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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Carbon availability, soil pH, and microbial allocation to nitrogen acquisition shape grassland heterotrophic respiration in response to a decade of nitrogen addition

Previous work has found that anthropogenic inputs of nitrogen (N) and phosphorus (P) impact heterotrophic respiration during soil organic matter decomposition in grasslands, a critical pathway through which carbon (C) is lost from soil to the atmosphere. While N addition typically reduces heterotrophic respiration, why the strength and direction of this N effect varies among sites is unclear. Here, to address this, we conducted a 339-day laboratory incubation to measure heterotrophic respiration from nine grasslands across North America that have received 10 years of factorial N and P fertilization. N addition reduced cumulative respiration most at sites with low pH, low microbial allocation towards N acquisition, and high soil C concentration and availability. However, N addition had neutral rather than positive effects on heterotrophic respiration in sites with high pH and decomposer allocation towards N acquisition. Across sites, a decade of N addition reduced heterotrophic respiration by ∼24 %, driven by reductions in microbial biomass. Heterotrophic respiration was less sensitive to P addition, despite its increasing microbial biomass. However, simultaneous N and P addition did ameliorate negative N effects. These results show that previously observed variation in the response of heterotrophic respiration to N addition can be explained by soil C availability and pH status, widely measured factors which can be used to predict how grassland C fluxes may change under continuing nutrient deposition.

N addition↗
DOE OSTI2025

Flexible transparent conducting electrodes unexpectedly influence MAPbI 3 film morphology and perovskite solar cell performance

Fabricating perovskite solar cells (PSCs) on plastic substrates will enable cost-effective manufacturing of lightweight and portable energy systems. Here, we study the influence of flexible transparent conductive electrodes (TCEs) on the methylammonium lead iodide (MAPbI3) film morphology and PSC performance. Three types of TCEs on polyethylene terephthalate (PET) are compared: a custom-made AgNWs/indium zinc oxide hybrid TCE and two commercial substrates with indium tin oxide (ITO) or metal/insulator/metal (MIM) as the TCE. Using the same p-i-n architecture and hole transport layer (HTL), we find that PSCs fabricated on the hybrid TCE show better performance and stability compared to those made on commercial TCEs. The PSC performance enhancement is attributed to the superior structural and optical properties of MAPbI3 film deposited on the hybrid TCE, which is explained by the surface energy difference of the HTL. While it is anticipated that solar cell performance can be affected by TCEs’ transmittance and sheet resistance as they determine light absorption and carrier transport, respectively, our finding of TCE influencing the morphology and crystallinity of MAPbI3 film, and hence PSC performance, is unexpected.

14 SOLAR ENERGY↗
DOE OSTI2025

First principles investigation of dopants and defect complexes in CdSe$_x$Te$_{1-x}$

Se alloying is a common approach to improve the performance of CdTe solar cells by tuning the bandgap, defect levels, and carrier density. A fundamental understanding of these improvements, specifically the effect of Se alloying on the behavior of defects and dopants in CdTe, remains unclear. Here, in this work, we present a density functional theory (DFT) study of point defect energetics in CdTe and CdSe x Te 1-x with x = 0.25, leading to a comparison of how native defects, dopants (As and Cu), impurities (Cl and O), and related defect complexes behave in CdTe vs CdSe x Te 1-x . Our calculations, performed by combining semi-local and nonlocal hybrid functionals, show a general lowering of the formation energies of native defects as well as substitutional defects formed by As and Cl upon Se addition. For successful p-type doping with As, destabilizing Cl-based defects in the CdSeTe lattice would be essential. We find evidence for some low-energy defect complexes of As, Cl, and O in CdSe 0.25 Te 0.75 . The computed defect formation energies further enable estimates of temperature-dependent defect concentrations and self-consistent Fermi levels. A comparison of defect energetics with the energies of impurity phases reveals that As, Cu, Cl, and O overwhelmingly prefer being segregated to unwanted As 2 O 5 , AsCl 3 , Cd 2 AsCl 2 , and CuO x phases rather than remain at defect sites, but such segregation is less likely to happen in CdSe 0.25 Te 0.75 than in CdTe. Overall, our work presents a list of likely defects and complexes in CdTe and Se-incorporated CdTe, paving the way to explain and mitigate limited dopant activation in experimental observations.

CdTe↗
DOE OSTI2025

New directions and principles for solvent extraction for recovery of lithium from aqueous brines and mineral leachates: A brief review

Increasing demand for lithium for manufacturing of batteries is fueling the unprecedented search for improved recovery and alternative sources. Wider source distribution, lower energy consumption, and greater sustainability make extraction of lithium from brines, both natural and process-derived, an attractive alternative to mineral ores. Solvent extraction, used industrially for production of metals, salts, and pharmaceuticals, has been investigated as a methodology for lithium recovery for several decades. However, industrial application of solvent extraction for lithium recovery has so far been limited. In contrast, direct lithium extraction using adsorbents based on inorganic minerals has rapidly advanced from research to commercialization. A comparison of solvent extraction processes to adsorption highlights these issues and explains the preference for adsorbents. Although the application of solvent extraction has been criticized for use of large amounts of acid, alkali, and organic solvents, steady progress has been made to improve its potential for industrial lithium production, spurred on generally by the advantages of solvent extraction in selectivity and throughput. Previously developed beta-diketone, organophosphate, and crown ether ligands are being adapted and improved. Their novel use with ionic liquids, deep eutectic solvents, and membrane technologies promises to expand capabilities for extraction of lithium from dilute aqueous sources while improving sustainability. Possibilities for further discovery and innovation abound. In this review, we provide a unique perspective from the field of solvent extraction starting with fundamentals such as ion-transfer theory and apply them to understanding lithium selectivity and extraction behavior. In conclusion, the results are cast in the light of the practical realities of developing economical solvent extraction processes.

Brine↗
DOE OSTI2024

Transformational faulting in Mn 2 GeO 4 from olivine to wadsleyite structure: Implications for physical mechanism of deep-focus earthquakes

High-pressure and temperature deformation experiments interfaced with acoustic emission (AE) monitoring have been conducted to study transformational faulting in Mn 2 GeO 4 olivine, which transforms to the β phase, isostructural to wadsleyite. Metastable Mn 2 GeO 4 olivine exhibits a marked embrittlement behavior at temperatures between 800 and 1100 K, emitting numerous AEs. At each temperature, brittle deformation is characterized by a two-stage process: (1) a “preparation” stage with numerous diffusedly located low-magnitude AEs and large b values (>2), and (2) a failure stage where larger-magnitude AEs form a planar distribution with b values about 1. Microstructure analysis reveals extensive kink band development in olivine grains in the recovered samples. Kink band boundaries (KBBs), with a typical thickness of ∼100 nm, are filled with a nanometric β-Mn 2 GeO 4 “gouge”. A dense array of secondary shear localizations is often present within the kink bands, suggesting significant shear deformation therein. The combined observations suggest that faulting in metastable Mn 2 GeO 4 olivine is a self-similar process, from grain-scale to the sample-scale. Both observed embrittlement behavior and the microstructure of metastable Mn 2 GeO 4 olivine are essentially identical to those in Mg 2 GeO 4 olivine we have reported previously, indicating that the physical mechanism of faulting in metastable olivine is insensitive to the specific crystallographic structure of the high-pressure phase. The low b values (about 1) observed in the faulting process in our experiments are similar to those of deep focus earthquakes in cold subduction zones. Our observed mechanism explains deep focus seismicity in cold metastable mantle wedges, provided that the self-similarity assumption holds to geological scales.

58 GEOSCIENCES↗
DOE OSTI2025

Factors influencing recent trends in retail electricity prices in the United States

This study analyzes the primary drivers of recent state-level trends in U.S. retail electricity prices. We summarize pricing trends, explore descriptive relationships, and employ regression models to quantify the influence of various factors. Although the recent national rise in retail prices has largely tracked inflation, state-level trends vary widely. We identify a number of factors that explain trends in subsets of states. States with the greatest price increases typically exhibited shrinking customer loads—partially linked to growth in net metered behind-the-meter solar—and had renewables portfolio standards (RPS) in concert with relatively costly incremental renewable energy supplies. By contrast, recent utility-scale wind and solar deployment that occurred outside RPS programs (but that benefited from tax incentives) had no discernible impact on increased retail prices. Hurricanes, storms and wildfires also contributed to sizable price increases in some states, most notably in California, where wildfire risk mitigation and liability insurance were major cost drivers. Fluctuations in natural gas prices—particularly following the onset of the Ukraine-Russia war—further contributed to sharp price increases through 2022–2023 in many states, with moderation in 2024. The relative influence of these factors varies across states and over time, and relationships may change in the future. Nonetheless, the findings underscore the diverse set of price determinants and highlight the need for continued research to inform effective policy and ensure customer affordability.

Customer load↗
DOE OSTI2024

Aboveground woody biomass estimation of young bioenergy plantations of Populus and its hybrids using mobile (backpack) LiDAR remote sensing

Woody aboveground biomass (AGB) including short-rotation Populus is used as a feedstock for renewable and carbon-neutral bioenergy. While woody AGB can be estimated with allometric equations requiring labor-intensive field data, remote sensing technologies like mobile terrestrial light detection and ranging (LiDAR) can estimate woody AGB quickly and accurately. Therefore, the goals of this study were to develop a model to predict woody AGB of 2-year-old Populus spp. from three taxa (P. deltoides, P. deltoides × P. maximowiczii and P. deltoides × P. trichocarpa) using allometric (height and diameter at breast height (DBH)) or LiDAR-derived metrics from a mobile terrestrial (backpack) system. Likewise, we sought to compare LiDAR-estimated tree height and DBH with field-measured values. We found that a taxa-specific model containing LiDAR-measured tree height, crown volume, and taxa interactions with the height of the 10 th percentile, and the density of the lowest interval (density metric 0) explained 84 % of the variation in woody AGB with a root mean square error (RMSE) of 28.7 % and performed slightly better than the allometric model. The best model excluding taxa had a slightly higher RMSE but lower bias than the allometric model. LiDAR-derived tree heights were highly correlated with field-measured heights, but DBH could not be estimated accurately. Therefore, terrestrial mobile LiDAR systems can accurately estimate woody AGB and tree height of Populus in short rotation systems to aid in the fast and efficient quantification of woody bioenergy production and renewable energy resources.

AGB↗
DOE OSTI2024

On the instrument-dependent appearance of ion dissociation events in atom probe tomography mass spectra

The successful application of atom probe tomography (APT) relies on the accurate interpretation of the mass spectrum (i.e. m/z histogram) from a sample. Some materials yield mass spectra that are amenable to a straightforward peak assignment/ranging, however, there are many materials that produce mass spectra with features that defy simple interpretation. One such example is Ga 2 O 3 which yields mass spectra containing several broad and difficult to interpret features. Herein, we study the GaO 2+ → O 1+ + Ga 1+ dissociation and we explain how this dissociation process gives rise to broad and previously unassigned features in the mass spectrum. Trajectory simulations are performed for the dissociation reaction utilizing realistic electrostatic models and compared to experiments using commercially available straight flight and reflectron based local electrode (LE) APT instruments. It is shown that the appearance of these features is strongly dependent on the specific design of the time-of-flight (ToF) mass analyzer. Additionally, we explore how various experimental parameters can affect the appearance of the dissociation process in the one-dimensional (1D) mass spectrum and in the two-dimensional (2D) correlation histogram. While the focus of this work is on a particular dissociation process related to Ga 2 O 3 , the understanding gained in the course of these simulations and experiments should be applicable to the interpretation of dissociation processes in other materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Spin dynamics of the centrosymmetric skyrmion material GdRu 2 Si 2

Magnetic skyrmion crystals are traditionally associated with non-centrosymmetric crystal structures; however, it has been demonstrated that skyrmion crystals can be stabilized by competing interactions in centrosymmetric crystals. To understand and optimize the physical responses associated with topologically nontrivial skyrmion textures, it is important to quantify their magnetic interactions by comparing theoretical predictions with spectroscopy data. Here, we present neutron diffraction and spectroscopy data on the centrosymmetric skyrmion material GdRu 2 Si 2 and show that the key spectroscopic features can be explained by magnetic interactions calculated using density functional theory. We further show that the recently proposed 2-q “topological spin stripe” structure yields better agreement with our data than a 1-q helical structure and identify how the magnetic structure evolves with temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparative modeling reveals the molecular determinants of aneuploidy fitness cost in a wild yeast model

Although implicated as deleterious in many organisms, aneuploidy can underlie rapid phenotypic evolution. However, aneuploidy will be maintained only if the benefit outweighs the cost, which remains incompletely understood. To quantify this cost and the molecular determinants behind it, we generated a panel of chromosome duplications in Saccharomyces cerevisiae and applied comparative modeling and molecular validation to understand aneuploidy toxicity. We show that 74%–94% of the variance in aneuploid strains’ growth rates is explained by the cumulative cost of genes on each chromosome, measured for single-gene duplications using a genomic library, along with the deleterious contribution of small nucleolar RNAs (snoRNAs) and beneficial effects of tRNAs. Machine learning to identify properties of detrimental gene duplicates provided no support for the balance hypothesis of aneuploidy toxicity and instead identified gene length as the best predictor of toxicity. Our results present a generalized framework for the cost of aneuploidy with implications for disease biology and evolution.

genic load↗
DOE OSTI2025

Two deeply conserved non-coding sequences control PLETHORA1/2 expression and coordinate embryo and root development

Conserved non-coding sequences (CNSs) are integral elements of transcriptional regulation. Transcriptional tuning of PLETHORA (PLT) genes that encode master regulators of plant development is vital for embryogenesis and meristematic function. However, how the expression of PLT genes is modulated through CNSs remains unclear. Through motif-based mining of upstream sequences in 120 angiosperm genomes, we identified 21 conserved and lineage-specific CNSs, two of which are unusually long, similar, and colinear within eudicots. Using Arabidopsis thaliana, we demonstrate that these two deeply conserved elements, which we named BOX1 and BOX2, control PLT1 and PLT2 expression. CRISPR mutants within these elements specifically reduced PLT expression levels, and reporter lines revealed that deletion of either or both BOXes altered and/or abrogated the PLT2 expression pattern in the root tip, affecting the ability to rescue the plt1 plt2 double mutant. We further show that the influence of these elements on expression patterns is already exerted during embryogenesis and functional in the context of the early embryo. Finally, we reveal the existence of a BOX-mediated autoregulatory feedback loop that, in large part, explains CNS influence on expression patterns. We thus uncover a transcriptional mechanism by which genes encoding master regulators of embryo and root meristem development are regulated.

PLETHORA↗
DOE OSTI2023

Activity-induced migration of viscous droplets on a solid substrate

Active matter exploits motion to induce changes in shape and conformation via external input. Here, in this paper, we establish theoretically that viscous liquid droplets containing magnetic nanoparticles with frozen-in magnetic moments, sitting on a solid substrate and surrounded by an ambient gas phase, can deform and migrate under the influence of a magnetic torque. The effect arises because the collective rotation of the magnetic nanoparticles at the liquid–gas interface tilts the droplet away from a symmetric configuration, breaks the reflection symmetry with respect to the centre axis, and leads to a left–right asymmetry of the contact angles. A sufficiently strong magnetic torque leads the contact angles to overcome hysteresis effects leading the droplet to migrate. We develop a general framework to explain how symmetry-breaking affects droplet migration. Thus previous results of droplet spreading and migration can be recovered as special cases. Such droplets can be employed as agents in active surfaces and can move against gravity, chemical and thermal gradients, providing a mechanism that could be utilized by both industry and medicine.

Aggarwal, A. [Northwestern Univ., Evanston, IL (Un↗
DOE OSTI2025

A Colebrook equation for impinging radial wall jets

Here, in this study, we evaluate the skin coefficient of friction for steady turbulent radial wall jets across smooth and rough surfaces. Although the Colebrook equation has been used successfully for many decades to evaluate friction factors for flows through smooth and rough pipes, how roughness affects the skin friction coefficient for steady turbulent radial wall jets remains unclear. Here we explore a Colebrook-type equation for skin friction coefficients associated with single-phase turbulent radial wall jets arising from orthogonally impinging circular jets. The fully iterative solution, based on well-established concepts of turbulent wall-bounded flow, is presented along with a power-law approximation and a non-iterative approximation for the friction coefficient derived therefrom. We find the skin coefficient of friction defined on the peak radial velocity to be a function of position over rough but not smooth surfaces in contrast to pipe friction factors that remain independent of axial position. These results follow expected trends, explain prior heterogeneity in power-law expressions for the skin friction coefficient and have significant implications for the industrial use of jets in mixing vessels.

friction losses↗
DOE OSTI2024

Bifurcation of equilibrium positions for ellipsoidal particles in inertial shear flows between two walls

We conducted a systematic numerical investigation of spherical, prolate and oblate particles in an inertial shear flow between two parallel walls, using smoothed particle hydrodynamics (SPH). It was previously shown that above a critical Reynolds number, spherical particles experience a supercritical pitchfork bifurcation of the equilibrium position in shear flow between two parallel walls, namely that the central equilibrium position becomes unstable, leading to the emergence of two new off-centre stable positions (Foxet al.,J. Fluid Mech., vol. 915, 2021). This phenomenon was unexpected given the symmetry of the system. In addition to confirming this finding, we found, surprisingly, that ellipsoidal particles can also return to the centre position from the off-centre positions when the particle Reynolds number is further increased, while spherical particles become unstable under this increased Reynolds number. By utilizing both SPH and the finite element method for flow visualization, we explained the underlining mechanism of this reverse of bifurcation by altered streamwise vorticity and symmetry breaking of pressure. Furthermore, we expanded our investigation to include asymmetric particles, a novel aspect that had not been previously modelled, and we observed similar trends in particle dynamics for both symmetric and asymmetric ellipsoidal particles. While further validation through laboratory experiments is necessary, our research paves the road for development of new focusing and separation methods for shaped particles.

Mechanics↗
DOE OSTI2024

The vertical-velocity skewness in the inertial sublayer of turbulent wall flows

Empirical evidence is provided that within the inertial sublayer (i.e. logarithmic region) of adiabatic turbulent flows over smooth walls, the skewness of the vertical-velocity component 𝑆 𝑤 displays universal behaviour, being a positive constant and constrained within the range 𝑆 𝑤 ≈ 0.1–0.16, regardless of flow configuration and Reynolds number. A theoretical model is then proposed to explain this behaviour, including the observed range of variations of 𝑆 𝑤 . The proposed model clarifies why 𝑆 𝑤 cannot be predicted from down-gradient closure approximations routinely employed in large-scale meteorological and climate models. The proposed model also offers an alternative and implementable approach for such large-scale models.

turbulent boundary layers↗
DOE OSTI2025

Multi-modal effects on indirect noise induced by turbulent entropy fields

Planar entropy waves are commonly assumed for predicting indirect combustion noise. However, the non-planar and turbulent nature of flows found in most practical combustors challenges this assumption. In the present paper, we examine the indirect noise generated by non-planar and turbulent entropy fields through subsonic nozzles. Firstly, we introduce a new transfer function framework that accounts for the contribution of non-planar Fourier modes of the entropy field to the indirect noise spectra. When applied to a turbulent flow field, this method demonstrates a significant improvement in spectral predictions compared with a conventional approach that only considers the planar mode. Secondly, simulations show that non-planar Fourier modes become significant above a threshold frequency ƒ thresh , found in the mid- to high-frequency range. This contribution of non-planar modes is explained by two-dimensional shear effects that distort the entropy waves. A scaling relation that uses residence times along streamlines is developed for ƒ thresh , showing good agreement with simulation results. Finally, we show that the indirect noise from non-planar entropy modes found in aviation combustors can be significant at frequencies below 1 kHz, which might be relevant in situations of thermo-acoustic instabilities coupled to indirect noise.

42 ENGINEERING↗
DOE OSTI2024

Plasma potential shaping using end-electrodes in the Large Plasma Device

We perform experiments in the Large Plasma Device at the University of California, Los Angeles, studying how different end-electrode biasing schemes modify the radial potential profile in the machine. We impose biasing profiles of different polarities and gradient signs on a set of five concentric electrodes placed 12 m downstream from the plasma source. We find that imposing concave-down profiles (negative potential radial gradient) on the electrodes creates radial potential profiles halfway up the plasma column that are comparable to those imposed on the electrodes and a few electron temperature in height, regardless of the biasing polarity. On the other hand, imposing concave-up profiles (positive potential radial gradient) leads to non-monotonic radial potential profiles. This observation can be explained by the current drawn through the electrodes and the parallel plasma resistivity, highlighting their important role in controlling the rotation of plasma. Concave-down plasma potential profiles, obtained by drawing electrons on the axis, are predicted to drive azimuthal drift velocities that can approach significant fractions of the ion sound speed in the central region of the plasma column.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonlinear solution of classical three-wave interaction via finite-dimensional quantum model

The quantum three-wave interaction, the lowest-order nonlinear interaction in plasma physics, describes energy–momentum transfer between three resonant waves in the quantum regime. We describe how it may also act as a finite-degree-of-freedom approximation to the classical three-wave interaction in certain circumstances. By promoting the field variables to operators, we quantize the classical system, show that the quantum system has more free parameters than the classical system and explain how these parameters may be selected to optimize either initial or long-term correspondence. We then numerically compare the long-time quantum–classical correspondence far from the fixed point dynamics. We discuss the Poincaré recurrence of the system and the mitigation of quantum scrambling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗