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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Coastal songbird condition on migratory stopover varies by geographical location and bird age

Abstract The period of migration can pose significant energetic challenges as birds attempt to reach their destinations. Suitable stopover habitat is, therefore, important to the success of migrating individuals, especially as they move along major migration corridors and geographic features, like coastlines. In this study, we used metrics of individual body condition (i.e. fat score, size-corrected body mass, and refueling rate) of fall migrants as they moved across the Gulf of Maine region, a complex coastal landscape. We investigated the extent to which these body condition indices varied by stopover site geography (island vs. mainland) and how these spatial patterns varied with species-specific characteristics such as migratory distance, foraging guild, and age. Geography was an important factor explaining variation in all 3 condition indices, and age explained additional variance in 2 of the 3. In general, individuals captured on islands exhibited significantly lower energetic condition than individuals on the mainland, and this pattern held true across all migratory strategies and foraging guilds. Immature individuals had, on average, lower energy reserves, with less fat and lower size-corrected mass than adults among all stopover sites. We also found that at all sites, size-corrected body mass, on average, significantly increased over the capture day, providing evidence that both island and mainland sites provided energetically beneficial stopover habitat. Our finding that birds offshore are in lower body condition at capture than those along the coast is suggestive that birds use mainland sites for longer stopover bouts than island sites, or that poorer condition birds reorient to land during over-water movements disproportionately use off-shore islands as their initial landing area. Decreases in either island or mainland stopover site availability or quality may affect individual fitness, with population-level consequences, but through different ways.

Zoology↗
DOE OSTI2026

Data for FUN-PROSE: A Deep Learning Approach to Predict Condition-Specific Gene Expression in Fungi

mRNA levels of all genes in a genome is a critical piece of information defining the overall state of the cell in a given environmental condition. Being able to reconstruct such condition-specific expression in fungal genomes is particularly important to metabolically engineer these organisms to produce desired chemicals in industrially scalable conditions. Most previous deep learning approaches focused on predicting the average expression levels of a gene based on its promoter sequence, ignoring its variation across different conditions. Here we present FUN-PROSE—a deep learning model trained to predict differential expression of individual genes across various conditions using their promoter sequences and expression levels of all transcription factors. We train and test our model on three fungal species and get the correlation between predicted and observed condition-specific gene expression as high as 0.85. We then interpret our model to extract promoter sequence motifs responsible for variable expression of individual genes. We also carried out input feature importance analysis to connect individual transcription factors to their gene targets. A sizeable fraction of both sequence motifs and TF-gene interactions learned by our model agree with previously known biological information, while the rest corresponds to either novel biological facts or indirect correlations.

Genomics↗
DOE OSTI2016

Impact of different environmental conditions on the aggregation of biogenic U(IV) nanoparticles synthesized by Desulfovibrio alaskensis G20

This study investigates the impact of specific environmental conditions on the formation of colloidal U(IV) nanoparticles by the sulfate reducing bacteria (SRB, Desulfovibrio alaskensis G20). The reduction of soluble U(VI) to less soluble U(IV) was quantitatively investigated under growth and non-growth conditions in bicarbonate or 1,4-piperazinediethanesulfonic acid (PIPES) buffered environments. Here, the results showed that under non-growth conditions, the majority of the reduced U nanoparticles aggregated and precipitated out of solution. High resolution transmission electron microscopy revealed that only a very small fraction of cells had reduced U precipitates in the periplasmic spaces in the presence of PIPES buffer, whereas in the presence of bicarbonate buffer, reduced U was also observed in the cytoplasm with greater aggregation of biogenic U(IV) particles at higher initial U(VI) concentrations. The same experiments were repeated under growth conditions using two different electron donors (lactate and pyruvate) and three electron acceptors (sulfate, fumarate, and thiosulfate). In contrast to the results of the non-growth experiments, even after 0.2 μm filtration, the majority of biogenic U(IV) remained in the aqueous phase resulting in potentially mobile biogenic U(IV) nanoparticles. Size fractionation results showed that U(IV) aggregates were between 18 and 200 nm in diameter, and thus could be very mobile. The findings of this study are helpful to assess the size and potential mobility of reduced U nanoparticles under different environmental conditions, and would provide insights on their potential impact affecting U(VI) bioremediation efforts at subsurface contaminated sites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

The modeling of the turbulent reaction rate under high-pressure conditions: A priori evaluation of the Conditional Source-term Estimation concept

With the goal of obtaining an accurate model of the turbulent reaction rate for Large Eddy Simulations (LESs), the modeling of turbulence-chemistry-thermodynamic interaction is addressed through an a priori study of a Direct Numerical Simulation (DNS) database representing high-pressure turbulent combustion. The DNS database consists of simulations of a temporal mixing layer in which a single-step chemical reaction occurs. The potential of the single-conditioned Conditional Source-term Estimation (CSE) approach to model the filtered turbulent reaction rate needed for conducting LES is examined. Evaluations conducted with the mixture fraction as a conditioning variable at two filter widths and with the probability density function (PDF) extracted from the DNS database that represents the mixture fraction, show that the deviation between the model and template is large and substantially increases with filter width. To address this deviation, the Double-conditioned CSE (DCSE) approach is explored with two different second conditioning variables, the first conditioning variable still being the mixture fraction; four filter widths are considered. The first choice of the second conditioning variable is a normalized progress variable based on the CO 2 mass fraction and the second choice of the second conditioning variable is a normalized temperature. With each second conditional variable, the DCSE results represent a substantial improvement over CSE, by as much as an order of magnitude when measured by the relative error from the DNS-extracted filtered reaction rate. A quantitative test based on a root mean square identifies the reason for the DCSE success compared to CSE: unlike in CSE, the DCSE is able to substantially reduce the fluctuations of the modeled reaction rate from the filtered reaction rate over the entire range of the filtered reaction rate values, and particularly at the larger reaction rate values for which the DCSE model has higher fidelity. The results are shown to be equally favorable for the two conditioning variables. Consideration of DNS realizations at higher free-stream pressure or larger Reynolds number shows that the results are essentially equally successful at other pressure or Reynolds number values.

42 ENGINEERING↗
DOE OSTI2014

Generalization of Abel's mechanical problem: The extended isochronicity condition and the superposition principle

This paper presents a simple but nontrivial generalization of Abel's mechanical problem, based on the extended isochronicity condition and the superposition principle. There are two primary aims. The first one is to reveal the linear relation between the transit-time T and the travel-length X hidden behind the isochronicity problem that is usually discussed in terms of the nonlinear equation of motion (d{sup 2}X)/(dt{sup 2}) +(dU)/(dX) =0 with U(X) being an unknown potential. Second, the isochronicity condition is extended for the possible Abel-transform approach to designing the isochronous trajectories of charged particles in spectrometers and/or accelerators for time-resolving experiments. Our approach is based on the integral formula for the oscillatory motion by Landau and Lifshitz [Mechanics (Pergamon, Oxford, 1976), pp. 27–29]. The same formula is used to treat the non-periodic motion that is driven by U(X). Specifically, this unknown potential is determined by the (linear) Abel transform X(U) ∝ A[T(E)], where X(U) is the inverse function of U(X), A=(1/√(π))∫{sub 0}{sup E}dU/√(E−U) is the so-called Abel operator, and T(E) is the prescribed transit-time for a particle with energy E to spend in the region of interest. Based on this Abel-transform approach, we have introduced the extended isochronicity condition: typically, τ = T{sub A}(E) + T{sub N}(E) where τ is a constant period, T{sub A}(E) is the transit-time in the Abel type [A-type] region spanning X > 0 and T{sub N}(E) is that in the Non-Abel type [N-type] region covering X < 0. As for the A-type region in X > 0, the unknown inverse function X{sub A}(U) is determined from T{sub A}(E) via the Abel-transform relation X{sub A}(U) ∝ A[T{sub A}(E)]. In contrast, the N-type region in X < 0 does not ensure this linear relation: the region is covered with a predetermined potential U{sub N}(X) of some arbitrary choice, not necessarily obeying the Abel-transform relation. In discussing the isochronicity problem, there has been no attempt of N-type regions that are practically of full use for the charged-particle spectrometers and/or accelerators. In this Abel-transform approach, the superposition principle simplifies the derivation of X{sub A}(U) satisfying the extended isochronicity condition. Although the extended isochronicity condition inevitably discards the low-energy particles, there is no problem for handling accelerated particles because they do not involve the small-amplitude oscillations around the potential minimum. We present analytic examples of X{sub A}(U) that are instructive. In Appendix B, Urabe's criterion is interpreted in the time domain, using the Abel-transform approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells

We employed density functional theory to explore the stability of core (M = Cu, Ru, Rh, Pd, Ag, Os, Ir, Au)-shell (Pt) catalysts under harsh conditions, including solutions and reaction intermediates involved in the oxygen reduction reaction (ORR) in fuel cells. A pseudomorphic surface alloy (PSA) with a Pt monolayer (Pt{sub 1ML}) supported on an M surface, Pt{sub 1ML}/M(111) or (001), was considered as a model system. Different sets of candidate M cores were identified to achieve a stable Pt{sub 1ML} shell depending on the conditions. In vacuum conditions, the Pt{sub 1ML} shell can be stabilized on the most of M cores except Cu, Ag, and Au. The situation varies under various electrochemical conditions. Depending on the solutions and the operating reaction pathways of the ORR, different M should be considered. Pd and Ir are the only core metals studied, being able to keep the Pt{sub ML} shell intact in perchloric acid, sulfuric acid, phosphoric acid, and alkaline solutions as well as under the ORR conditions via different pathways. Ru and Os cores should also be paid attention, which only fall during the ORR via the *OOH intermediate. Rh core works well as long as the ORR does not undergo the pathway via *O intermediate. Our results show that PSAs can behave differently from the near surface alloy, Pt{sub 1ML}/M{sub 1ML}/Pt(111), highlighting the importance of considering both chemical environments and the atomic structures in rational design of highly stable core-shell nanocatalysts. Finally, the roles that d-band center of a core M played in determining the stability of supported Pt{sub 1ML} shell were also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dissecting the metabolic reprogramming of maize root under nitrogen-deficient stress conditions

The growth and development of maize (Zea mays L.) largely depends on its nutrient uptake through the root. Hence, studying its growth, response, and associated metabolic reprogramming to stress conditions is becoming an important research direction. A genome-scale metabolic model (GSM) for the maize root was developed to study its metabolic reprogramming under nitrogen stress conditions. The model was reconstructed based on the available information from KEGG, UniProt, and MaizeCyc. Transcriptomics data derived from the roots of hydroponically grown maize plants were used to incorporate regulatory constraints in the model and simulate nitrogen-non-limiting (N+) and nitrogen-deficient (N-) condition. Model-predicted flux-sum variability analysis achieved 70% accuracy compared with the experimental change of metabolite levels. In addition to predicting important metabolic reprogramming in central carbon, fatty acid, amino acid, and other secondary metabolism, maize root GSM predicted several metabolites (l-methionine, l-asparagine, l-lysine, cholesterol, and l-pipecolate) playing a regulatory role in the root biomass growth. Furthermore, this study revealed eight phosphatidylcholine and phosphatidylglycerol metabolites which, even though not coupled with biomass production, played a key role in the increased biomass production under N-deficient conditions. Overall, the omics-integrated GSM provides a promising tool to facilitate stress condition analysis for maize root and engineer better stress-tolerant maize genotypes.

Plant Sciences↗
DOE OSTI2020

Highlighting the Impact of Yaw Control by Parsing Atmospheric Conditions Based on Total Variation: Preprint

Identification of atmospheric conditions within a multivariate atmospheric dataset is a necessary step in the validation of wind plant control strategies. Most often, operating conditions are characterized in terms of aggregated observations and assume that the atmosphere is 'quasi-steady'. Aggregation of observations without regard to covariance between time series discounts the dynamical nature of the atmosphere and is not sufficiently representative of wind plant operating conditions. Identification and characterization of continuous time periods with atmospheric conditions that have a high value for analysis or simulation sets the stage for more advanced model validation and the development of real-time control and operation strategies. Controlling observational data for statistical stationarity highlights significant enhancements to the power production of waked turbines under wake steering wind plant control. Considering the combined energy ratio of the turbine to which yaw offsets are prescribed as well as the waked turbine show only moderate improvements when filtering for total validation. The same quality control that highlights wake steering also serves to underpin the off-nominal operation of the controlled turbine.

17 WIND ENERGY↗
DOE OSTI2023

Voltage-Based Strategies for Preventing Battery Degradation under Diverse Fast-Charging Conditions

Maintaining safe operating conditions is a key challenge for high-performance lithium-ion battery applications. The lithium-plating reaction remains a risk during charging, but limited studies consider the highly variable charging conditions possible in commercial cells. Here we combine pseudo-2D electrochemical modeling with data visualization methods to reveal important relationships between the measurable cell voltage and difficult-to-predict Li-plating onset criteria. An extensively validated model is used to compute Li plating for thousands of multistep charging conditions spanning diverse rates, temperatures, states-of-charge, and cell aging. Here we observe an empirical cell operating voltage limit below which plating does not occur across all conditions, and this limit varies with the battery state-of-charge and aging. A model sensitivity analysis also indicates that, when comparing two charging voltage profiles, the capacity difference at 4.0 V correlates well with the difference in the plating onset capacity. These results encourage simple strategies for Li-plating prevention that are complementary to existing battery controls.

25 ENERGY STORAGE↗
DOE OSTI2014

Atomistic simulation study of short pulse laser interactions with a metal target under conditions of spatial confinement by a transparent overlayer

The distinct characteristics of short pulse laser interactions with a metal target under conditions of spatial confinement by a solid transparent overlayer are investigated in a series of atomistic simulations. The simulations are performed with a computational model combining classical molecular dynamics (MD) technique with a continuum description of the laser excitation, electron-phonon equilibration, and electronic heat transfer based on two-temperature model (TTM). Two methods for incorporation of the description of a transparent overlayer into the TTM-MD model are designed and parameterized for Ag-silica system. The material response to the laser energy deposition is studied for a range of laser fluences that, in the absence of the transparent overlayer, covers the regimes of melting and resolidification, photomechanical spallation, and phase explosion of the overheated surface region. In contrast to the irradiation in vacuum, the spatial confinement by the overlayer facilitates generation of sustained high-temperature and high-pressure conditions near the metal-overlayer interface, suppresses the generation of unloading tensile wave, decreases the maximum depth of melting, and prevents the spallation and explosive disintegration of the surface region of the metal target. At high laser fluences, when the laser excitation brings the surface region of the metal target to supercritical conditions, the confinement prevents the expansion and phase decomposition characteristic for the vacuum conditions leading to a gradual cooling of the hot compressed supercritical fluid down to the liquid phase and eventual solidification. The target modification in this case is limited to the generation of crystal defects and the detachment of the metal target from the overlayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Experimental Evaluation of Grid Support Enabled PV Inverter Response to Abnormal Grid Conditions

As revised interconnection standards for grid-tied photovoltaic (PV) inverters address new advanced grid support functions (GSFs), there is increasing interest in inverter performance in the case of abnormal grid conditions. The growth of GSF-enabled inverters has outpaced the industry standards that define their operation, although recently published updates to UL1741 Supplement SA define test conditions for GSFs such as volt-var control, frequency-watt control, and voltage/frequency ride-through, among others. This paper describes the results of a comparative experimental evaluation on four commercially available, three-phase PV inverters in the 24.0-39.8 kVA power range on their GSF capability and its effect on abnormal grid condition response. The evaluation examined the impact particular GSF implementations have on run-on times during islanding conditions, peak voltages in load rejection overvoltage scenarios, and peak currents during single-phase and three-phase fault events for individual inverters. Testing results indicated a wide variance in the performance of GSF enabled inverters to various test cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Metabolic Interactions between Brachypodium and Pseudomonas fluorescens under Controlled Iron-Limited Conditions

Plant iron (Fe) nutritional status has a significant impact on rhizosphere microbial communities. While this effect has been attributed to alterations in the composition of root exudates, the underlying mechanisms are not known. Here, we investigated the effect of Fe deficiency on the interactions between the grass Brachypodium distachyon and the common soil bacteria Pseudomonas fluorescens SBW25. Increased phytosiderophore production was the most significant response of Brachypodium root exudation to Fe deficiency. We observed upregulated expression of phytosiderophore biosynthesis genes but lower accumulated exudate concentrations in the presence of Pseudomonas, indicating that the bacteria degrade these phytosiderophores. Pseudomonas did not produce endogenous siderophores under the low Fe conditions. Rather, the bacterial transcriptome revealed upregulation of four genes in response to Fe deficiency that contain motifs associated with cellular uptake of small molecules. Collectively, these results suggest that rhizosphere Pseudomonas fluorescens may take up phytosiderophores produced by grasses in response to Fe deficiency, and we propose target genes that may be involved. Our findings provide insight into the molecular basis for the exchange of C, N, and Fe between plants and bacteria under Fe deficient conditions. These interactions may contribute to differences in the rhizosphere microbial community structure across soil pH regimes.

Boiteau, Rene M.↗
DOE OSTI2021

A Framework for Characterizing the Initial Thermal Conditions of Light-Duty Vehicles in Response to Representative Utilization Patterns, Ambient Conditions, and Vehicle Technologies

It is widely understood that the thermal state of a light-duty vehicle at the beginning of a trip influences the vehicle performance throughout the drive cycle. Cold starts, or initial states with component temperatures near ambient conditions, are strongly correlated with reduced vehicle performance and energy efficiency and with increased emissions. Despite this understanding, there is little literature available that characterizes initial thermal states beyond empirical studies and simplified analyses of dwell times. We introduce a framework that considers vehicle activity patterns, including the previous drive event, duration of the previous dwell event, and relevant ambient conditions occurring during these events. Moreover, the framework allows for technologies to influence the prominence of cold starts and warm starts. An example application of the methodology using a powertrain model approach revealed the significance of all constituent factors: controlling for ambient conditions, the shortest dwell lengths corresponded to an average initial oil temperature of 70°C versus 23°C for the long dwell length simulations, and aggressive conditioning cycles corresponded to an average initial oil temperature of 51°C versus only 35°C for a short conditioning cycle. The coldest ambient conditions evaluated (-30°C to -10°C) produced a weighted initial oil temperature of 19°C versus 57°C for the warmest ambient conditions evaluated (30°C to 50°C). Finally, we introduce weighting factors that account for the real-world frequency of conditioning cycle and dwell length combinations. The procedure outlined may be useful for discovering real-world performance improvements associated with vehicle technologies, a topic of interest to both vehicle manufacturers and regulators.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Ice nucleation activity of diesel soot particles at Cirrus relevant conditions: Effects of hydration, secondary organics coating, hydration, soot morphology, and coagulation

The role of atmospheric relevant soot particles that are processed in the atmosphere toward ice nucleation at cirrus cloud condition is poorly understood. In this study, the ice nucleating properties of diesel soot particles subjected to various physical and chemical aging treatments were investigated at temperatures ranging from -40 to -50 °C. We show that bare soot particles nucleate ice in deposition mode, but coating with secondary organics suppresses the heterogeneous ice nucleation potential of soot particles requiring homogeneous freezing threshold conditions. However, the ice nucleation efficiency of soot particles coated with an aqueous organic layer was similar to bare soot particles. Hydration of bare soot particles slightly enhanced the ice nucleation efficiency, and the IN abilities of compact soot particles (roundness = ~ 0.6) were similar to bare lacey soot particles (roundness = ~ 0.4). These results indicate that ice nucleation properties are sensitive to the various aging treatments.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2021

Role of Inlet Boundary Conditions on Fuel-Air Mixing at Supercritical Conditions

Advanced engine design and alternative fuels present the possibility of fuel injection at purely supercritical conditions in diesel engines and gas turbines. The complex interactions that govern this phenomenon still need significant research, particularly the boundary conditions for fuel injection are critical for accurate simulation. However, the flow inside the injector itself is often omitted to reduce the computational efforts, and thus, velocity, mass flux, or total pressure is specified at the injector exit (or domain inlet), often with simplified velocity profiles and turbulence levels. This simplified inlet boundary treatment has minimal effects on results for conventional fuel injection conditions, however, the validity of this approach at supercritical conditions has not been assessed. Comprehensive real-gas and binary fluid mixing models have been implemented for computational fluid dynamics (CFD) analysis of fuel-air mixing at supercritical conditions. The model is verified using prior CFD results from the literature. The model is used to investigate the effects of the shape of axial velocity and mass fraction profiles at the inlet boundary with the goal to improve the comparison of predictions to experimental data. Results show that the boundary conditions have a significant effect on the predictions, and none of the cases match precisely with experimental data. Furthermore, the study reveals that the physical location of the inlet boundary might be difficult to infer correctly from the experiments and highlights the need for high-quality, repeatable measurements at supercritical conditions to support the development of relevant high-fidelity models for fuel-air mixing.

02 PETROLEUM↗
DOE OSTI2017

Diffusion Creep of Enstatite at High Pressures Under Hydrous Conditions: Diffusion Creep of Hydrous Enstatite

Mantle convection and large-scale plate motion depend critically on the nature of the lithosphere-asthenosphere boundary and thus on the viscosity structure of Earth's upper mantle, which is determined by the rheological properties of its constituent minerals. To constrain the flow behavior of orthopyroxene, the second most abundant constituent of the upper mantle, deformation experiments were carried out in triaxial compressive creep on fine-grained (~6 μm) samples of enstatite at high pressures (3.8–6.3 GPa) and high temperatures (1323–1573 K) using a deformation-DIA apparatus. Based on results from this study, the deformation behavior of enstatite is quantitatively presented in the form of a flow law that describes the dependence of deformation rate on differential stress, water fugacity, temperature, and pressure. Specifically, the creep rate depends approximately linearly on stress, indicating deformation in the diffusion creep regime. A least squares regression fit to our data yielded a flow law for diffusion creep with an activation energy of ~200 kJ/mol and an activation volume of ~14 × 10 -6 m 3 /mol. The magnitude of the water-weakening effect is similar to that for olivine with a water fugacity exponent of r ≈ 0.7. This strong dependence of viscosity on water fugacity (concentration) indicates that the viscosity of an orthopyroxene-bearing mantle varies from one geological setting to another, depending on the large-scale water distribution. Based on the rheology contrast between olivine and enstatite, we conclude that olivine is weaker than enstatite throughout most of the upper mantle except in some shallow regions in the diffusion creep regime.

36 MATERIALS SCIENCE↗