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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

Automated model-predictive design of synthetic promoters to control transcriptional profiles in bacteria

Abstract Transcription rates are regulated by the interactions between RNA polymerase, sigma factor, and promoter DNA sequences in bacteria. However, it remains unclear how non-canonical sequence motifs collectively control transcription rates. Here, we combine massively parallel assays, biophysics, and machine learning to develop a 346-parameter model that predicts site-specific transcription initiation rates for any σ 70 promoter sequence, validated across 22132 bacterial promoters with diverse sequences. We apply the model to predict genetic context effects, design σ 70 promoters with desired transcription rates, and identify undesired promoters inside engineered genetic systems. The model provides a biophysical basis for understanding gene regulation in natural genetic systems and precise transcriptional control for engineering synthetic genetic systems.

42 ENGINEERING↗
DOE OSTI2020

Rewiring the specificity of extracytoplasmic function sigma factors

Significance Bacterial phenotypes require the concerted expression of multiple genes, usually coordinated by a transcriptional regulator. Although the functions of many genes in sequenced bacterial genomes can be inferred, the regulatory networks that coordinate their expression are only known in a few model systems. Using a bioinformatic and experimental approach, we solve the DNA-specificity code of extracytoplasmic function sigma factors (ECF σs), a major class of bacterial regulators. We develop and use a high-stringency pipeline to predict the genes regulated by 67% of ECF σs in >10,000 species, providing a comprehensive look at the role of a broadly distributed family of gene regulatory proteins. This conceptual and computational framework is potentially applicable to other bacterial regulators.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Tunable Infrared Laser Absorption Spectroscopy of Aluminum Monoxide $A^2\Pi_i $–$X^2\Sigma^+$.

We report the details of an infrared, laser absorption diagnostic capable of quantifying aluminum monoxide temperature and column density at 100 kHz repetition rate. This novel technique employs a near infrared MEMS-VCSEL to measure rotationally resolved optical absorption spectra of aluminum monoxide $A^2\Pi_i$ - $X^2\Sigma^+$ from approximately 7400 –7900 cm -1 . Temperatures and column densities are extracted from model regressions to provide temporally resolved thermochemical information on aluminum oxidation reactions. The measurement capability is demonstrated by performing 100 kHz measurement in the plume of an exploding bridgewire with measured temperatures of 3450–3100 K and column densities of 1– 11 x 10 16 cm -2 . To the authors knowledge, this is the first use of the AlO $A^2\Pi_i$ - $X^2\Sigma^+$ transition to characterize aluminum combustion environments. Details regarding signal extraction and calibration of MEMS-VCSEL spectra are also included. Although unsuccessful, efforts to extract kinetic temperature and column density from simultaneously measured, atomic aluminum 2 P 3/2,1/2 - 2 S 1/2 transitions at 7618 cm -1 and 7602 cm -1 are also described.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Precision dispersive approaches versus unitarized chiral perturbation theory for the lightest scalar resonances $\sigma /f_0(500) $ and $\kappa /K_0^*(700) $

For several decades, the $\sigma /f_0(500) $ and $\kappa /K_0^*(700) $ resonances have been subject to long-standing debate. Both their existence and properties were controversial until very recently. In this tutorial review, we compare model-independent dispersive and analytic techniques versus unitarized Chiral Perturbation Theory, when applied to the lightest scalar mesons $\sigma /f_0(500) $ and $\kappa /K_0^*(700) $. Here, the former have settled the long-standing controversy about the existence of these states, providing a precise determination of their parameters, whereas unitarization of chiral effective theories allows us to understand their nature, spectroscopic classification and dependence on QCD parameters. Here we review in a pedagogical way their uses, advantages and caveats.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A New Modeling Approach for a Priori Uncertainties of Laser Tracker Angle Measurements

Methods for modeling the uncertainty in laser tracker angle measurements vary within the metrology industry, leading to confusion and questionable stochastic modeling for survey network adjustments and error propagation analysis. Interpreting the published laser tracker manufacturer performance specifications to determine an a priori sigma value for weighting azimuth and zenith angle measurements can be confusing and has led to differing implementations. Furthermore, this paper proposes a unique way to model survey network a priori laser tracker angular uncertainties based on laser tracker manufacturers’ published maximum permissible error (MPE) values referenced to current standards for weighting survey network measurements. This paper’s proposed model takes into account the disparate effects that pointing errors, target centering errors, and leveling errors have on azimuth and zenith angular uncertainties for measurements with steep sightings and at near ranges.

42 ENGINEERING↗
DOE OSTI2022

Hydrazine Energy Storage: Displacing N 2 H 4 from the Metal Coordination Sphere

Hydrogen carriers, such as hydrazine (N 2 H 4 ), may facilitate long duration energy storage, a vital component for resilient grids by enabling more renewable energy generation. Lanthanide coordination chemistry with N 2 H 4 as well as efforts to displace N 2 H 4 from the metal coordination sphere to develop an efficient catalytic production cycle were detailed. Modeling the equilibrium of different ligand coordination, it was predicted that strong sigma donor molecules would be required to displace N 2 H 4 . Monitoring competition experiments with nuclear magnetic resonance confirmed that trimethyl phosphine oxide, dimethylformamide, and dimethyl sulfoxide displaced N 2 H 4 in large or small lanthanide complexes.

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

Pseudo-rapidity distributions of charged particles in asymmetric collisions using Tsallis thermodynamics

Abstract The pseudo-rapidity distributions of the charged particles produced in the asymmetric collision systems p+Al, p+Au and$$^3$$ 3 He+Au at$$\sqrt{s_\text {NN}} = 200$$ s NN = 200 GeV are evaluated in the framework of a fireball model with Tsallis thermodynamics. The fireball model assumes that the experimentally measured particles are produced by fireballs following the Tsallis distribution and it can effectively describe the experimental data. Our results as well as previous results for d+Au collisions at$$\sqrt{s_\text {NN}} = 200$$ s NN = 200 GeV and p+Pb collisions at$$\sqrt{s_\text {NN}} = 5.02$$ s NN = 5.02 TeV validate that the fireball model based on Tsallis thermodynamics can provide a universal framework for pseudo-rapidity distribution of the charged particles produced in asymmetric collision systems. We predict the centrality dependence of the total charged particle multiplicity in the p+Al, p+Au and$$^3$$ 3 He+Au collisions. Additionally, the dependences of the fireball model parameters ($$y_{0a}$$ y 0 a ,$$y_{0A}$$ y 0 A ,$$\sigma _{a}$$ σ a and$$\sigma _{A}$$ σ A ) on the centrality and system size are studied.

Nuclear Science & Technology↗
DOE OSTI2022

Towards physics-inspired data-driven weather forecasting: integrating data assimilation with a deep spatial-transformer-based U-NET in a case study with ERA5

Abstract. There is growing interest in data-driven weather prediction (DDWP), e.g., using convolutional neural networks such as U-NET that are trained on data from models or reanalysis. Here, we propose three components, inspired by physics, to integrate with commonly used DDWP models in order to improve their forecast accuracy. These components are (1) a deep spatial transformer added to the latent space of U-NET to capture rotation and scaling transformation in the latent space for spatiotemporal data, (2) a data-assimilation (DA) algorithm to ingest noisy observations and improve the initial conditions for next forecasts, and (3) a multi-time-step algorithm, which combines forecasts from DDWP models with different time steps through DA, improving the accuracy of forecasts at short intervals. To show the benefit and feasibility of each component, we use geopotential height at 500 hPa (Z500) from ERA5 reanalysis and examine the short-term forecast accuracy of specific setups of the DDWP framework. Results show that the spatial-transformer-based U-NET (U-STN) clearly outperforms the U-NET, e.g., improving the forecast skill by 45 %. Using a sigma-point ensemble Kalman (SPEnKF) algorithm for DA and U-STN as the forward model, we show that stable, accurate DA cycles are achieved even with high observation noise. This DDWP+DA framework substantially benefits from large (O(1000)) ensembles that are inexpensively generated with the data-driven forward model in each DA cycle. The multi-time-step DDWP+DA framework also shows promise; for example, it reduces the average error by factors of 2–3. These results show the benefits and feasibility of these three components, which are flexible and can be used in a variety of DDWP setups. Furthermore, while here we focus on weather forecasting, the three components can be readily adopted for other parts of the Earth system, such as ocean and land, for which there is a rapid growth of data and need for forecast and assimilation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Dark energy survey year 3 results: cosmological constraints from the analysis of cosmic shear in harmonic space

ABSTRACT We present cosmological constraints from the analysis of angular power spectra of cosmic shear maps based on data from the first three years of observations by the Dark Energy Survey (DES Y3). Our measurements are based on the pseudo-Cℓ method and complement the analysis of the two-point correlation functions in real space, as the two estimators are known to compress and select Gaussian information in different ways, due to scale cuts. They may also be differently affected by systematic effects and theoretical uncertainties, making this analysis an important cross-check. Using the same fiducial Lambda cold dark matter model as in the DES Y3 real-space analysis, we find ${S_8 \equiv \sigma _8 \sqrt{\Omega _{\rm m}/0.3} = 0.793^{+0.038}_{-0.025}}$, which further improves to S8 = 0.784 ± 0.026 when including shear ratios. This result is within expected statistical fluctuations from the real-space constraint, and in agreement with DES Y3 analyses of non-Gaussian statistics, but favours a slightly higher value of S8, which reduces the tension with the Planck 2018 constraints from 2.3σ in the real space analysis to 1.5σ here. We explore less conservative intrinsic alignments models than the one adopted in our fiducial analysis, finding no clear preference for a more complex model. We also include small scales, using an increased Fourier mode cut-off up to $k_{\rm max}={5}\, {h}\, {\rm Mpc}^{-1}$, which allows to constrain baryonic feedback while leaving cosmological constraints essentially unchanged. Finally, we present an approximate reconstruction of the linear matter power spectrum at present time, found to be about 20 per cent lower than predicted by Planck 2018, as reflected by the lower S8 value.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Enhancing the cooling performance of thermocouples: a power-constrained topology optimization procedure

Abstract Heat pumping through thermoelectric devices has many advantages over traditional cooling. However, their current efficiency is a limiting factor in their implementation. In this paper, we approach the non-convex topology optimization of thermoelectrical elements for cooling applications through the method of moving asymptotes (MMA) to improve their cooling capabilities per watt usage. The optimization problem is defined for a given power budget, aiming for the minimum temperature with a known heat pumping need. The introduction of power as a constraint justifies the introduction of the voltage gradient across the thermocouple as a design variable to maintain the thermoelectrical device in its optimum power-to-heat extraction ratio. To better understand the convergence of this non-convex problem, we present a two-variable analytical thermoelectric optimization model. This example provides information on how to select the penalty parameters used to scale the three material coefficients involved in the problem to obtain lower objective values and better convergence using MMA. The analytical model shows the non-convexity of the problem and provides the recommendation to use penalization coefficients of the form $$p_k=p_{\sigma }>p_{\alpha }=1$$ p k = p σ > p α = 1 for the thermal conductivity, electrical conductivity, and Seebeck coefficients. We tested these penalization coefficients through optimizations of a model based on the 1MC10-031 commercial thermoelectric-cooler (TEC) using the finite element method (FEM). These penalization coefficients provided local minima without the need for volume constraints. With this procedure, we found designs that provided temperatures close to 10 degrees lower using 60% less semiconductor material volume compared to the initial design.

Gutiérrez, G. Reales↗
DOE OSTI2025

Tracing the Cosmic Evolution of the Cool Circumgalactic Medium of Luminous Red Galaxies with DESI Year 1 Data

We investigate the properties of the cool circumgalactic medium (CGM) of massive galaxies and their cosmic evolution. By using the year 1 dataset of luminous red galaxies (LRGs) and QSOs from the Dark Energy Spectroscopic Instrument survey, we construct a sample of approximately 600,000 galaxy-quasar pairs and measure the radial distribution and kinematics of the cool gas traced by Mg II absorption lines as a function of galaxy properties from redshift 0.4 to redshift 1.2. Our results show that the covering fraction of the cool gas around LRGs increases with redshift, following a trend similar to the global evolution of galaxy star formation rate. At small radii (< 0.3rvir), the covering fraction anti-correlates with stellar mass, suggesting that mass-dependent processes suppress the cool gas content in the inner region. In addition, we measure the gas dispersion by modeling the velocity distribution of absorbers with a narrow and a broad components -- sigma_n ~ 160 and sigma_b ~ 380 km/s -- and quantify their relative contributions. The results show that the broad component becomes more prominent in the outer region, and its relative importance in the central region grows with increasing stellar mass. Finally, we discuss possible origins of the cool gas around massive galaxies, including the contribution of satellite galaxies and the precipitation scenario.

Chang, Yu-Ling [Taiwan, Natl. Taiwan U.] (ORCID:00↗
DOE OSTI2020

Shape fluctuations and optical transition of He 2 * excimer tracers in superfluid He 4

Metastable He$_{2}^{*}$ excimer molecules have been utilized as tracer particles of the normal component in superfluid $^4$He (He II) which can be imaged via laser-induced fluorescence. These excimer molecules form tiny bubbles in He II and can bind to quantized vortices at sufficiently low temperatures, thereby allowing for direct visualization of vortex dynamics in an inviscid superfluid. However, the $a^{3}\Sigma^+_{u}$${\rightarrow}$$c^{3}\Sigma^+_{g}$ optical absorption line, which is responsible for the fluorescence imaging of the He$_{2}^{*}$ molecules, is controlled by fluctuations on the bubble shape, and its exact line profile is not known at low temperatures. In this paper, we present a bubble model for evaluating the surface fluctuation eigenmodes of the excimers in He II. The line profile of the $a^{3}\Sigma^+_{u}{\rightarrow}c^{3}\Sigma^+_{g}$ transition is calculated at different temperatures by considering both the zero-point and thermal fluctuations on the bubble shape. We show that, as the temperature drops from 2~K to 20 mK, the peak absorption strength is enhanced by a factor of about five, accompanying a blueshift of the peak location by about 2 nm. A double-peak line profile due to the rotational levels of the molecular core can be resolved. This bubble model also allows us to evaluate the stiffness of the He$_{2}^{*}$ bubbles and hence their diffusion constant in He II due to scattering off thermal phonons. Our results will aid the design of future experiments on imaging quantized vortices in He II using He$_{2}^{*}$ tracers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The role of electric dominance for particle injection in relativistic reconnection

ABSTRACT Magnetic reconnection in relativistic plasmas – where the magnetization $\sigma \gg 1$ – is regarded as an efficient particle accelerator, capable of explaining the most dramatic astrophysical flares. We employ two-dimensional (2D) particle-in-cell simulations of relativistic pair-plasma reconnection with vanishing guide field and outflow boundaries to quantify the impact of the energy gain occurring in regions of electric dominance ($E\gt B$) for the early stages of particle acceleration (i.e. the ‘injection’ stage). Given an injection threshold energy $\epsilon ^\ast =\sigma /4$ for the particles that eventually attain energy $\epsilon _{\rm T}$ by time T, we calculate the mean fractional contribution $\zeta (\epsilon ^\ast ,\epsilon _{\rm T})$ by $E\gt B$ fields to particle energization at the time when the threshold $\epsilon ^\ast$ is reached. We find that $\zeta$ monotonically increases with $\sigma$ and $\epsilon _{\rm T}$; for $\sigma \gtrsim 50$ and $\epsilon _{\rm T}/\sigma \gtrsim 8$, we find that $\gtrsim 80~{{\ \rm per\ cent}}$ of the energy gain obtained before reaching $\epsilon ^\ast =\sigma /4$ occurs in $E\gt B$ regions. We find that $\zeta$ is independent of simulation box size $L_x$, as long as $\epsilon _{\rm T}$ is normalized to the maximum particle energy, which scales as $\epsilon _{\rm max}\propto L_{\rm x}^{1/2}$ in 2D. The distribution of energy gains $\epsilon _{\chi }$ acquired in $E\gt B$ regions can be modelled as $\mathrm{ d}N/\mathrm{ d}\epsilon _{\chi }\propto \epsilon _{\chi }^{-0.35}\exp [-(\epsilon _{\chi }/0.06\, \sigma)^{0.5}]$. Our results help assess the role of electric dominance in relativistic reconnection with vanishing guide fields, which is realized in the magnetospheres of black holes and neutron stars.

Gupta, Sanya (ORCID:0000000151944384)↗
DOE OSTI2025

New scaling and nuclear structure aspects in heavy-ion fusion reactions

Three new behaviors have been found in comparisons of fusion cross sections for different collision systems. root (1) Replacing the energy E with a scaling one, E scal = (E-V g )/($\sqrt{2}$W g ), is successful for washing out the Coulomb interaction in the spectra of fusion cross sections, where V g and W g are barrier height and width of the single-Gaussian barrier distribution model. (2) In a representation of σE vs the scaling energy, E scal , all data sets display in parallel. Here, the ratio for sigma E from any two fusion systems over the whole range is a constant value. That behavior is also studied in another representation, in which the data sets display as parallel horizontal lines for any heavy-ion fusion system. (3) The constant ratio value is the ratio of parameter products, $R^2_gW_g$, of the two systems; where R g is the barrier radius obtained in the single-Gaussian barrier distribution model. Moreover, when comparing neighboring collision systems at the same E scal , the ratio of sigma is near a constant value within a few percent over the whole range. Thus a quantitative comparison for the fusion enhancement for neighboring systems is developed. The present finding could be beneficial for predicting unmeasured fusion cross sections.

Jiang, C. L. [Argonne National Laboratory (ANL), A↗
DOE OSTI2026

Combined effects of horizontal and vertical resolution on reliable turbulence prediction at tidal energy sites: A systematic study in the Salish Sea, WA

Predicting turbulence characteristics with coastal ocean models is essential for tidal energy converter deployment. While large eddy simulation provides a detailed turbulence representation, computational limitations restrict its use to smaller domains. We systematically evaluate whether well-configured coastal models can provide reliable turbulence prediction through progressive refinement of 3D model representation. We implemented four model configurations (Levels 1–4) using terrain-following coordinates, isolating the impacts of horizontal resolution, vertical resolution, and layer distribution. We validated all configurations against field measurements from the Salish Sea, WA. Results show that tidal current velocity predictions remain unchanged regarding model configuration, but turbulence properties are sensitive to resolution refinement. Increasing vertical resolution alone proved insufficient; even with vertical sigma-levels rising from 11 to 41, significant underprediction persisted until finer horizontal resolution better captured bathymetric variations. The Level 4 configuration, incorporating geometric sigma-levels distribution, achieved turbulence prediction skill scores exceeding 0.90. Turbulence closure comparison revealed Mellor- Yamada 2.5 outperformed k-epsilon in TKE prediction (skill scores 0.84–0.94 versus 0.72–0.81) due to better boundary layer parameterization. This study shows that well-configured coastal models effectively bridge the gap between simplified tools and costly high-fidelity modeling, offering the tidal energy industry practical and cost-effective turbulence data at commercially relevant scales.

Marine Energy↗
DOE OSTI2023

Biases to primordial non-Gaussianity measurements from CMB secondary anisotropies

ABSTRACT Our view of the last-scattering surface in the cosmic microwave background (CMB) is obscured by secondary anisotropies, sourced by scattering, extragalactic emission, and gravitational processes between recombination and observation. Whilst it is established that non-Gaussianity from the correlation between the integrated-Sachs–Wolfe (ISW) effect and gravitational lensing can significantly bias primordial non-Gaussianity (PNG) searches, recent work by Hill suggests that other combinations of secondary anisotropies can also produce significant biases. Building on that work, we use the WebSky and Sehgal et al. simulations to perform an extensive examination of possible biases to PNG measurements for the local, equilateral and orthogonal shapes. For a Planck-like CMB experiment, without foreground cleaning, we find significant biases from cosmic infrared background (CIB)-lensing and thermal Sunyaev–Zel’dovich (tSZ)-lensing bispectra for the local and orthogonal templates, and from CIB and tSZ bispectra for the equilateral template. For future experiments, such as the Simons Observatory, biases from correlations between the ISW effect and the tSZ and CIB will also become important. Finally, we investigate the effectiveness of foreground-cleaning techniques to suppress these biases. We find that the majority of these biases are effectively suppressed by the internal-linear combination method with a total bias below the $1\, \sigma$ statistical error for both experiments. However, the small total bias arises from the cancellation of several $1\, \sigma$ biases for Planck-like experiments and $2\, \sigma$ biases for SO-like. As this cancellation is likely sensitive to the modelling, to ensure robustness against these biases, we recommend that explicit removal methods should be used.

Astronomy & Astrophysics↗
DOE OSTI2021

Projected sensitivity of the LUX-ZEPLIN experiment to the two-neutrino and neutrinoless double $\beta$ decays of $^{134}$Xe

The projected sensitivity of the LUX-ZEPLIN (LZ) experiment to two-neutrino and neutrinoless double beta decay of 134 Xe is presented. LZ is a 10-tonne xenon time projection chamber optimized for the detection of dark matter particles, that is expected to start operating in 2021 at Sanford Underground Research Facility, USA. Its large mass of natural xenon provides an exceptional opportunity to search for the double beta decay of 134 Xe, for which xenon detectors enriched in 136 Xe are less effective. For the two-neutrino decay mode, LZ is predicted to exclude values of the half-life up to 1.7 x 10 24 years at 90% confidence level (CL), and has a three-sigma observation potential of 8.7 x 10 23 years, approaching the predictions of nuclear models. For the neutrinoless decay mode LZ, is projected to exclude values of the half-life up to 7.3 x 10 24 years at 90% CL.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Measurement of neutrino-induced neutral-current coherent $π^0$ production in the NOvA near detector

The cross section of neutrino-induced neutral-current coherent $\pi^0$ production on a carbon-dominated target is measured in the NOvA near detector. This measurement uses a narrow-band neutrino beam with the average neutrino energy of 2.7\,GeV, xwhich is of interest to the ongoing and future long-baseline neutrino oscillation experiments. The measured, flux-averaged cross section is $\sigma = 14.0\pm0.9$\,(stat.)$\pm2.1$\,(syst.)$\times 10^{-40}$ $\text{cm}^2/$nucleus, consistent with model prediction. This result is the most precise measurement of neutral-current coherent $\pi^0$ production in the few-GeV neutrino energy region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗