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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations

In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.

Wigner distribution↗
DOE OSTI2020

The Coupled Influence of Thermal Physiology and Biotic Interactions on the Distribution and Density of Ant Species along an Elevational Gradient

A fundamental tenet of biogeography is that abiotic and biotic factors interact to shape the distributions of species and the organization of communities, with interactions being more important in benign environments, and environmental filtering more important in stressful environments. This pattern is often inferred using large databases or phylogenetic signal, but physiological mechanisms underlying such patterns are rarely examined. We focused on 18 ant species at 29 sites along an extensive elevational gradient, coupling experimental data on critical thermal limits, null model analyses, and observational data of density and abundance to elucidate factors governing species’ elevational range limits. Thermal tolerance data showed that environmental conditions were likely to be more important in colder, more stressful environments, where physiology was the most important constraint on the distribution and density of ant species. Conversely, the evidence for species interactions was strongest in warmer, more benign conditions, as indicated by our observational data and null model analyses. Our results provide a strong test that biotic interactions drive the distributions and density of species in warm climates, but that environmental filtering predominates at colder, high-elevation sites. Such a pattern suggests that the responses of species to climate change are likely to be context-dependent and more specifically, geographically-dependent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Measurement placement in electric power transmission and distribution grids: Review of concepts, methods, and research needs

Sensing and measurement systems are quintessential to the safe and reliable operation of electric power grids. Their strategic placement is of ultimate importance because it is not economically viable to install measurement systems on every node and branch of a power grid, though they need to be monitored. An overwhelming number of strategies have been developed to meet oftentimes multiple conflicting objectives. The prime challenge in formulating the problem lies in developing a heuristic or an optimisation model that, though mathematically tractable and constrained in cost, leads to trustworthy technical solutions. Further, large-scale, long-term deployments pose additional challenges because the boundary conditions change as technologies evolve. For instance, the advent of new technologies in sensing and measurement, as well as in communications and networking, might impact the cost and performance of available solutions and shift initially set conditions. Also, the placement strategies developed for transmission grids might not be suitable for distribution grids, and vice versa, because of unique characteristics; therefore, the strategies need to be flexible, to a certain extent, because no two power grids are alike. Despite the extensive literature on the present topic, the focus of published works tends to be on a specific subject, such as the optimal placement of measurements to ensure observability in transmission grids. There is a dearth of work providing a comprehensive picture for developing optimal placement strategies. Because of the ongoing efforts on the modernisation of electric power grids, there is a need to consolidate the status quo while exposing its limitations to inform policymakers, industry stakeholders, and researchers on the research-and-development needs to push the boundaries for innovation. Accordingly, this paper first reviews the state-of-the-art considering both transmission and distribution grids. Then, it consolidates the key factors to be considered in the problem formulation. Finally, it provides a set of perspectives on the measurement placement problem, and it concludes with future research directions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Detecting Anomalies for Fire Prevention in Distribution Systems: Challenges and Analytical Techniques

Electric utilities in California have historically been linked to up to 10% of wildfires. To mitigate this risk, Southern California Edison has invested significantly in wildfire prevention strategies, including undergrounding cables and enhancing equipment inspections. This article explores a novel approach to fire prevention by detecting anomalies in the distribution system that may indicate potential fire hazards. The focus is on identifying arcing conditions through high-resolution point-on-wave (POW) measurements. Arcing, a precursor to fires, is challenging to detect due to its subtle transients and complex system topology. The article discusses the use of advanced signal processing and machine learning techniques, such as spectral correlation function and discrete wavelet transform, to extract features from POW data and accurately identify arcing events. The study demonstrates a high accuracy rate in detecting arcing, paving the way for improved fire prevention measures in electric distribution systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Estimating the Contributions to Human Error Probability from the Convolution of the Distribution of Time Available and Time Required

As part of their duties, Human Reliability Analysis must often evaluate if crews in nuclear power plants (NPPs) can complete tasks associated with a human-failure event within time limits. For example, the time required in NPP scenarios is determined by systematic and structured walkthroughs, feasibility studies, recorded times from training exercises, and interviews with experienced operators and experts. Typically, a point estimate is derived for the estimate (mean, maximum, or 95th percentile of time required). Using point-estimate values can mask the risk associated with variability among crews, plant conditions and set-up, environmental conditions, and other impact factors under which these actions are executed. While point estimates for time required and time available have served the industry well, without considering the uncertainty they could lead to biased understanding about the risk. The Integrated Human Event Analysis System - General Methodology (IDHEAS-G) model (developed by the US Nuclear Regulatory Commission, NRC) for human error probability calculates human error probability by summing two probabilities: insufficient time and cognitive error. As such, the model takes a more holistic approach by considering the full distributions for time required and time available to calculate the human error probability because the time available to complete the task is insufficient. In this study, we expand on the work of the NRC and discuss methods for estimating these time considerations. For example, for the time required, the impact of Performance Influencing Factors (PIFs) on the distribution was divided into impacts that are aleatory in nature, such as crew-to-crew variability, and those that are epistemic (i.e., the PIFs). Starting with the factors that introduce aleatory uncertainty, a first-order distribution was developed from a large set of time required (i.e., NPP task completion times) data for the range of operator actions that occur in the NPP control room under simulated accident conditions. The first-order distribution can then be adjusted to account for epistemic uncertainty using research associated with the impact of applicable PIFs on the time required. We also develop guidance for analysts to address the probability distributions for the time available. The guidance we developed on how to estimate time required and time available distributions is based on the identification of pertinent research and data, data analyses, and expert knowledge elicitation.

human error probability, human performance, time e↗
DOE OSTI2022

Numerical Analysis of Liquid Metal MHD Flow and Heat Transfer for Open-Surface Li Divertor in FNSF

Within the ongoing U.S.-based program on the development of liquid metal plasma-facing components, numerical simulations and analyses are performed to address the feasibility of the open-surface Li divertor. In the previous scoping studies (Smolentsev, 2021), heat-removal capabilities of the divertor were assessed using a simplified flow model for a slug-type velocity profile and constant flow thickness. Here, new analyses take into account forces acting on the flowing Li layer. Three reduced-order mathematical models are applied under the conditions of the U.S. Fusion Nuclear Science Facility (FNSF) to access magnetohydrodynamic (MHD) flow development effects, velocity distribution, and surface waves: 1) fully developed MHD flow; 2) quasi-2-D developing MHD flow; and 3) multiphase MHD flow. The obtained results for MHD flows and the surface heat flux computed with the plasma code scrape-off layer plasma simulation for ITER (SOLPS-ITER) are then used as input data to compute the temperature distribution in the divertor by solving the convection–diffusion energy equation.

Smolentsev, Sergey↗
DOE OSTI2023

Incombustible Polymer Electrolyte Boosting Safety of Solid–State Lithium Batteries: A Review

Lithium-ion batteries with their portability, high energy density, and reusability are frequently used in today's world. Under extreme conditions, lithium-ion batteries leak, burn, and even explode. Therefore, improving the safety of lithium-ion batteries has become a focus of attention. Researchers believe using a solid electrolyte instead of a liquid one can solve the lithium battery safety issue. Due to the low price, good processability and high safety of the solid polymer electrolytes, increasing attention have been paid to them. However, polymer electrolytes can also decompose and burn under extreme conditions. Moreover, lithium dendrites are formed continuously due to the uneven charge distribution on the surface of the lithium metal anode. A short circuit caused by a lithium dendrite can cause the battery to thermal runaway. As a result, the safety of polymer solid-state batteries remains a challenge. In this review, the thermal runaway mechanism of the batteries is summarized, and the batteries abuse test standard is introduced. In addition, the recent works on the high-safety polymer electrolytes and the solution strategies of lithium anode problems in polymer batteries are reviewed. Finally, the development direction of safe polymer solid lithium batteries is prospected.

25 ENERGY STORAGE↗
DOE OSTI2024

Leveraging Extremal Dependence to Better Characterize the 2021 Pacific Northwest Heatwave

Abstract In late June, 2021, a devastating heatwave affected the US Pacific Northwest and western Canada, breaking numerous all-time temperature records by large margins and directly causing hundreds of fatalities. The observed 2021 daily maximum temperature across much of the U.S. Pacific Northwest exceeded upper bound estimates obtained from single-station temperature records even after accounting for anthropogenic climate change, meaning that the event could not have been predicted under standard univariate extreme value analysis assumptions. In this work, we utilize a flexible spatial extremes model that considers all stations across the Pacific Northwest domain and accounts for the fact that many stations simultaneously experience extreme temperatures. Our analysis incorporates the effects of anthropogenic forcing and natural climate variability in order to better characterize time-varying changes in the distribution of daily temperature extremes. We show that greenhouse gas forcing, drought conditions and large-scale atmospheric modes of variability all have significant impact on summertime maximum temperatures in this region. Our model represents a significant improvement over corresponding single-station analysis, and our posterior medians of the upper bounds are able to anticipate more than 96% of the observed 2021 high station temperatures after properly accounting for extremal dependence. Supplementary materials accompanying this paper appear online.

Zhang, Likun (ORCID:0000000154584556)↗
DOE OSTI2020

Impact of the adhesion-force lever-arm “a” on the Rock ‘n’ Roll resuspension model and how to compute it from contact mechanics

The paper proposes a methodology to fill a gap in the context of mechanistic particle resuspension models related to the adhesion and lift force lever arms ( a ): to date, only one experimental observation exists from a centrifuge experiment with a specific particle/surface pair which found r P / a = 100 and assumed that the contact points were symmetric with respect to the particle center. However, the Reeks and Hall’s (2001) model is highly sensitive to this parameter, which therefore cannot be used as-is for different particle diameters or materials. This paper proposes a methodology to compute the adhesion and lift force lever arms ( a A and a L , respectively) based on Atomic Force Microcopy (AFM) surface roughness measurements and contact mechanics arguments. In practice, a spherical, perfectly smooth particle is brought in contact (computationally) with the measured surface roughness and is then rotated by the point of contact to determine the two or more asperities over which the particle would sit on the surface. A method to compute the asperity radius of curvature is devised to compute the asperity deformation and the correct partitioning of the total deformation between the particle and the asperity is presented. For the glass surface under consideration, the asperity deformation was negligible, i.e., it was below the van der Waals radius, which is the limit of applicability of contact mechanics. The Reeks and Hall’s (2001) model is then extended to account for the joint probability of a A and a L . Significant differences in particle resuspended after a day in common atmospheric conditions are found between the approach that uses the lever-arm distributions or their mean values. Also, important differences are found when comparing the lever-arm distribution and r P / a = 100. Hence, one should be cautious of using r P / a = 100 for surface/particle pairs differing from those in the original study. Finally, limits of applicability of the theories used are presented together with considerations regarding how to extend the method to non-spherical particles and different materials.

42 ENGINEERING↗
DOE OSTI2024

Characteristics of oxide-dispersion strengthened alloys produced by high-temperature severe deformation

This study is to explore an economically attractive and technically feasible processing method for oxide-nanoparticle strengthened alloys for fusion reactor application. Despite many scientific merits of the advanced oxide-dispersion strengthened (ODS) alloys, such as the nanostructured ferritic alloy (NFA) 14YWT, the only viable production path for a high-quality NFA is the high-power mechanical alloying process. This process is often a multi-day high-speed ball milling of alloy powder with a small quantity of yttria (Y 2 O 3 ) powder, followed by the milled-powder consolidation using extrusion or other methods and additional thermomechanical processing (TMP) for property control. This complex production path, including the low-temperature mechanical alloying in particular, has limited technical advancement toward the cost-effective and scale-up production of ODS alloy components. To overcome such a practical limitation, we proposed to explore alternative low-cost processing routes using traditional thermomechanical processing (TMP) method only. Further, a series of continuous TMP cycles, which were designed to impose high-temperature severe plastic deformation (HT-SPD) conditions to the consolidated powder mixtures, were applied to achieve the effective distribution of oxide particles in nanograin structure and thus desirable mechanical properties. Since the reduced-activation ferritic-martensitic (RAFM) alloy powders (Fe-10Cr and Fe-14Cr alloys with various Y contents) are available in our inventory, we focused to utilize the new solid-state synthesis approach for controlling oxide (oxygen source) dissolution and nanoscale clustering in nanograin structure in those alloys. A combination of powder consolidation at 900 °C and continuous thermomechanical activation at 600 °C yielded two essential ODS alloy microstructure contents–nanograin structure and nanoparticle distribution–and thus demonstrated a good combination of strength and ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On the thermal coarsening and transformation of nanoscale oxide inclusions in 316L stainless steel manufactured by laser powder bed fusion and its influence on impact toughness

The thermal evolution of nanoscale oxide inclusions in 316L stainless steel (SS) manufactured by laser powder bed fusion additive manufacturing (AM) was explored. The size, chemical composition, morphology, and distribution of the oxides were characterized as the function of heat treatment conditions. The study revealed the mechanistic driving force of the rapid oxide coarsening during recrystallization. Ostwald ripening governs oxide coarsening. The active grain boundary-oxide interaction at the early stage of recrystallization accelerated oxide coarsening via enhanced solute diffusion along grain boundaries. Pipe diffusion along dislocation cellular boundaries has a negligible contribution to oxide coarsening. At high temperatures (T> 1065 °C), although lattice diffusion primarily controlled the oxide growth, the contribution from the grain-boundary diffusion was necessary. The transformation from MnSiO 3 to CrMn 2 O 4 took place in the un-recrystallized grains but was not observed when recrystallization started. The interaction of grain boundary and oxides during recrystallization resulted in a high fraction of oxides accumulated at grain boundaries. While oxide coarsening does not significantly alter the toughness value, grain-boundary oxides promote microvoid formation and intergranular fracture under Charpy impact in the recrystallized AM 316L SS.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A potential model study of the nucleon's charge and mass radius

We study the charge and mass distributions within a nucleon and compute the associated squared radii based on a potential model approach. Different constituent quark configurations such as Δ, Y, and quark-diquark are considered and compared, with model parameters calibrated by experimental measurements of the proton and neutron charge radius. The results suggest that while the charge radius is dictated by quark dynamics, the mass radius is strongly influenced by nonperturbative QCD contributions to a nucleon's mass that are not sensitive to the constituent quarks. As a result, the mass radius could become substantially different from the charge radius. The obtained nucleon mass distributions of different configurations are further used for simulations of the initial conditions in heavy ion collisions. Furthermore, the computed eccentricities ε 2 and ε 3 are found to demonstrate a considerable sensitivity to the input nucleon profiles, especially to the mass radius in the peripheral region as well as for systems with fewer participants.

Gallimore, Daniel [Indiana University, Bloomington↗
DOE OSTI2022

Distinct dynamical and structural properties of marine stratocumulus and shallow cumulus clouds in the Eastern North Atlantic

Low-level clouds in a marine environment are examined using multiple ground-based instruments. Here, we used Doppler radar and Doppler lidar measurements (1) to examine cloud properties including cloud base and top height and thickness and (2) to investigate vertical velocity (w) statistics throughout the subcloud and in-cloud layers. Marine stratocumulus (Sc) and shallow cumulus (Cu) clouds have distinct properties in their horizontal and vertical extent. We also find that the two cloud types have different thermodynamic (coupled and decoupled conditions) and dynamical characteristics for the first four moments of the w distributions (mean, variance, skewness, and kurtosis). We identify a strong dependence of subcloud mean w on near-surface horizontal wind direction, implying that topographic effects exert a substantial impact on boundary layer dynamics and cloud properties at Graciosa Island. Our findings strongly suggest that care must be taken when interpreting island-based observations as representative of a generic marine dynamical environment. This information also can be useful for guiding and constraining the future global model development using observational dataset.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Designing a Convection‐Cloud Chamber for Collision‐Coalescence Using Large‐Eddy Simulation With Bin Microphysics

Abstract Collisional growth of cloud droplets is an essential yet uncertain process for drizzle and precipitation formation. To improve the quantitative understanding of this key component of cloud‐aerosol‐turbulence interactions, observational studies of collision‐coalescence in a controlled laboratory environment are needed. In an existing convection‐cloud chamber (the Pi Chamber), collisional growth is limited by low liquid water content and short droplet residence times. In this work, we use numerical simulations to explore various configurations of a convection‐cloud chamber that may intensify collision‐coalescence. We employ a large‐eddy simulation (LES) model with a size‐resolved (bin) cloud microphysics scheme to explore how cloud properties and the intensity of collision‐coalescence are affected by the chamber size and aspect ratio, surface roughness, side‐wall wetness, side‐wall temperature arrangement, and aerosol injection rate. Simulations without condensation and evaporation within the domain are first performed to explore the turbulence dynamics and wall fluxes. The LES wall fluxes are used to modify the Scalar Flux‐budget Model, which is then applied to demonstrate the need for non‐uniform side‐wall temperature (two side walls as warm as the bottom and the two others as cold as the top) to maintain high supersaturation in a tall chamber. The results of LES with full cloud microphysics reveal that collision‐coalescence is greatly enhanced by employing a taller chamber with saturated side walls, non‐uniform side‐wall temperature, and rough surfaces. For the conditions explored, although lowering the aerosol injection rate broadens the droplet size distribution, favoring collision‐coalescence, the reduced droplet number concentration decreases the frequency of collisions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Role of an ancient light-harvesting protein of PSI in light absorption and photoprotection

Diverse algae of the red lineage possess chlorophyll a-binding proteins termed LHCR, comprising the PSI light-harvesting system, which represent an ancient antenna form that evolved in red algae and was acquired through secondary endosymbiosis. However, the function and regulation of LHCR complexes remain obscure. Here we describe isolation of a Nannochloropsis oceanica LHCR mutant, named hlr1, which exhibits a greater tolerance to high-light (HL) stress compared to the wild type. We show that increased tolerance to HL of the mutant can be attributed to alterations in PSI, making it less prone to ROS production, thereby limiting oxidative damage and favoring growth in HL. HLR1 deficiency attenuates PSI light-harvesting capacity and growth of the mutant under light-limiting conditions. We conclude that HLR1, a member of a conserved and broadly distributed clade of LHCR proteins, plays a pivotal role in a dynamic balancing act between photoprotection and efficient light harvesting for photosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Fractional Laplacian spectral approach to turbulence in a dusty plasma monolayer

This work presents an analytical investigation of anomalous diffusion and turbulence in a dusty plasma monolayer, where energy transport across scales leads to the spontaneous formation of spatially disordered patterns. Many-body simulations of 10,000-particle dusty plasma monolayers are used to demonstrate how the global dynamics depend on the statistical properties of the dust assembly for realistic laboratory conditions. We find that disorder due to variations in the dust size distribution and charge-driven nonlocal interactions resulting in anomalous dust diffusion are key factors for the onset of instabilities. The resulting dynamics exhibit features of inertial turbulence over slightly more than half a decade of scales proportional or smaller than the Debye shielding length. These processes are examined analytically using a recently developed Fractional Laplacian Spectral (FLS) technique, which identifies the active energy channels as a function of scale, disorder concentration, and features of the nonlocal-interactions. The predictions from the theoretical (spectral) analysis demonstrate agreement with the results from the many-body (kinetic) simulations, thus providing a powerful tool for the study of active turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The DESI One-Percent survey: exploring the Halo Occupation Distribution of Emission Line Galaxies with AbacusSummit simulations

The One-Percent survey of the Dark Energy Spectroscopic Instrument collected ~ 270k emission line galaxies (ELGs) at 0.8 < z < 1.6. The high completeness of the sample allowed the clustering to be measured down to scales never probed before, 0.04 Mpc/h in rp for the projected 2-point correlation function (2PCF) and 0.17 Mpc/h in galaxy pair separation s for the 2PCF monopole and quadrupole. The most striking feature of the measurements is a strong signal at the smallest scales, below 0.2 Mpc/h in rp and 1 Mpc/h in s. We analyse these data in the halo occupation distribution framework. We consider different distributions for central galaxies, a standard power law for satellites with no condition on the presence of a central galaxy and explore several extensions of these models. For all considered models, the mean halo mass of the sample is found to be log10 $\langle$Mh$\rangle$ ~ 11.9. We obtain a satellite mean occupation function which agrees with physically motivated ELG models only if we introduce central-satellite conformity, meaning that the satellite occupation is conditioned by the presence of central galaxies of the same type. To achieve in addition a good modelling of the clustering between 0.1 and 1 Mpc/h in rp, we allow for ELG positioning outside of the halo virial radius and find 0.5% of ELGs residing in the outskirts of halos. Furthermore, the satellite velocity dispersion inside halos is found to be ~ 30% larger than that of the halo dark matter particles. These are the main findings of our work. Here we investigate assembly bias as a function of halo concentration, local density or local density anisotropies and observe no significant change in our results. We split the data sample in two redshift bins and report no significant evolution with redshift. Lastly, changing the cosmology in the modelling impacts only slightly our results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cauchy-type integral method for solving the linearized one-dimensional Vlasov-Poisson equation

Here, we present a method for solving the linearized Vlasov-Poisson equation, based on analyticity properties of the equilibrium and initial condition through Cauchy-type integrals, that produces algebraic expressions for the distribution and field, i.e., the solution is expressed without integrals. Standard extant approaches involve deformations of the Bromwich contour that give erroneous results for certain physically reasonable configurations or eigenfunction expansions that are misleading as to the temporal structure of the solution. Our method is more transparent, lacks these defects, and predicts previously unrecognized behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗