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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Revisiting adiabatic fraction estimations in cumulus clouds: high-resolution simulations with a passive tracer

The process of mixing in warm convective clouds and its effects on microphysics are crucial for an accurate description of cloud fields, weather, and climate. Still, they remain open questions in the field of cloud physics. Adiabatic regions in the cloud could be considered non-mixed areas and therefore serve as an important reference to mixing. For this reason, the adiabatic fraction (AF) is an important parameter that estimates the mixing level in the cloud in a simple way. Here, we test different methods of AF calculations using high-resolution (10 m) simulations of isolated warm cumulus clouds. The calculated AFs are compared with a normalized concentration of a passive tracer, which is a measure of dilution by mixing. This comparison enables the examination of how well the AF parameter can determine mixing effects and the estimation of the accuracy of different approaches used to calculate it. Comparison of three different methods to derive AF, with the passive tracer, shows that one method is much more robust than the others. Moreover, this method's equation structure also allows for the isolation of different assumptions that are often practiced when calculating AF such as vertical profiles, cloud-base height, and the linearity of AF with height. The use of a detailed spectral bin microphysics scheme allows an accurate description of the supersaturation field and demonstrates that the accuracy of the saturation adjustment assumption depends on aerosol concentration, leading to an underestimation of AF in pristine environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Dynamic compression and spallation behavior of NbTaTiVZr high-entropy alloy

High-entropy alloys are a new class of materials with promising properties for aerospace and defense applications. The unique behavior of these materials is driven by the complex interactions between dissimilar atoms in a crystal and requires combined theoretical and experimental efforts to unlock their full potential. Here, we evaluate the relationship between the microstructure and the dynamic response of the equiatomic NbTaTiVZr alloy. Specifically, the shock Hugoniot, or equation of state, was measured up to a particle velocity of 0.5 mm μs −1 using gas gun plate impacts. Shock wave profile and incipient spallation experiments were used to characterize wave propagation and damage formation with post-mortem recovery experiments. Molecular dynamics simulations confirm the experimental findings and extend them up to 2.1 mm μs −1 particle velocity. Computational thermodynamic calculation of phase diagram simulations explain details of the material microstructure, which explains the measured strength and experimental damage patterns. Overall, this work provides detailed high-strain-rate characterization of a refractory high-entropy alloy, and more importantly, a framework and demonstration of the utility and necessity of a combined theoretical and experimental approach, outlining the importance of considering processing and manufacturing conditions when evaluating the performance of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Inertial and anisotropic pressure effects on cross-field electron transport in low-temperature magnetized plasmas

In this paper, a one-dimensional (1D) particle-in-cell Monte Carlo collision (PIC-MCC) model is developed to investigate the effects of anisotropic pressure and inertial terms due to non-Maxwellian velocity distribution functions on cross-field electron transport. The conservation of momentum is evaluated by taking the moments of the first-principles gas-kinetic equation. A steady-state discharge is obtained without any low-frequency ionization oscillations by considering an anomalous electron scattering profile. Further, the results obtained from the 1D PIC-MCC model are compared with fluid models, including the quasi-neutral drift-diffusion (DD), non-neutral DD, and full fluid moment models. The discharge current obtained from the PIC-MCC model is in good agreement with the fluid models. The cross-field electron transport due to the inertial terms, i.e. the gradient of axial and azimuthal drift, is evaluated. Moreover, PIC-MCC simulation results show non-zero, anisotropic, off-diagonal pressure tensor terms due to asymmetric non-Maxwellian electron velocity distribution function, potentially contributing to cross-field electron transport.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Drying of a Fully Saturated Porous Medium With Excess Water Layers: A Numerical Study

Abstract Drying of moist porous media can be very energy inefficient. For example, in the pulp and paper industry, paper drying consumes more than two-thirds of the total energy used in paper machines. Novel drying technologies can decrease the energy used for drying and lessen the manufacturing processes' carbon footprint. Developing next-generation drying technologies to dry moist porous media may require an understanding of removing moisture from a fully saturated porous material with excess water. This paper provides a fundamental understanding of heat and mass transfer in a fully saturated porous medium with excess water. This is relevant, for example, in drying tissue as well as pulp or paper for the purpose of thermal insulation where pressing is preferred to be avoided to overcome the reduction in the sheet thickness. For this purpose, a theoretical drying model is developed where the porous medium corresponds to paper and is assumed to be sandwiched between two excess-water layers (bottom and top). The conjugate model consists of energy and mass conservation equations for each layer. The model is validated with corresponding experimental data. In the model, the thickness of each water layer is calculated as a function of drying time based on local temperature and total moisture content. The numerical model is transient and one-dimensional in space (i.e., in the thickness direction). This paper demonstrates the governing equations, boundary conditions, and results when the saturated porous medium with water layers is heated from one side. Moisture and temperature profiles are estimated in the thickness direction of the porous medium as it dries.

Engineering↗
DOE OSTI2024

Investigation of core transport changes in DIII-D discharges with off-axis T e profile peaks

Abstract DIII-D discharges that transition to H-mode solely with off-axis electron cyclotron heating (ECH) often exhibit strong off-axis peaking of electron temperature profiles at the heating location. Electron heat transport properties near these off-axis temperature peaks have been studied using modulated ECH. The Fourier analyzed electron temperature data have been used to infer electron thermal diffusivity. Comparisons with numerical solutions of the time-dependent electron thermal equation find that the data are consistent with a narrow region with electron diffusivity χ e an order of magnitude lower than the average value across the plasma, suggesting an electron internal transport barrier (ITB) near the ECH heating location. Detailed profile analysis and equilibrium reconstructions suggest that the formation of these ITBs are correlated with off-axis values of the safety factor q being near 1. Furthermore, the ECH driven H-mode discharges demonstrate more rapid electron heating rate near the ECH deposition location than L-mode discharges with higher auxiliary ECH heating power. Additional modeling attributes this difference to the modification of electron heat transport in the core at the L-H transition, which also sustains the off-axis electron temperature peaks.

Physics↗
DOE OSTI2026

Uncertainty quantification for Joule heating processes in fibrous pore-resolved media

Joule heating (JH) is an energy-efficient and sustainable technique for heating materials. Its application for industrial heating, particularly, has been gaining attention due to its potential for increasing the yield of various chemical products. The process involves the use of heating elements (materials that are highly conductive electrically and thermally) to heat up other materials or substances. These conductors, however, can exhbit varying degrees of uncertainty due to non-linearities in their temperature-dependent properties, which could result in variable material behavior. In this work, we carry out uncertainty quantification (UQ) at the pore scale to describe the uncertainty of such materials. In so doing, we applied the non-intrusive polynomial chaos expansion (PCE) technique to quantify the uncertainty within the system. The steady state Joule heating equation was solved numerically at the pore scale mimicking conditions within a heating chamber for propane dehydrogenation, and various electro-thermal profiles were obtained. We also examined the effect of the number of sampling points (20 – 100) and order of the PCE coefficients (2 – 5) on the accuracy of the temperature evaluations. The results were then benchmarked with the standard Monte Carlo (MC) method. The average temperature of the 4th-order global PCE showed good agreement with the MC results (which were positively skewed). Orders greater than 4 gave an underestimation of the temperatures while predictions for the peak temperature improved as the number of sampling points increased.

Fagbemi, Samuel [ORNL] (ORCID:0000000236995025)↗
DOE OSTI2024

Simultaneous measurement of surface velocity and plasma density with interferometric velocimetry

The apparent velocity measured by an interferometric surface velocimeter is a function of both the surface velocity and the time derivative of the refractive index along the measurement path. We employed this dual sensitivity to simultaneously measure km/s surface velocities and 10 18 cm -3 average plasma densities with combined VISAR (velocity interferometer system for any reflector) and PDV (photonic Doppler velocimetry) measurements in experiments performed on the Z Pulsed Power Facility. We detail the governing equations, associated assumptions, and analysis specifics and show that the surface velocity can be extracted without knowledge of the specific plasma density profile.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Atmospheric Profile Builder

APBuilder is a software tool designed to generate atmospheric profiles for use with AC2Dr by downloading weather model data and transforming it into 1D or 2D binary profiles. These binary profiles serve as required inputs for AC2Dr, an LLNL-developed, open source, two-dimensional numerical solver for the acoustic wave equation based on the finite difference method.

Kim, Keehoon [Lawrence Livermore National Laborato↗
DOE OSTI2023

Measuring Galactic dark matter through unsupervised machine learning

ABSTRACT Measuring the density profile of dark matter in the Solar neighbourhood has important implications for both dark matter theory and experiment. In this work, we apply autoregressive flows to stars from a realistic simulation of a Milky Way-type galaxy to learn – in an unsupervised way – the stellar phase space density and its derivatives. With these as inputs, and under the assumption of dynamic equilibrium, the gravitational acceleration field and mass density can be calculated directly from the Boltzmann equation without the need to assume either cylindrical symmetry or specific functional forms for the galaxy’s mass density. We demonstrate our approach can accurately reconstruct the mass density and acceleration profiles of the simulated galaxy, even in the presence of Gaia-like errors in the kinematic measurements.

Astronomy & Astrophysics↗
DOE OSTI2024

New insights into supradense matter from dissecting scaled stellar structure equations

The strong-field gravity in general relativity (GR) realized in neutron stars (NSs) renders the equation of state (EOS) P(ε) of supradense neutron star matter to be essentially nonlinear and refines the upper bound for Φ ≡ P/ε to be much smaller than the special relativity (SR) requirement with linear EOSs, where P and ε are respectively the pressure and energy density of the system considered. Specifically, a tight bound Φ ≲ 0.374 is obtained by perturbatively anatomizing the intrinsic structures of the scaled Tolman–Oppenheimer–Volkoff (TOV) equations without using any input nuclear EOS. New insights gained from this novel analysis provide EOS-model-independent constraints on the properties (e.g., density profiles of the sound speed squared s 2 = dP/dε and trace anomaly Δ = 1/3 – Φ) of cold supradense matter in NS cores. Using the gravity-matter duality in theories describing NSs, we investigate the impact of gravity on supradense matter EOS in NSs. In particular, we show that the NS mass M NS , radius R, and compactness ξ ≡ M NS /R scale with certain combinations of its central pressure and energy density (encapsulating its central EOS). Thus, observational data on these properties of NSs can straightforwardly constrain NS central EOSs without relying on any specific nuclear EOS model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Neoclassical transport and profile prediction in transport barriers

Strong gradient regions in tokamaks, such as the pedestal or internal transport barriers, are regions of reduced turbulence where neoclassical transport can play a dominant role. However, standard neoclassical transport theory assumes that the gradient length scales of density, temperature, and potential are of the order of the system size. In the pedestal, gradient length scales are much shorter and are measured to be of the order of the ion poloidal gyroradius. We present an extension of neoclassical theory that is applicable in transport barriers of large aspect ratio tokamaks. We show that particle and momentum transport are connected in such a way that a source of parallel momentum can drive a significant neoclassical ion particle flux. In strong gradient regions, density, electric potential, mean parallel flow, and ion temperature are shown to no longer be flux functions. Instead, they have a small but important poloidally varying piece that modifies the transport equations to lowest order. This introduces a nonlinearity in the transport problem through the coupling with quasineutrality that yields multiple co-existing solutions when solving for the plasma profiles. The different solutions could be connected to low and high transport states and jumps between solutions could provide a new neoclassical explanation for H-L back-transitions.

Trinczek, Silvia [Princeton Plasma Physics Laborat↗
DOE OSTI2020

Multi-scale model based design of membrane reactor/separator processes for intensified hydrogen production through the water gas shift reaction

This paper aims to first quantify the impact of various diffusion models (Maxwell-Stefan, Wilke, Dusty-Gas) on the predictions of a multi-scale membrane reactor/separator mathematical model, and to then demonstrate this model's use for the design and process intensification of membrane reactor/separator systems for hydrogen production. This multi-scale model captures velocity, temperature and species' concentration profiles along the catalyst pellet's radial direction, and along the reactor's axial direction, by solving the momentum, energy, and species transport equations, accounting for convection, conduction, reaction, and diffusion mechanisms. In the first part of work, the effect of pellet-scale design parameters (mean pore diameter, volumetric porosity, tortuosity factor, etc.) and various species' flux models on the model predictions is studied. In the second part, the study focuses on the comparison, in terms of their process intensification characteristics, of various hydrogen production processes. These include a conventional high-temperature shift reactor (HTSR)/low-temperature shift reactor (LTSR) sequence, a novel HTSR/membrane separator (MS)/LTSR/MS sequence, and a process that involves low-temperature shift membrane reactors-LTSMR in a series.

08 HYDROGEN↗
DOE OSTI2026

Comprehensive analytical model of the dynamic 𝑍 pinch

In this work we present an analytical 1D axisymmetric model describing the evolution of the dynamic 𝑍 pinch. This model is capable of predicting the trajectories of the imploding sheath's magnetic piston and preceding shock front, along with the velocity, pressure, density, and magnetic field profiles, for any time-dependent current, spatially varying initial density profile, and weak initial axial field. The implosion is divided into stages, with each stage described by a set of coupled ordinary differential equations derived from the ideal MHD equations. Comparisons with experimental data from the COBRA pulsed-power facility are quite promising and imply this model could prove useful in designing and analyzing future pulsed-power experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A novel physics-based and data-supported microstructure model for part-scale simulation of laser powder bed fusion of Ti-6Al-4V

The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a novel physics-based and data-supported phenomenological microstructure model for Ti-6Al-4V is proposed that is suitable for the part-scale simulation of laser powder bed fusion processes. The model predicts spatially homogenized phase fractions of the most relevant microstructural species, namely the stable β-phase, the stable α s -phase as well as the metastable Martensite α m -phase, in a physically consistent manner. In particular, the modeled microstructure evolution, in form of diffusion-based and non-diffusional transformations, is a pure consequence of energy and mobility competitions among the different species, without the need for heuristic transformation criteria as often applied in existing models. The mathematically consistent formulation of the evolution equations in rate form renders the model suitable for the practically relevant scenario of temperature- or time-dependent diffusion coefficients, arbitrary temperature profiles, and multiple coexisting phases. Due to its physically motivated foundation, the proposed model requires only a minimal number of free parameters, which are determined in an inverse identification process considering a broad experimental data basis in form of time-temperature transformation diagrams. Subsequently, the predictive ability of the model is demonstrated by means of continuous cooling transformation diagrams, showing that experimentally observed characteristics such as critical cooling rates emerge naturally from the proposed microstructure model, instead of being enforced as heuristic transformation criteria. Eventually, the proposed model is exploited to predict the microstructure evolution for a realistic selective laser melting application scenario and for the cooling/quenching process of a Ti-6Al-4V cube of practically relevant size. Numerical results confirm experimental observations that Martensite is the dominating microstructure species in regimes of high cooling rates, e.g., due to highly localized heat sources or in near-surface domains, while a proper manipulation of the temperature field, e.g., by preheating the base-plate in selective laser melting, can suppress the formation of this metastable phase.

Inverse parameter identification↗
DOE OSTI2020

Big-Data-Driven Geo-Spatiotemporal Correlation Analysis between Precursor Pollen and Influenza and its Implication to Novel Coronavirus Outbreak

Although studies of many respiratory viruses and pollens are often framed by both seasonal and health related perspectives, pollen has yet to be extensively examined as an important covariate to seasonal respiratory viruses (SRVs) in any context, including a causal one. This study contributes to those goals through an investigation of SRVs and pollen counts at selected regions across the Western Hemisphere. Two complementary decadal-scaled geospatial profiles were developed. One laterally spanned the US and was anchored by detailed pollen information for Albuquerque, New Mexico. The other straddled the equator to include Fortaleza, Brazil. We found that the geospatial and climatological patterns of pollen advancement and decline across the US every year presented a statistically significant correlation to the subsequent emergence and decline of SRVs. Other significant covariates included winds, temperatures, and atmospheric moisture. Our study indicates that areas of the US with lower geostrophic wind baselines are typically areas of persistently higher and earlier influenza like illness (ILI) cases. In addition to that continental- scaled contrast, many sites indicated seasonal highs of geostrophic winds and ILI which were closely aligned. These observations suggest extensive scale-dependent connectivity of viruses to geostrophic circulation. Pollen emergence and its own scale-dependent circulation may contribute to the geospatial and seasonal patterns of ILI. We explore some uncertainties associated with this investigation, and consider the possibility that in a temperate climate, following a Spring pollen emergence, a resulting increase in pollen triggered human Immunoglobulin E (IgE) antibodies may suppress ILIs for several months.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Shock initiation of low density polymer bonded explosive LX-14: A study of two morphologies

A series of six shock initiation experiments have been carried out on low density LX-14 powder in order to simulate a shock insult on the heavily damage polymer bonded explosive, LX-14. Two distinct morphologies were studied (tap density molding powder and machined swarf), both at the same density of 0.942 g/cm 3 , or 50.1% theoretical maximum density. The purpose of these experiments was to provide data to help make an assessment of the effects that damage has on the material sensitivity to a planar shock. This was achieved primarily by providing shock sensitivity data in the form of a Pop plot, and also reactants equation of state data, which aids in the determination of input conditions for both the experiments performed in this work and also future experiments of this material type. The experiments were of a cut-back format, consisting of four sample heights on each shot and diagnosed with optical velocimetry. The experiments were carried out at the Technical Area 40 Chamber 9 gas gun facility at the Los Alamos National Laboratory, where the LX-14 targets were subjected to Al 6061 and Oxygen Free High Conductivity copper impactors launched to velocities up to 2.14 km/s. Time corrected reactive growth wave profiles are presented in this paper along with the derivation of the following Hugoniot parameters for this explosive, where the molding powder and machine swarf are represented by the following linear equations, respectively, U s = 1.64 (±0.64)u p + 2.25 (±0.49) and U s = 0.87 (±.0.60)u p + 4.08 (±0.49). The results show that the steady increase in shock sensitivity with increasing void fraction reaches an inflection point beyond which the shock sensitivity begins to decease. This inflection point lies between 65% and 50% of the theoretical maximum density of the LX-14. In both cases, the damaged LX-14 was not as sensitive as expected, with a relative shock sensitivity of the molding powder being less than the pressed LX-14, and the machined swarf having a shock sensitivity that is comparable to pressed LX-14.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Description of reaction and vibrational energetics of CO 2 –NH 3 interaction using quantum computing algorithms

CO 2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO 2 . Thus, it is crucial to study the chemical absorption of CO 2 by amine-based solvents to better understand and optimize CO 2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO 2 and a simplified amine-based solvent model—NH 3 . Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular vibrational calculations by including anharmonicity. We implement a variational quantum eigensolver (VQE) algorithm in a quantum simulator to calculate ground state vibrational energies of reactants and products of the CO 2 and NH 3 reaction. The VQE calculations yield ground vibrational energies of CO 2 and NH 3 with similar accuracy to classical computing. In the presence of hardware noise, Compact Heuristic for Chemistry (CHC) ansatz with shallower circuit depth performs better than Unitary Vibrational Coupled Cluster. The “Zero Noise Extrapolation” error-mitigation approach in combination with CHC ansatz improves the vibrational calculation accuracy. Excited vibrational states are accessed with quantum equation of motion method for CO 2 and NH 3 . Using quantum Hartree–Fock (HF) embedding algorithm to calculate electronic energies, the corresponding reaction profile compares favorably with Coupled Cluster Singles and Doubles while being more accurate than HF. Our research showcases quantum computing applications in the study of CO 2 capture reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Profiling the molecular destruction rates of temperature and humidity as well as the turbulent kinetic energy dissipation in the convective boundary layer

A simultaneous deployment of Doppler, temperature, and water-vapor lidars is able to provide profiles of molecular destruction rates and turbulent kinetic energy (TKE) dissipation in the convective boundary layer (CBL). Horizontal wind profiles and profiles of vertical wind, temperature, and moisture fluctuations are combined, and transversal temporal autocovariance functions (ACFs) are determined for deriving the dissipation and molecular destruction rates. These are fundamental loss terms in the TKE as well as the potential temperature and mixing ratio variance equations. These ACFs are fitted to their theoretical shapes and coefficients in the inertial subrange. Error bars are estimated by a propagation of noise errors. Sophisticated analyses of the ACFs are performed in order to choose the correct range of lags of the fits for fitting their theoretical shapes in the inertial subrange as well as for minimizing systematic errors due to temporal and spatial averaging and micro- and mesoscale circulations. We demonstrate that we achieve very consistent results of the derived profiles of turbulent variables regardless of whether 1 or 10 s time resolutions are used. We also show that the temporal and spatial length scales of the fluctuations in vertical wind, moisture, and potential temperature are similar with a spatial integral scale of ≈160 m at least in the mixed layer (ML). The profiles of the molecular destruction rates show a maximum in the interfacial layer (IL) and reach values of ϵ m ≃ 7 x 10 -4 g 2 kg −2 s −1 for mixing ratio and ϵ θ ≃ 1.6 x 10 -3 K 2 s −1 for potential temperature. In contrast, the maximum of the TKE dissipation is reached in the ML and amounts to ≃ 10 -2 m 2 s −3 . We also demonstrate that the vertical wind ACF coefficient k w ∝ $\overline{w'^{2}}$ and the TKE dissipation ϵ ∝ ($\overline{w'^{2}}$) 3/2 . For the molecular destruction rates, we show that ϵ m ∝ $\overline{m'^{2}}$ ($\overline{w'^{2}}$) 1/2 and ϵ θ ∝ $\overline{θ'^{2}}$ ($\overline{w'^{2}}$) 1/2 . These equations can be used for parameterizations of ϵ, ϵ m , and ϵ θ . All noise error bars are derived by error propagation and are small enough to compare the results with previous observations and large-eddy simulations. The results agree well with previous observations but show more detailed structures in the IL. Consequently, the synergy resulting from this new combination of active remote sensors enables the profiling of turbulent variables such as integral scales, variances, TKE dissipation, and the molecular destruction rates as well as deriving relationships between them. The results can be used for the parameterization of turbulent variables, TKE budget analyses, and the verification of large-eddy simulations.

dissipation rate↗