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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

2023 Real-time Optimization Workflow Status Update

Nuclear integrated energy systems are composed of a diverse set of energy generation sources and exist in dynamic and competitive electricity markets. With the inclusion of thermal energy storage, nuclear power systems can store heat for future use through various processes, such as water desalination or hydrogen generation. This heat storage can be managed in such a way as to economically optimize its usage. By combining real-time price data from the day-ahead and real-time markets with predictive and intelligent models, the charging and discharging of the thermal energy storage may be determined and optimized. This research details an approach through models and systems for the real-time optimization (RTO) of capacity allocation. Virtual models of the energy system and its physics phenomenon and component interactions provide intelligence to verification and prediction of operations. An optimization framework can use data generated from both a set of physical assets as well as the virtual models to predict future performance and create optimization and control workflows. Data warehouse technologies can be used to combine data across models, optimization workflows, market price data, and sensor data to intuitively store various types of data and provide integrations to physical control systems as well as user visualizations. Put together, these components can create a system for the RTO of nuclear integrated energy systems. Various virtual models and bench-scale physical demonstrations have been successfully performed and verified using this system. Larger scale testbeds that include thermal energy storage systems have been identified as future opportunities. A gap analysis that details the steps necessary to reach a physical demonstration at this scale is provided, along with conclusions on the current effort and future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2017

Practical Methodology for the Inclusion of Nonlinear Slosh Damping in the Stability Analysis of Liquid-Propelled Space Vehicles

One of the challenges of developing flight control systems for liquid-propelled space vehicles is ensuring stability and performance in the presence of parasitic minimally damped slosh dynamics in the liquid propellants. This can be especially difficult when the fundamental frequencies of the slosh motions are in proximity to the frequency used for vehicle control. The challenge is partially alleviated since the energy dissipation and effective damping in the slosh modes increases with amplitude. However, traditional launch vehicle control design methodology is performed with linearized systems using a fixed slosh damping corresponding to a slosh motion amplitude based on heritage values. This papers presents a method for performing the control design and analysis using damping at slosh amplitudes chosen based on the resulting limit cycle amplitude of the vehicle thrust vector system due to a control-slosh interaction under degraded phase and gain margin conditions.

Ottander, John A.↗
NASA NTRS2017

Practical Methodology for the Inclusion of Nonlinear Slosh Damping in the Stability Analysis of Liquid-propelled Space Vehicles

One of the challenges of developing flight control systems for liquid-propelled space vehicles is ensuring stability and performance in the presence of parasitic minimally damped slosh dynamics in the liquid propellants. This can be especially difficult when the fundamental frequencies of the slosh motions are in proximity to the frequency used for vehicle control. The challenge is partially alleviated since the energy dissipation and effective damping in the slosh modes increases with amplitude. However, traditional launch vehicle control design methodology is performed with linearized systems using a fixed slosh damping corresponding to a slosh motion amplitude based on heritage values. This papers presents a method for performing the control design and analysis using damping at slosh amplitudes chosen based on the resulting limit cycle amplitude of the vehicle thrust vector system due to a control-slosh interaction under degraded phase and gain margin conditions.

Ottander, John A.↗
DOE OSTI2025

Global quantification of the dispersion effect with POLDER satellite data

Increased aerosols can modify the shape of the cloud Particle Size Distribution (PSD), thereby influencing the radiative properties of clouds, known as the Dispersion Effect (DE). However, a global, observation-based quantification of its impact on Aerosol-Cloud Interactions (ACI) is lacking, leading to DE being typically ignored in satellite-based estimates of ACI forcing. Here we propose a physics-based method that combines polarimetric satellite data on cloud PSD to achieve global observational quantification of DE’s impact on ACI in liquid-phase stratiform clouds. Globally, DE offsets ACI changes induced by droplet number concentration variation and liquid water path adjustment by 7% and −1.4%, respectively. Furthermore, a parameterization based on the global dataset of PSD shape parameters is developed to improve DE estimation in large-scale models. Both the quantification and parameterization enhance our understanding of DE and facilitate the inclusion of this non-negligible impact of DE on ACI in estimating aerosol climate forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Continuous surface-to-distributed acoustic sensor snapshots explain reactivation of individual natural fractures during an unconventional reservoir stimulation

ABSTRACT Fiber-optic sensing technologies allow petroleum engineering teams to detect hydraulic fracture interaction with boreholes during unconventional reservoir stimulation. In combination with high-repeatability seismic sources, the same distributed acoustic sensors (DASs) enable vertical seismic profiling (VSP) of the fracture evolution away from the boreholes. We discovered clear signatures of seismic scattering on activated fractures during nine days of continuous seismic monitoring of the fracturing stages at the Austin Chalk/Eagle Ford Field Laboratory. The present study applies a novel approach for quantitative analysis of the scattering events in terms of the evolution of the geometry and elastic stiffness of individual fractures. Our characterization strategy sequentially refines the fracture models: from a stack of 1D soft layers to 3D rectangular inclusions. First, we estimate the number of fracture locations and reflectivity using a modified sparse-spike deconvolution of the stacked VSP traces. The fracture set consists of five fractures spaced by 15–30 m with a reflectivity of approximately 1%. Then, we develop a scattering integral method to refine these estimates along with an inversion of the fracture top and bottom for each monitoring vintage. We find that, initially, some of the fractures are located above the monitoring fiber with the height of approximately 100 m. Then we integrate the seismic interpretation with the low-frequency DAS and pressure and microseismic monitoring to reconstruct the activation process of the fractures. Most likely, some of the natural fractures slowly grew downward to the monitoring fiber as a result of fluid injections in the stimulated well. This led to bright strain anomalies but did not trigger seismicity. The top of the fractures remained almost constant and were limited by a lithologic boundary/stress barrier. To our knowledge, this is the first time VSP data enabled tracking of the fracture evolution with such high spatial and temporal resolution, which was previously only available for crosswell surveys and at a much smaller scale.

Glubokovskikh, Stanislav↗
DOE OSTI2025

Enhanced signal of momentum broadening in hard splittings for $γ$-tagged jets in a multistage approach

We investigate medium-induced modifications to jet substructure observables that characterize hard splitting patterns in central Pb-Pb collisions at the top energy of the Large Hadron Collider (LHC). Using a multistage Monte Carlo simulation of in-medium jet shower evolution, we explore flavor-dependent medium effects through simulations of inclusive and $γ$-tagged jets. The results show that quark jets undergo a non-monotonic modification compared to gluon jets in observables such as the Pb-Pb to $p$-$p$ ratio of the Soft Drop prong angle $r_g$, the relative prong transverse momentum $k_{T,g}$ and the groomed mass $m_g$ distributions. Due to this non-monotonic modification, $γ$-tagged jets, enriched in quark jets, provide surprisingly clear signals of medium-induced structural modifications, distinct from effects dominated by selection bias. This work highlights the potential of hard substructures in $γ$-tagged jets as powerful tools for probing the jet-medium interactions in high-energy heavy-ion collisions. All simulations for $γ$-tagged jet analyses carried out in this paper used triggered events containing at least one hard photon, which highlights the utility of these observables for future Bayesian analysis.

FOS: Physical sciences↗
NASA NTRS1990

An observational and theoretical study of Colorado lee cyclogenesis

A cyclogenesis event that occurred over Colorado in early March of 1981 is the focus of this study. Two features that seemed to play a role in storm initiation were a traveling upper troposphere disturbance associated with an undulation on the subtropical front and a warm-cored shallow surface trough that was guided along the eastern slope of the Rockies from Canada to Colorado. The arrival of the latter feature initiated a sudden shift of the surface flow from upslope to downslope on the eastern side of the continental divide. A time-dependent quasi-geostrophic model was used to study the interaction of the traveling short wave and a broad topographic surface ridge in the presence of a baroclinic mainly westerly background flow. Westerly and easterly background surface winds were used to determine whether the surface trough arrival had any influence on the vigor of lee cyclogenesis initiated by the upper troposphere short-wave trough. With surface westerlies rapid cyclogenesis occurred, while with surface easterlies little cyclogenesis was found to the east of the Rockies. Thus, the shallow surface trough's arrival seemed to be crucial to storm initiation. These findings were based on a linear model. It is shown, however, that the height of the Rockies necessitates the inclusion of finite amplitude effects associated with the lower boundary into the model.

Clark, John H. E.↗
NASA NTRS2004

Characterization of Asian Dust Properties Near Source Region During ACE-Asia

Asian dust typically originates in desert areas far from polluted urban regions. During transport, dust layers can interact with anthropogenic sulfate and soot aerosols from heavily polluted urban areas. Added to the complex effects of clouds and natural marine aerosols, dust particles reaching the marine environment can have drastically different properties than those from the source. Thus, understanding the unique temporal and spatial variations of Asian aerosols is of special importance in regional-to-global climate issues such as radiative forcing, the hydrological cycle, and primary biological productivity in the mid-Pacific Ocean. During ACE-Asia campaign, we have acquired ground- based (temporal) and satellite (spatial) measurements to infer aerosol physical/optical/radiative properties, column precipitable water amount, and surface reflectivity over this region. The inclusion of flux measurements permits the determination of aerosol radiative flux in addition to measurements of loading and optical depth. At the time of the Terra/MODIS, SeaWiFS, TOMS and other satellite overpasses, these ground-based observations can provide valuable data to compare with satellite retrievals over land. In this paper, we will demonstrate new capability of the Deep Blue algorithm to track the evolution of the Asian dust storm from sources to sinks. Although there are large areas often covered by clouds in the dust season in East Asia, this algorithm is able to distinguish heavy dust from clouds over the entire regions. Examination of the retrieved daily maps of dust plumes over East Asia clearly identifies the sources contributing to the dust loading in the atmosphe~~. We have compared the satellite retrieved aerosol optical thickness to the ground-based measurements and obtained a reasonable agreement between these two. Our results also indicate that there is a large difference in the retrieved value of spectral single scattering albedo of windblown dust between different sources in East Asia.

Tsay, Si-Chee↗
DOE OSTI2014

Collins and sivers effects in p↑p → jet πX: Universality and process dependence

In this paper we briefly review the transverse momentum dependent generalized parton model and its application to the study of azimuthal asymmetries in the distribution of leading hadrons (mainly pions) inside large transverse momentum jets inclusively produced in polarized proton-proton collisions. We put particular emphasis on the phenomenological interest of these observables, in combination with similar asymmetries measured in semi-inclusive deeply inelastic scattering, Drell-Yan processes and e{sup +} e{sup −} collisions, for the study of the universality properties of the transverse momentum dependent parton distribution and fragmentation functions. We present results for RHIC kinematics at center-of-mass energies √s = 200 and 500 GeV, for central and mainly forward jet rapidities, in particular for the Sivers distribution and the Collins fragmentation function, that are believed to be responsible for many of the largest asymmetries measured in the last years. We also briefly discuss the case of inclusive jet production and recent phenomenological applications of other theoretical approaches, like the colour gauge invariant generalized parton model and the collinear twist-three approach, aiming at clarifying the issues of the universality and process dependence of transverse momentum dependent functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Strong Sensitivity of Simulated Biomass Burning Aerosol Transport and Radiative Effects Over the South Atlantic to Carbonaceous Aerosol Aging and Particle Density

Biomass burning aerosol (BBA) impacts climate through aerosol‐cloud‐radiation interactions, but models disagree on the sign and magnitude of BBA radiative effects. We quantify the sensitivity of BBA radiative effects and transport to three BBA‐relevant processes and properties: parameterized oxidative aging of organic aerosol (OA), a combined change to black carbon (BC) density and the method for calculating aerosol refractive index, and reduction in OA density. We evaluate Unified Model simulations against two aircraft campaigns from summer 2017 over the Southeast Atlantic. The model generally performs well, such that discrepancies between the observational data sets may sometimes limit the precision of the evaluation. Our newly developed aging parameterization reproduces observed OA:BC mass ratios well and allows modeled OA:BC to decrease with smoke age, but increases bias in aerosol extinction and changes the BBA radiative effect little (+0.12 W m -2 ). We calculate aerosol refractive index using either a volume‐weighted component average or the Maxwell‐Garnett (MG) mixing assumption, which represents BC as small inclusions in a host material. Compared to MG mixing, the volume‐weighted average refractive index and reduced BC density increase aerosol absorption, substantially increasing the total BBA radiative effect (+2.66 W m -2 ) and amount of BBA transported across the ocean through BC self‐lofting. Reducing OA density to better match literature values changes the total BBA radiative effect by −1.96 W m -2 . Changes to direct radiative effects exceed changes to cloud radiative effects. Our findings emphasize the sensitivity of aerosol radiative effects and transport to these processes and properties, which we suggest could be improved in climate models.

Southeast Atlantic↗
DOE OSTI2014

Gaseous Chemistry and Aerosol Mechanism Developments for Version 3.5.1 of the Online Regional Model, WRF-Chem

We have made a number of developments in the regional coupled model WRF-Chem, with the aim of making the model more suitable for prediction of atmospheric composition and of interactions between air quality and weather. We have worked on the European domain, with a particular focus on making the model suitable for the study of night time chemistry and oxidation by the nitrate radical in the UK atmosphere. A reduced form of the Common Reactive Intermediates gas-phase chemical mechanism (CRIv2-R5) has been implemented to enable more explicit simulation of VOC degradation. N2O5 heterogeneous chemistry has been added to the existing sectional MOSAIC aerosol module, and coupled to both the CRIv2-R5 and existing CBM-Z gas phase scheme. Modifications have also been made to the sea-spray aerosol emission representation, allowing the inclusion of primary organic material in sea-spray aerosol. Driven by appropriate emissions, wind fields and chemical boundary conditions, implementation of the different developments is illustrated in order to demonstrate the impact that these changes have in the North-West European domain. These developments are now part of the freely available WRF-Chem distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

Mineralogy, Petrology, and Oxygen-isotope Compositions of Magnetite ± Fayalite Assemblages in CO3, CV3, and LL3 Chondrites

We report on the mineralogy, petrology, and O-isotope compositions of magnetite and fayalite (Fa90−100) from several metasomatically altered and weakly metamorphosed carbonaceous (Y-81020 [CO3.05], EET 90043 [CO3.1], MAC 88107 [CO3.1-like], and Kaba [oxidized Bali-like CV3.1]) and unequilibrated ordinary chondrites (UOCs; Semarkona [LL3.00], MET 00452 [LL3.05], MET 96503 [LL3.05], EET 910161 [LL3.05], Ngawi [LL3.0−3.6 breccia], and Vicencia [LL3.2]). In MAC 88107, EET 90043, and Kaba, nearly pure fayalite (Fa98−100) associates with phyllosilicates, magnetite, Fe, Ni-sulfides, and hedenbergite (Fs~50Wo~50), and occurs in all chondritic components—chondrules, matrices,and refractory inclusions. In UOCs, nearly pure fayalite (Fa95−98) associates withphyllosilicates and magnetite, and occurs mainly in matrices and fine-grained chondrulerims. Oxygen-isotope compositions of fayalite and magnetite in UOCs, COs, CVs, and MAC 88107 are in disequilibrium with those of chondrule olivine and low-Ca pyroxene phenocrysts, and plot along mass-dependent fractionation lines with slope of~0.5, butdifferent 17O (~+4.3 1.4‰,−0.2 0.6‰,−1.5 1‰, and−1.8 0.8‰, respectively). Based on the mineralogical observations, thermodynamic analysis, O-isotope compositions, and recently reported experimental data, we infer that (1) fayalite and magnetite in COs,CVs, MAC 88107, and UOCs resulted from aqueous fluid–rock interaction on the chondrite parent asteroids that occurred at low local water-to-rock mass ratios (0.1−0.4) and elevated temperatures (~100−300°C), and (2) 17O of fayalite and magnetite reflects O-isotope compositions of aqueous fluids on the host meteorite parent bodies. The observed differences in 17O of fayalite–magnetite assemblages in UOCs, CVs, COs, and MAC 88107suggest that water ices that accreted into the ordinary chondrite and carbonaceous chondrite parent asteroids had different 17O, implying spatial and/or temporal variations in O-isotope compositions of water in the protoplanetary disk.

Alexander N Krot↗
DOE OSTI2021

Calculating the hyperfine tensors for group-IV impurity-vacancy centers in diamond using hybrid density functional theory

The hyperfine interaction is an important probe for understanding the structure and symmetry of defects in a semiconductor. Density functional theory has shown that it can provide useful first-principles predictions for both the hyperfine tensor and the hyperfine constants that arise from it. Recently there has been great interest in using group-IV impurity-vacancy color centers XV – (where X = Si, Ge, Sn, or Pb and V is a carbon vacancy) for important applications in quantum computing and quantum information science. In this paper we have calculated the hyperfine tensors for these XV – color centers using the HSE06 screened Hartree-Fock hybrid exchange-correlation functional with the inclusion of core electron spin polarization. We have compared our results to calculations which only use the PBE exchange-correlation functional without the inclusion of core electron spin polarization and we have found that our results are in very good agreement with available experimental results. Lastly, we have theoretically shown that these XV – color centers exhibit a Jahn-Teller distortion which explains the observed anisotropic distribution of the hyperfine constants among the neighboring 13 C nuclear spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Differentiation of Microbial Species and Strains in Coculture Biofilms by Multivariate Analysis of Laser Desorption Postionization Mass Spectra

7.87 to 10.5 eV vacuum ultraviolet (VUV) photon energies were used in laser desorption postionization mass spectrometry (LDPI-MS) to analyze biofilms comprised of binary cultures of interacting microorganisms. The effect of photon energy was examined using both tunable synchrotron and laser sources of VUV radiation. Principal components analysis (PCA) was applied to the MS data to differentiate species in Escherichia coli-Saccharomyces cerevisiae coculture biofilms. PCA of LDPI-MS also differentiated individual E. coli strains in a biofilm comprised of two interacting gene deletion strains, even though these strains differed from the wild type K-12 strain by no more than four gene deletions each out of approximately 2000 genes. PCA treatment of 7.87 eV LDPI-MS data separated the E. coli strains into three distinct groups two ?pure? groups and a mixed region. Furthermore, the ?pure? regions of the E. coli cocultures showed greater variance by PCA when analyzed by 7.87 eV photon energies than by 10.5 eV radiation. Comparison of the 7.87 and 10.5 eV data is consistent with the expectation that the lower photon energy selects a subset of low ionization energy analytes while 10.5 eV is more inclusive, detecting a wider range of analytes. These two VUV photon energies therefore give different spreads via PCA and their respective use in LDPI-MS constitute an additional experimental parameter to differentiate strains and species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Influence of processing factors on the physical metallurgy of LENS deposited 316L stainless steel.

Directed energy deposition (DED) is a type of additive manufacturing (AM) process; Laser Engineered Net Shaping (LENS) is a commercial DED process. We are developing LENS technology for printing 316L stainless steel components for structural applications. It is widely known that material properties of AM components are process dependent, attributed to different molten metal incorporation and thermal transport mechanisms. This investigation focuses on process-structure-property relationships for LENS deposits for enabling the process development and optimization to control material property. We observed interactions among powder melting, directional molten metal flow, and the molten metal solidification. The resultant LENS induced microstructure found to be dictated by the process-related characteristics, i.e., interpass boundaries from multi-layer deposition, molten metal flow lines, and solidification dendrite cells. Each characteristic bears the signature of the unique localized thermal history during deposition. Correlation observed between localized thermal transport, resultant microstructure, and its subsequent impact on the mechanical behavior of the current 316L is discussed. We also discuss how the structures of interpass boundaries are susceptible to localized recrystallization, grain growth and/or defect formation, and therefore, heterogeneous mechanical properties due to the adverse presence of unmelted powder inclusions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

MPMC and MCMD: Free High-Performance Simulation Software for Atomistic Systems

Advancements in parallel computing and hardware have allowed computational exploration of chemical systems of interest with unprecendented accuracy and efficiency. The typical development of molecular simulation software is initially inspired by a particular scientific inquiry. The softwares presented herein, MPMC (Massively Parallel Monte Carlo) and MCMD (Monte Carlo/Molecular Dynamics) were born out of a pursuit to simulate condensed phase physical and chemical interactions in porous materials. MPMC first began in 2005 and has been used for dozens of published results in the literature but has not yet been introduced in a standalone paper. MCMD is a more recent expansion and re-write with some published work, focused on adding molecular dynamics algorithms for transport and other time-dependent properties of chemical systems. Each software functions as a standalone with some unique and other overlapping features. Here, a driving aim of this work is to consider periodic, long-range polarization effects in classical simulation, and both codes are optimized to perform such calculations. Sample results will be presented which highlight methodically that inclusion of explicit polarization produces simulation results with predictive power which in general are in greater agreement with experiment than non-polarizable analogous simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Measurements of W and Z boson production in pp collisions at $$\sqrt{s}=5.02$$ s = 5.02 TeV with the ATLAS detector

Measurements of fiducial integrated and differential cross sections for inclusive W + , W - and Z boson production are reported. They are based on 25.0±0.5pb -1 of pp collision data at √s=5.02 TeV collected with the ATLAS detector at the CERN Large Hadron Collider. Electron and muon decay channels are analysed, and the combined W + , W - and Z integrated cross sections are found to be σ W+ =2266±9 (stat)±29 (syst)±43 (lumi) pb, σ W- =1401±7 (stat)±18 (syst)±27 (lumi) pb, and σ Z =374.5±3.4 (stat)±3.6 (syst)±7.0 (lumi) pb, in good agreement with next-to-next-to-leading-order QCD cross-section calculations. These measurements serve as references for Pb+Pb interactions at the LHC at √sNN=5.02 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Crystal structure of danofloxacin mesylate (C 19 H 21 FN 3 O 3 )(CH 3 O 3 S)

The crystal structure of danofloxacin mesylate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Danofloxacin mesylate crystallizes in space group P1 (#1) with a = 6.77474(8), b = 12.4973(4), c = 12.82826(28) Å, α = 84.8709(29), β = 87.7501(10), γ = 74.9916(4)°, V = 1044.723(11) Å 3 , and Z = 2. The protonation of the danofloxacin cations was established by the analysis of potential intermolecular interactions and differs from that expected from isolated-cation calculations. The crystal structure consists of alternating layers of cations and anions parallel to the ac-plane. There is parallel stacking of the oxoquinoline rings along the a-axis. The expected N–H∙∙∙O hydrogen bonds between the cations and anions are not present. Each cation makes an N–H∙∙∙O hydrogen bond with the other cation, resulting in zig-zag chains along the a-axis. Both cations have strong intramolecular O–H∙∙∙O hydrogen bonds. There are several C–H∙∙∙O hydrogen bonds between the danofloxacin cations and mesylate anions. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗