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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Shock-driven dispersal of a corrugated finite-thickness particle layer

A research area emerging in the multiphase flow community is the study of shock-driven multiphase instability (SDMI), a gas–particle analog of the traditional fluid-fluid Richtmyer–Meshkov instability (RMI). In this work, we study the interaction of planar air shocks with corrugated glass particle curtains through the use of numerical simulations with an Eulerian–Lagrangian approach. One objective of this study is to compare the simulated particle curtains to a comparable set of shock tube experiments performed to analyze traditional RMI of a gas curtain. The simulations are set to match the experimental shock Mach numbers and perturbation wavelengths (3.6 and 7.2 mm) while also matching the Atwood number of the experiments to the multiphase Atwood number of the simulations. Varying particle diameters are tested in the simulations to explore the impact of particle diameter on the evolution of the particle curtain. This simulation setup allows for a one-to-one comparison between RMI and SDMI under comparable conditions while also allowing for a separate study into the validity of the use of the multiphase Atwood number to compare the single-phase and multiphase instabilities. In particular, we show that the comparison depends on the diameter of the particles (thus, dependent on the Stokes number of the flow). A second objective of this study is to analyze the effect of the initial particle volume fraction on the evolution of the curtain and the behavior of the instability. This is done through analyzing the effect of the multiphase terms of the vorticity evolution equation on the vorticity deposition in SDMI. Also discussed is the effect of the particle diameter on the multiphase generation terms as well as in the baroclinic vorticity generation term in SDMI as the shock passes over the curtain.

42 ENGINEERING↗
DOE OSTI2022

Taylor wave solution for a general equation of state

This document describes a solution procedure for calculating the Taylor wave behind an unsupported Chapman–Jouguet (CJ) detonation in planar, cylindrical, and spherical geometries given a general equation of state. The resulting semi-analytic solution can be utilized to examine new equation of state models for detonation products and during the verification of hydrodynamic codes. The governing partial differential equations are reduced to ordinary differential equations in both characteristic and self-similar forms. The first-order systems corresponding to each geometry are amenable to solution numerically using commonly available methods. A difficulty arises at the CJ point in radial coordinates where the similarity equations become singular. Two separate strategies are proposed to integrate the first-order system. The first one uses an asymptotic approximation near the CJ point that can be used to perturb the boundary conditions. The second one applies a change of variables which removes the singularity at the expense of an additional equation to be integrated. A test problem is provided for the Davis products equation of state to illustrate the qualitative features of the Taylor wave in each geometric configuration and compared with a Lagrangian hydrodynamics research code. A Python code listing gives an implementation using the SciPy library to assists users in generating the results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Self-interacting Dark Matter Solution to the Extreme Diversity of Low-mass Halo Properties

Abstract The properties of low-mass dark matter (DM) halos appear to be remarkably diverse relative to cold, collisionless DM predictions, even in the presence of baryons. We show that self-interacting DM (SIDM) can simultaneously explain observations of halo diversity at two opposite extremes—the inner density profile of the dense substructure perturbing the strong lens galaxy SDSSJ0946+1006 and the rotation curves of isolated, gas-rich ultradiffuse galaxies (UDGs). To achieve this, we present the first cosmological zoom-in simulation featuring strong DM self-interactions in a galaxy group environment centered on a 10 13 M ⊙ host halo. In our SIDM simulation, most surviving subhalos of the group-mass host are deeply core-collapsed, yielding excellent candidates for the observed dense strong-lens perturber. Self-interactions simultaneously create kiloparsec-scale cores in low-concentration isolated halos, which could host the observed UDGs. Our scenario can be further tested with observations of DM structure and galaxies over a wide mass range.

Astronomy & Astrophysics↗
DOE OSTI2025

Loss Landscape Analysis for Reliable Quantized ML Models for Scientific Sensing

In this paper, we propose a method to perform empirical analysis of the loss landscape of machine learning (ML) models. The method is applied to two ML models for scientific sensing, which necessitates quantization to be deployed and are subject to noise and perturbations due to experimental conditions. Our method allows assessing the robustness of ML models to such effects as a function of quantization precision and under different regularization techniques -- two crucial concerns that remained underexplored so far. By investigating the interplay between performance, efficiency, and robustness by means of loss landscape analysis, we both established a strong correlation between gently-shaped landscapes and robustness to input and weight perturbations and observed other intriguing and non-obvious phenomena. Our method allows a systematic exploration of such trade-offs a priori, i.e., without training and testing multiple models, leading to more efficient development workflows. This work also highlights the importance of incorporating robustness into the Pareto optimization of ML models, enabling more reliable and adaptive scientific sensing systems.

Baldi, Tommaso [Pisa, Scuola Normale Superiore]↗
DOE OSTI2020

Sooting tendencies of 20 bio-derived fuels for advanced spark-ignition engines

The sooting tendencies of 20 bio-derived fuels indicated as potential blendstocks for spark-ignition engines by the Co-Optimization of Fuels & Engines (Co-Optima) Initiative are studied. The Yield Sooting Index (YSI) is used to quantify the sooting tendencies. The Co-Optima Chemical Model is used to predict the numerical YSIs for all test fuels, and these results are compared with measurements. Experimental YSIs are newly measured for 2 furans and are taken from our previous work for the other compounds. Overall, the predicted YSIs agree well with measurements, within the experimental uncertainties, except for 2,5-dimethylfuran (2,5-DMF). It is found that Polycyclic Aromatic Hydrocarbons (PAH) growth reactions have little influence on the relative soot production from each fuel and therefore on YSI predictions. A modified sensitivity coefficient formulation is proposed to evaluate reaction sensitivities specifically for YSI. This formulation is applied to the 2,5-DMF-doped flame, and six 2,5-DMF initial decomposition reactions, which lead to different major soot precursors, are identified as the most sensitive reactions. The impact of the chemical kinetic uncertainties embedded in these reactions is quantified by randomly perturbing their reaction rates within a factor of two. The resulting prediction uncertainty in the 2,5-DMF-doped flame is found to be ± 8 YSI units (±11%), which demonstrates that the test-fuel-specific decomposition reactions indeed have considerable influence on its YSI prediction. Our research suggests that more accurate kinetic parameters for fuel initial decomposition reactions can potentially improve YSI predictions effectively, without altering the YSI predictions of other fuels with significantly different molecular structures.

09 BIOMASS FUELS↗
DOE OSTI2022

Non-Gaussianity constraints with anisotropic μ distortion measurements from Planck

ABSTRACT Primordial non-Gaussianity can source μ-distortion anisotropies that are correlated with the large-scale temperature and polarization signals of the cosmic microwave background (CMB). A measurement of μT and μE correlations can therefore be used to constrain it on wavelengths of perturbations not directly probed by the standard CMB anisotropies. We carry out a first rigorous search for μ-distortion anisotropies with Planck data, applying the well-tested constrained ILC component-separation method combined with the needlet framework. We correlate the reconstructed μ map with the CMB anisotropies to derive constraints on the amplitude fNL of the local form bispectrum, specifically on the squeezed configurations with effective wavenumbers $k_s \simeq {740}\, \mathrm{Mpc^{-1}}$ and $k_L \simeq {0.05}\, \mathrm{Mpc^{-1}}$, improving previously estimated constraints by more than an order of magnitude. This enhancement is owing to the fact that we are able to use the full multipole information by carefully controlling biases and systematic effects in the analysis. We also for the first time incorporate constraints from measurements of μE correlations, which further tighten the limits. A combination of the derived Planck μT and μE power spectra yields |fNL| ≲ 6800 (95 per cent c.l.) on this highly squeezed bispectrum. This is only ≃3 times weaker than the anticipated constraint from Litebird. Furthermore we show that a combination of Litebird with Planck can improve the expected future constraint by ${\simeq}20{{\%}}$. These limits can be used to constrain multifield inflation models and primordial black hole formation scenarios, thus providing a promising novel avenue forward in CMB cosmology.

Rotti, Aditya (ORCID:0000000341245226)↗
DOE OSTI2024

Overview of On-Line Optical Measurements at High Pressure for Flue Gases, Particulates and Acid-dew Point of Pressurized Oxy-Combustion

Optical flow cells are critical measurement interfaces, yet sampling under harsh conditions — high pressure, high temperature, particles, moisture, or corrosive gases — makes it difficult to maintain optical quality without perturbing the measurement. To address this challenge, a new flow cell was developed using a laminar coaxial flow field that separates the purge and sample flows. A dedicated test system was built to evaluate particle size distribution (PSD) measurements using a Malvern Panalytical Insitec analyzer. Results demonstrated that the sample flow alone defines the measurement zone, while the purge flow effectively shields the optical windows from deposition, eliminating sampling bias. The flow cell enables reliable PSD measurement under high pressure and temperature in moist, corrosive environments. As a key demonstration, the instrument was successfully deployed for on-line PSD measurement of flue gas from a 100 kWth pressurized oxy-coal combustor at 15 bara.

Cheng, Mao↗
DOE OSTI2021

Microbial community response to a decade of simulated global changes depends on the plant community

Global changes such as increased drought and atmospheric nitrogen deposition perturb both the microbial and plant communities that mediate terrestrial ecosystem functioning. However, few studies consider how microbial responses to global changes may be influenced by interactions with plant communities. To begin to address the role of microbial–plant interactions, we tested the hypothesis that the response of microbial communities to global change depends on the plant community. We characterized bacterial and fungal communities from 395 plant litter samples taken from the Loma Ridge Global Change Experiment, a decade-long global change experiment in Southern California that manipulates rainfall and nitrogen levels across two adjacent ecosystems, a grassland and a coastal sage scrubland. The differences in bacterial and fungal composition between ecosystems paralleled distinctions in plant community composition. In addition to the direct main effects, the global change treatments altered microbial composition in an ecosystem-dependent manner, in support of our hypothesis. The interaction between the drought treatment and ecosystem explained nearly 5% of the variation in bacterial community composition, similar to the variation explained by the ecosystem-independent effects of drought. Unexpectedly, we found that the main effect of drought was approximately four times as strong on bacterial composition as that of nitrogen addition, which did not alter fungal or plant composition. Overall, the findings underscore the importance of considering plant–microbe interactions when considering the transferability of the results of global change experiments across ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Field-theoretic analysis of hadronization using soft drop jet mass

One of the greatest challenges in quantum chromodynamics is understanding the hadronization mechanism, which is also crucial for carrying out precision physics with jet substructure. In this paper, we bring together recent advancements in our understanding of nonperturbative structure of the soft drop jet mass based on field theory, with precise perturbative calculations at next-to-next-to-leading logarithmic accuracy of its multidifferential variants. This allows for a model-independent analysis of power corrections associated with hadronization in a systematic manner. We test and calibrate hadronization models and their interplay with parton showers by comparing our universality predictions with various event generators for quark and gluon initiated jets in both lepton-lepton and hadron-hadron collisions. Our findings reveal that hadronization models perform better for quark jets relative to gluon jets. Our results provide a valuable toolbox for precision studies with the soft drop jet mass and pave the way for future analyses using real-world collider data. The stringent constraints derived in our framework are useful for improving the modeling of hadronization and its interplay with parton showers in next-generation event generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Introducing the embedded random phase approximation: H 2 dissociative adsorption on Cu(111) as an exemplar

The random phase approximation (RPA) as a means of treating electron correlation recently has been shown to outperform standard density functional theory (DFT) approximations in a variety of cases. However, the computational cost of the RPA is substantially more than DFT, especially when aiming to study extended surfaces. Properly accounting for sufficient surface ensemble size, Brillouin zone sampling, and vacuum separation of periodic images in standard periodic-planewave-based DFT code raises the cost to achieve converged results. Here, we show that sub-system embedding schemes enable use of the RPA for modeling heterogeneous reactions at reduced computational cost. Further, we explore two different embedded RPA (emb-RPA) approaches, periodic emb-RPA and cluster emb-RPA. We use the (experimentally and theoretically) well-studied H 2 dissociative adsorption on Cu(111) as our exemplar, and first perform full periodic RPA calculations as a benchmark. The full RPA results match well the semi-empirical barrier fit to experimental observables and others derived from high-level computations, e.g., from recent embedded n-electron valence second order perturbation theory [Zhao et al., J. Chem. Theory Comput. 16(11), 7078–7088 (2020)] and quantum Monte Carlo [Doblhoff-Dier et al., J. Chem. Theory Comput. 13(7), 3208–3219 (2017)] simulations. Among the two emb-RPA approaches tested, the cluster emb-RPA accurately reproduces the energy profile (maximum error of 50 meV along the reaction pathway) while reducing the computational cost by approximately two orders of magnitude. We therefore expect that the embedded cluster approach will enable wider RPA implementation in heterogeneous catalysis.

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

Improving constraints on inflation with CMB delensing

Abstract The delensing of cosmic microwave background (CMB) maps will be increasingly valuable for extracting as much information as possible from future CMB surveys. Delensing provides many general benefits, including sharpening of the acoustic peaks, more accurate recovery of the damping tail, and reduction of lensing-inducedB-mode power. In this paper we present several applications of delensing focused on testing theories of early-universe inflation with observations of the CMB. We find that delensing the CMB results in improved parameter constraints for reconstructing the spectrum of primordial curvature fluctuations, probing oscillatory features in the primordial curvature spectrum, measuring the spatial curvature of the universe, and constraining several different models of isocurvature perturbations. In some cases we find that delensing can recover almost all of the constraining power contained in unlensed spectra, and it will be a particularly valuable analysis technique to achieve further improvements in constraints for model parameters whose measurements are not expected to improve significantly when utilizing only lensed CMB maps from next-generation CMB surveys. We also quantify the prospects of testing the single-field inflation tensor consistency condition using delensed CMB data; we find it to be out of reach of current and proposed experimental technology and advocate for alternative detection methods.

Astronomy & Astrophysics↗
DOE OSTI2022

Pure quark and gluon observables in collinear drop

We construct a class of pure quark and gluon observables by using the collinear drop grooming technique. The construction is based on linear combinations of multiple cumulative distributions of the jet mass in collinear drop, whose specific weights are fully predicted perturbatively. This yields observables which obtain their values purely from quarks (or purely from gluons) in a wide region of phase space. We demonstrate this by showing that these observables are effective in two phase space regions, one dominated by perturbative resummation and one dominated by nonperturbative effects. The nonperturbative effects are included using shape functions which only appear as a common factor in the linear combinations constructed. We test this construction using a numerical analysis with next-to-leading logarithmic resummation and various shape function models, as well as analyzing these observables with PYTHIA and VINCIA. Choices for the collinear drop parameters are optimized for experimental use.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Time-dependent-bases with local CUR decomposition method for accelerating turbulent combustion simulations

Here, this study presents a novel reduced-order modeling framework, Time-Dependent Bases with Local CUR decomposition (TDB-L-CUR), designed to efficiently and accurately approximate the species transport equations in reacting flow simulations. The method extends the existing TDB-CUR approach for chemically reacting flows (Jung et al. Comput. Methods Appl. Mech. Engrg. 437 (2025) 117758), which leverages matrix decomposition techniques to form a global-in-space, time-dependent low-dimensional manifold. While TDB-CUR performs well in homogeneous systems, it may be less well-suited to spatially heterogeneous systems such as turbulent flames, where higher-rank approximations are typically required. The proposed TDB-L-CUR framework introduces two methodological extensions to the baseline approach. First, it applies unsupervised clustering to partition the physical domain into distinct regions, enabling spatially localized manifold construction, thereby reducing the rank required for the reduced-order representation. Second, it incorporates a computational singular perturbation (CSP)-based scheme for identifying and penalizing fast species, allowing for spatio-temporally adaptive mitigation of chemical stiffness. The proposed framework is validated on a hierarchy of test cases, including a one-dimensional premixed flame, a two-dimensional nonpremixed ignition case with vortex interaction, and a three-dimensional turbulent premixed flame. TDB-L-CUR significantly improves accuracy over TDB-CUR while further reducing computational cost. The fully on-the-fly formulation of TDB-L-CUR (i.e., requiring no offline training or prior knowledge) makes it a robust and scalable tool for reduced-order modeling of reactive flows.

Local manifold↗
DOE OSTI2024

Pedestal main ion particle transport inference through gas puff modulation with experimental source measurements

Abstract Transport in the DIII-D high confinement mode (H-mode) pedestal is investigated through a periodic edge gas puff modulation (GPM) which perturbs the deuterium density and source profiles. By using absolutely calibrated experimental edge ionization profile measurements, radial profiles of diffusion ( D ) and convection ( v ) are calculated into the pedestal region without depending on modeling the edge ionization source. An analytic approach with closed-form expressions for the D and v profiles and a more advanced Bayesian approach show evidence of an inward particle convection on the order of 1 m s −1 extending to normalized poloidal flux ( Ψ N ) of 0.98. Meanwhile, diffusion reaches a minimum value of ( 0.03 ± 0.02 ) m 2 s −1 in the pedestal region. Notably, the Bayesian approach, which utilizes the Aurora 1.5 D forward model inside the IMPRAD OMFIT module, provides radially resolved transport profiles with associated uncertainty without requiring an explicit form for the perturbation to the density profile or source. The combination of experimental ionization measurements and Bayesian inference provides an enhanced robust framework for investigating edge particle transport coefficients to experimentally test transport physics in order to improve predictive capabilities in the tokamak edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Using an Atom Interferometer to Infer Gravitational Entanglement Generation

If gravitational perturbations are quantized into gravitons in analogy with the electromagnetic field and photons, the resulting graviton interactions should lead to an entangling interaction between massive objects. We suggest a test of this prediction. To do this, we introduce the concept of interactive quantum information sensing. This novel sensing protocol is tailored to provable verification of weak dynamical entanglement generation between a pair of systems. We show that this protocol is highly robust to typical thermal noise sources. The sensitivity can moreover be increased both using an initial thermal state and/or an initial phase of entangling via a non-gravitational interaction. We outline a concrete implementation testing the ability of the gravitational field to generate entanglement between an atomic interferometer and mechanical oscillator. Preliminary numerical estimates suggest that near-term devices could feasibly be used to perform the experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Shock-ramp analysis test problem

Quasi-isentropic (ramp) compression is now a well-established experimental method and so are the analysis techniques to give Lagrangian sound speed, pressure, and density along the sample material's isentrope. A shock followed by ramp compression is a natural extension to investigate, for example, shock melt and refreeze on compression, or isentropes of states off the Hugoniot or principal isentrope. In practice, graded-density impactors produce initial shocks, compression by shaped laser pulses may be unable to produce a smooth pressure increase from zero, and incidental perturbations on the drive pulse may also give rise to shocks, so robust shock-ramp analysis methods will be needed. Appropriate analysis methods are needed for shock-ramp experiments, based on those for quasi-isentropic compression, and these require validation. This paper describes three different analyses of a shock-ramp test problem, including an assessment of their estimated errors. The methods tested were based on hydrodynamic characteristics or integration backward in space. All methods gave the known Lagrangian sound speed to within ~1%, and pressure and volume to within less than 2% and 1%, demonstrating that the analysis methods of isentropic compression experiments can be confidently extended to the analysis of shock and ramp compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A Strong-QCD Regime Measurement of the Proton’s Spin Structure

The theory of the strong force, Quantum Chromodynamics (QCD) remains one of the most important ways to understand the fundamental properties of ordinary matter. However, at low momentum transfer Q 2 , in the regime where the strong force becomes extremely strong, our understanding of QCD for ordinary nucleons becomes hazy. Several cutting edge theories such as Chiral Perturbation Theory (χPT) and Lattice QCD have provided valuable predictions in this regime, but Lattice QCD has not yet extended predictions of many important quantities to this kinematic region, and Chiral Perturbation Theory has faced several important disagreements with experimental data for the neutron over the last several decades. It is therefore of extreme importance to have a benchmark of experimental data in the low energy regime for the proton’s behavior, as a test of leading theories for the behavior of QCD in this regime. The E08-027 (g2p) experiment ran at Jefferson Lab in 2012 with the goal of collecting this valuable data, and though I was still completing my undergraduate studies at the time, I became involved in the analysis in 2015 and built on the previous work to complete it and analyze the exciting results. This experiment achieved a high precision measurement of the spin structure functions g1 and g2 for the proton, quantities which describe the internal spin structure of the proton. These measurements were taken in the valuable low Q 2 region described above, and used to extract several moments of these spin structure functions which can be directly compared to the cutting-edge predictions of Chiral Perturbation Theory. Though the experiment’s timeline was such that I didn’t have a chance to work directly on the experimental setup, I had the opportunity to acquire hands-on experience working on a polarized target at UNH which is very similar to the crucial polarized target used in the g2p experiment. Full details of the g2p experiment and my experimental work at the University of New Hampshire are presented in this thesis, as well as a detailed description of the analysis process and the exciting benchmark results, which serve as a direct test of all current and future theories of QCD in the low-Q 2 regime.

Ruth, David↗
DOE OSTI2025

Self-regulating behavior of hybrid membrane systems as demonstrated in an element-scale forward osmosis-reverse osmosis hybrid system

Hybrid membrane systems can be difficult to design due to the requisite flow rate matching between up- and downstream unit operations. In this work, we use a forward osmosis-reverse osmosis (FO-RO) hybrid system to demonstrate how some membrane systems can exhibit self-regulating behavior due to osmotic coupling. This can reduce the need for complex control systems for flow balancing. We show this behavior using a module-scale test bed that can mimic the behavior of larger scale operations. The system shows permeate flow rate near-convergence between the FO and RO modules after startup or when perturbed by a change in RO module pressure. The behavior of this hybrid system demonstrates that some membrane operations can exploit osmotic interdependence, rather than expensive control systems, to achieve steady state operation.

Debottlenecking↗