the acoustic peaks, and adding DESI BAO data. This is about a factor of two improvement in ability to probe inflation via $n_s$ compared to precursor CMB surveys. The $N_{eff}$ constraint can rule out light thermal particles back to the end of inflation with 95% CL; for example, it can rule out the QCD axion in a model-independent way assuming the Universe's reheating temperature was high enough that the axion thermalized. We find that delensing the acoustic peaks and adding DESI BAO tightens parameter constraints. We also find that baryonic effects can bias parameters if not marginalized over, and that uncertainties in baryonic effects can increase parameter error bars; however, the latter can be mitigated by including information about baryonic effects from kinetic and thermal Sunyaev-Zel'dovich measurements by CMB-HD. The CMB-HD likelihood and Fisher estimation codes used here are publicly available; the likelihood is integrated with Cobaya to facilitate parameter forecasting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Impact of Molecular Design on Degradation Lifetimes of Degradable Imine-Based Semiconducting Polymers

Transient electronics are a rapidly emerging field due to their potential applications in the environment and human health. Recently, a few studies have incorporated acid-labile imine bonds into polymer semiconductors to impart transience; however, understanding of the structure–degradation property relationships of these polymers is limited. In this work, we systematically design and characterize a series of fully degradable diketopyrrolopyrrole-based polymers with engineered sidechains to investigate the impact of several molecular design parameters on the degradation lifetimes of these polymers. By monitoring degradation kinetics via ultraviolet–visible spectroscopy, we reveal that polymer degradation in solution is aggregation-dependent based on the branching point and M n , with accelerated degradation rates facilitated by decreasing aggregation. Additionally, increasing the hydrophilicity of the polymers promotes water diffusion and therefore acid hydrolysis of the imine bonds along the polymer backbone. The aggregation properties and degradation lifetimes of these polymers rely heavily on solvent, with polymers in chlorobenzene taking six times as long to degrade as in chloroform. We develop a new method for quantifying the degradation of polymers in the thin film and observe that similar factors and considerations (e.g., interchain order, crystallite size, and hydrophilicity) used for designing high-performance semiconductors impact the degradation of imine-based polymer semiconductors. We found that terpolymerization serves as an attractive approach for achieving degradable semiconductors with both good charge transport and tuned degradation properties. This study provides crucial principles for the molecular design of degradable semiconducting polymers, and we anticipate that these findings will expedite progress toward transient electronics with controlled lifetimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

3D simulation of lower-hybrid drift waves in strong guide field asymmetric reconnection in laboratory experiments

The magnetic reconnection experiment has recently seen short wavelength ([Formula: see text]) lower-hybrid waves near the electron diffusion region in strong guide field reconnection. Based on plasma parameters from the experiment, we perform a three-dimensional fully kinetic simulation in order to investigate the generation of the lower-hybrid waves and their effects on the reconnection process. We find that the low-beta regions around the reconnection site are unstable to the lower-hybrid drift instability propagating in the outflow direction, driven by the difference between the electron and ion outflows. The waves modify the electron distributions, leading to periodic opening and closing of gaps in electron velocity space, and provide a small contribution to the anomalous resistivity. Finally, the simulation results are discussed in the context of space observations and laboratory experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

maranasgroup/KETCHUP

Repository for Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the steady-state fluxes and concentrations in wild-type and perturbed metabolic networks.

Suthers, Patrick↗
DOE OSTI2022

Study of Radiative Heat Transfer and Flow Physics from Medium-scale Methanol Pool Fire Simulations [Slides]

Analysis of methanol pool fire conducted as part of validation study for SIERRA/Fuego. Radiation model was effectively calibrated by modifying radiation model parameters for methanol. Computing integrated buoyancy flux, entrainment rate, and turbulent kinetic energy allowed for evaluation of less typical quantities in this validation study. Quantities were compared with experimental data or correlations and generally showed agreement. TKE needed fine mesh to be computed accurately. Predicted flame height less sensitive to variations in mixture fraction than temperature. Mixture fraction is a preferable threshold variable for this application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Creation Synthetic Data to Train a Digital Twin to Predict Reactor Operations

Understanding techniques to strengthen the nuclear safeguards regime is crucial in preventing nuclear proliferation due to recent advancements in the nuclear energy industry such as Generation IV reactors and microreactors. Prior to the construction of a nuclear power plant, it is necessary to understand the proliferation potential of the plant's reactor. Digital twins serve as a unique solution to recognizing reactor behavior indicative of nuclear proliferation. A digital twin is defined as a virtual model that works in unison to represent a physical asset, with a transference of data between the virtual and physical assets [1]. This work serves as validation for training a digital twin on synthetic data fabricated via means of Serpent reactor physics and point kinetics equations simulations. In this case this work is based on parameters of Idaho State University's AGN-201 reactor. The synthetic data can then be utilized to train machine learning models in the future to further investigate the utility of these methods. The accuracy of the predicted data is measured against real operational data to verify the reliability of the synthetic data creation methods and decide whether these methods should be used in the future to inform inspectors of a reactor's proliferation potential.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

Plasma Dynamics and Nonthermal Particle Acceleration in 3D Nonrelativistic Magnetic Reconnection

Understanding plasma dynamics and nonthermal particle acceleration in 3D magnetic reconnection has been a long-standing challenge. In this paper, we explore these problems by performing large-scale fully kinetic simulations of multi-X-line plasmoid reconnection with various parameters in both the weak- and strong-guide-field regimes. In each regime, we have identified its unique 3D dynamics that lead to field-line chaos and efficient acceleration, and we have achieved nonthermal acceleration of both electrons and protons into power-law spectra. The spectral indices agree well with a simple Fermi acceleration theory that includes guide-field dependence. In the low-guide-field regime, the flux rope kink instability governs the 3D dynamics for efficient acceleration. The weak dependence of the spectra on the ion-to-electron mass ratio and β ($\ll$1) implies that the particles are sufficiently magnetized for Fermi acceleration in our simulations. While both electrons and protons are injected at reconnection exhausts, protons are primarily injected by perpendicular electric fields through Fermi reflections and electrons are injected by a combination of perpendicular and parallel electric fields. The magnetic power spectra agree with in situ magnetotail observations, and the spectral index may reflect a reconnection-driven size distribution of plasmoids instead of the Goldreich–Sridhar vortex cascade. As the guide field becomes stronger, the oblique flux ropes of large sizes capture the main 3D dynamics for efficient acceleration. Intriguingly, the oblique flux ropes can also experience flux rope kink instability, to drive extra 3D dynamics. This work has broad implications for 3D reconnection dynamics and particle acceleration in heliophysics and astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Stress-corrosion cracking of titanium alloys.

In the light of research material published up to May 1970, the current understanding of the experimental variables involved in the stress-corrosion cracking (SCC) behavior of titanium and its alloys is reviewed. Following a brief summary of the metallurgy and electrochemistry of titanium alloys, the mechanical, electrochemical, and metallurgical parameters influencing SCC behavior are explored with emphasis on crack growth kinetics. Macro- and microfeatures of fractures are examined, and it is shown that many transgranular SCC failures exhibit morphological and crystallographic features similar to mechanical cleavage failures. Current SCC models are reviewed with respect to their ability to explain the observed SCC behavior of titanium and its alloys. Possible methods for eliminating or minimizing stress corrosion hazards in titanium or titanium alloy components are described.

Blackburn, M. J.↗
NASA NTRS1976

Macroscopic aspects of interfacial reactions

The extent of interdiffusion and formation of new phases is determined by the constitution diagram of the alloy system, the interdiffusion coefficients of the phases present, and the thermal conditions (temperature and time) associated with the bonding process and/or subsequent use of the bonded structure. In many instance, the kinetics of interdiffusion and phase formation can be predicted from known parameters using numerical methods and computer techniques. Predictions are compared with experimentally determined parameters for a variety of metallurgical alloy systems.

Heckel, R. W.↗