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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Atomistic simulations of nanowelding of single-crystal and amorphous gold nanowires

The mechanism and quality of the welding of single-crystal (SC) and amorphous gold nanowires (NWs) with head-to-head contact are studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The results are discussed in terms of atomic trajectories, slip vectors, stress, and radial distribution function. Simulation results show that the alignment for the amorphous NWs during welding is easier than that for the SC NWs due to the former's relatively stable geometry. A few dislocations nucleate and propagate on the (111) close-packed plane (slip plane) inside the SC NWs during the welding and stretching processes. During welding, an incomplete jointing area first forms through the interactions of the van der Waals attractive force, and the jointing area increases with increasing extent of contact between the two NWs. A crystallization transition region forms in the jointing area for the welding of SC-amorphous or amorphous-SC NWs. With increasing interference, an amorphous gold NW shortens more than does a SC gold NW due to the former's relatively poor strength. The pressure required for welding decreases with increasing temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Measurement accuracy and spatial resolution of a distributed temperature sensor based on a two-pulse differential coherent reflectometer

We present a model and numerical simulation of a distributed temperature sensor based on a two-pulse differential coherent optical time-domain reflectometer (COTDR). The differential phase measured using a phase-sensitive Rayleigh reflectometer is shown to have a regular component, which is a linear function of temperature, and a random component, which is related to a random distribution of scattering centres in the fibre and restricts the accuracy of measurements of variations in temperature. Measurement accuracy can be improved by reducing the relative contribution of the random component via a decrease in pulse duration and/or an increase in the time delay between pulses. The spatial resolution of a differential two-pulse phase-sensitive reflectometer is shown to be determined by the time delay between pulses and to vary little with pulse duration. At a typical pulse duration (200 ns) and delay time (300 ns), the accuracy in measurements of variations in temperature in the 0.1-K range is 2 % and the spatial resolution is about 30 m. (fibre-optic sensors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations

Mass residence time distribution (RTD) is considered to be an important factor controlling the product selectivity in the pyrolysis of biomass and plastic wastes along with the pyrolysis chemistry. However, due to the complex pyrolysis chemistry of biomass and plastic waste, the coupling between the reaction chemistry, RTD, and product selectivity is challenging to understand. Here, we introduce a reaction molecular dynamics-based method to examine pyrolysis chemistry and species timescales to assess the impact of RTD on product selectivity and yield. To validate this method, reactive molecular dynamics simulations were conducted for polypropylene pyrolysis and its non-equilibrium product selectivity using 6 different RTDs. We find that the RTD and the reaction chemistry control the peak non-equilibrium product concentrations. The peak monomer (C 3 H 6 ) concentration during pyrolysis can be increased by up to 25 % by using a narrow RTD in the case of polypropylene pyrolysis. We also find that product selectivity is strongly affected by the average residence time and RTD. This coupling between the reaction chemistry, RTD, and product selectivity highlights the need to understand detailed reaction chemistry to control RTD and optimize non-equilibrium product selectivity during polymer and biomass pyrolysis. The present method provides a new way to design RTD for reactors to reach maximized product selectivity of plastic waste and biomass.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

Structure, magnetic and cytotoxic behaviour of solvothermally grown Fe3O4@Au core-shell nanoparticles

Highlights: • Synthesis of Fe{sub 3}O{sub 4}@Au nanoparticles was made by solvothermal method. • The magnetic nanoparticles was analyzed by XRD, FT-IR, magnetization curves and aberration corrected (Cs) STEM techniques. • Core-shell Fe{sub 3}O{sub 4}@Au nanoparticles showed low apoptotic response and therefore lower toxicity. • Fe{sub 3}O{sub 4}@Au nanoparticles with high saturation magnetization showed good biocompatibility. - Abstract: Magnetic nanoparticles (MNPs) have demonstrated their potential in a wide variety of biomedical applications including in tumour hyperthermia. However, highly reactive nature and aggregation affinity of these nanostructures are the principal limitations for such applications. To overcome these limitations, those MNPs should be covered with an inert shell in order to protect the magnetic core against chemical alterations. Considering the noble, chemically inert nature of gold, which also has good biocompatibility, we fabricated chemically stable gold-coated Fe{sub 3}O{sub 4} (Fe{sub 3}O{sub 4}@Au) nanoparticles of 20–50 nm size range with considerable saturation magnetization, though a simple one-pot solvothermal method. The morphology, elemental distribution and the structure of the core-shell nanoparticles were characterized using aberration-corrected (Cs) Scanning transmission electron microscopy (STEM), and compared with their simulated images. Cytotoxicity assay in MDCK cell line was performed to evaluate the biocompatibility of the nanoparticles. The results showed higher cell viability for the Fe{sub 3}O{sub 4}@Au nanoparticles, suggesting their good biocompatibility and potentials for biomedical applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

On the Role of Macrophysics and Microphysics in Km-Scale Simulations of Mixed-Phase Clouds During Cold Air Outbreaks

Regional atmospheric models struggle to maintain supercooled liquid in mixed-phase clouds during polar cold-air outbreaks (CAOs). Previous studies focused on the parameterization of aerosol, microphysics and turbulence to understand the origin of this widespread model bias. This study investigates the role of sub-grid cloud fraction parameterizations (CFP) in the simulation of mixed-phase cloud. Km-scale simulations are performed for a large number of CAO cases over Norway, for which continuous ground observations were collected at one site over 6 months. We use a novel analysis that attributes the cloud-radiative errors to deficiencies in specific cloud regimes. We show that the CFP matters for cloud-radiative effects in CAOs, but that it is probably not the primary cause of the lack of liquid water in simulated mixed-phase clouds. Of all the CFP sensitivities explored in this study, the prognostic representation of both liquid and ice shows most promise in increasing the liquid water path. A newly proposed hybrid CFP with prognostic frozen and diagnostic liquid cloud fraction reproduces some of the benefits of the prognostic scheme at reduced cost and complexity. All simulations appear to produce too large precipitation particles. As a result, reducing the snow deposition rate increases the liquid water path and improves the precipitation size distributions, while simulations are less sensitive to reduced riming rates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Milky way bulge extra-tidal star survey: MWBest

The Milky Way Bulge Extra-Tidal Star Survey (MWBest) is a spectroscopic initiative aimed at identifying stars that have been tidally stripped from globular clusters in the inner regions of the Galaxy. As part of the Visiting Faculty Program at Fermilab, we have developed theoretical tools and simulations to compare against observed signatures of extra-tidal stars surrounding both bulge globular clusters (GCs) and low-luminosity clusters. By combining the spatial distributions of simulated stripped stars with new MWBest observations, we are gaining insight into the gravitational potential of the inner Galaxy and the role that bulge GCs may play in enriching the surrounding field star population. We further explore the hypothesis that some low-luminosity bulge GCs may in fact be dense clumps of debris, stripped from more massive GCs as they migrate inward due to dynamical friction.

Kunder, Andrea [Unlisted, US, WA]↗
DOE OSTI2017

Wide-range fission chambers signal simulator - 373

Fission chambers (FC) signal simulators are a useful means to test neutron flux instrumentation channels of the reactors control and protection systems (CPS). Well-known signal simulators do not provide a secondary equipment testing in all modes of measurement. A wide range simulator that simulates a full range of FC signal changes (pulse, fluctuation, current) was designed. The simulator takes into account the statistical nature of neutrons detection in the FC, including the shape of the pulse and the spectrum of the pulse amplitude distribution. The simulator uses the principle of mathematical simulation of the fission chambers signal with realtime calculations using the FPGA. The wide-range simulator reproduces a FC signal in the range of ten orders without switching ranges or playback modes while ensuring very good linearity. It allows to generate both static and dynamic test signals such as: stair-step, linearly and exponential varying signals, exponential varying signals with a linearly changing period or a signal change simulating the response of the nuclear reactor power to a given reactivity response. Continuity of reproduced signals and the ability to playback dynamic effects makes it possible the simulator using to check the algorithms of cross-linking of measuring paths, reactivity and period measuring tools and to monitor the operation of interlocking and alarm CPS functions. This article discusses the simulator's software and hardware, its features and specifications, user interface and example of the simulator using to check the neutron flux monitoring channels. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

BEPAM-E Model Code and CABBI Simulation Results for "Repeal of the Clean Power Plan: Social Cost and Distributional Implications"

The dataset consists of results and various input data that are used in the GAMS model for the publication "Repeal of the Clean Power Plan: Social Cost and Distributional Implications". All the data are either excel files or in the .inc format which can be read within GAMS or Notepad. Main data sources include: agriculture, transportation and electricity data. Model details can be found in the paper and the GAMS model package.

carbon abatement↗
DOE OSTI2019

Estimation of Errors in Stress Distributions Computed in Finite Element Simulations of Polycrystals

The accuracy of the stresses predicted from crystal plasticity-based finite element formulation depends on estimation and control of the errors associated with the discretization. In the current work, the errors in the stress distribution are estimated in virtual polycrystalline samples of α-phase titanium (hexagonal close-packed phase of Ti–6Al– 4 V). To estimate the error, the stress field, which does not possess inter-element continuity, is smoothed over a grain using an L 2 projection, thereby providing continuous stress distributions with inter-element continuity. The differences between the continuous (smooth) and discontinuous (raw) stress fields are calculated at individual Gauss quadrature points and used to estimate errors for corresponding elements and grains. Error estimations are performed for a Voronoi-tessellated microstructure, an equiaxed microstructure, and two microstructures with varying grain sizes for tensile loading extending into the fully plastic regime (≈ 5% extension). Magnitudes of the errors are found to depend on microstructural characteristics, particularly the shape and size of grains. Samples having variations in grain size or having less spherical grains exhibited higher errors than samples with uniformly sized, equiaxed grains, with the size variations having a more pronounced effect. In conclusion, errors correlate with proximity to grain boundaries at small (elastic) strains and with deformation-induced features (deformation bands) at large strains.

42 ENGINEERING↗
DOE OSTI2025

Scaling relations in the phase-space structure of dark matter haloes

We present new scaling relations for the isotropic phase-space distribution functions (DFs) and energy distributions of simulated dark matter haloes. These relations are inspired by those for the singular isothermal sphere with density profile $\rho (r)\propto r^{-2}$, for which the DF satisfies $f(E) \propto r_{\mathrm{max}}^{-2}(E)$ and the energy distribution satisfies $\mathrm{ d}M/\mathrm{ d}E \propto r_{\mathrm{max}}(E)$, with $r_{\mathrm{max}}(E)$ being the radius where the gravitational potential equals energy $E$. For the simulated haloes, we find $f(E)\propto r_{\mathrm{max}}^{-2.08}(E)$ and $\mathrm{ d}M/\mathrm{ d}E \propto r_{\mathrm{max}}(E)$ across broad energy ranges. In addition, the proportionality coefficients depend on the gravitational constant and the parameters of the best-fitting Navarro–Frenk–White density profile. These scaling relations are satisfied by haloes over a wide mass range and provide an efficient method to approximate their DFs and energy distributions. Understanding the origin of these relations may shed more light on halo formation.

galaxies: haloes↗
DOE OSTI2011

Observation and model of an ellipsoidally symmetric velocity space distribution in a weakly-coupled dusty plasma

The spatially resolved phase space distribution was measured for a dusty plasma system. Analysis of the velocity space component of the distributions revealed that the standard assumption of a spherically symmetric velocity space is not applicable to the observed system. The more general, ellipsoidally symmetric, multi-normal distribution function was applied to model the velocity space and is compared to the canonical spherically symmetric model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Phosphorus in agricultural soils: drivers of its distribution at the global scale

Phosphorus (P) availability in soils limits crop yields in many regions of the world, while excess of soil P triggers aquatic eutrophication in other regions. Numerous processes drive the global spatial distribution of P in agricultural soils, but their relative roles remain unclear. Here, we combined several global datasets describing these drivers with a soil P dynamics model to simulate the distribution of P in agricultural soils and to assess the contributions of the different drivers at the global scale. We analyzed both the labile inorganic P (P ILAB ), a proxy of the pool involved in plant nutrition and the total soil P (P TOT ). We found that the soil biogeochemical background (BIOG) and farming practices (FARM) were the main drivers of the spatial variability in cropland soil P content but that their contribution varied between P TOT vs P ILAB . Indeed, 97% of the P TOT spatial variability could be explained by BIOG, while BIOG and FARM explained 41% and 58% of P ILAB spatial variability, respectively. Other drivers such as climate, soil erosion, atmospheric P deposition and soil buffering capacity made only very small contribution. Lastly, our study is a promising approach to investigate the potential effect of P as a limiting factor for agricultural ecosystems and for global food production. Additionally, we quantified the anthropogenic perturbation of P cycle and demonstrated how the different drivers are combined to explain the global distribution of agricultural soil P.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Simulation of the transport, vertical distribution, optical properties and radiative impact of smoke aerosols with the ALADIN regional climate model during the ORACLES-2016 and LASIC experiments

Estimates of the direct radiative effect (DRE) from absorbing smoke aerosols over the southeast Atlantic Ocean (SAO) require simulation of the microphysical and optical properties of stratocumulus clouds as well as of the altitude and shortwave (SW) optical properties of biomass burning aerosols (BBAs). In this study, we take advantage of the large number of observations acquired during the ObseRvations of Aerosols above Clouds and their intEractionS (ORACLES-2016) and Layered Atlantic Smoke Interactions with Clouds (LASIC) projects during September 2016 and compare them with datasets from the ALADIN-Climate (Aire Limitée Adaptation dynamique Développement InterNational) regional model. The model provides a good representation of the liquid water path but the low cloud fraction is underestimated compared to satellite data. The modeled total-column smoke aerosol optical depth (AOD) and above-cloud AOD are consistent ( ~0.7 over continental sources and ~0.3 over the SAO at 550 nm) with the Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2), Ozone Monitoring Instrument (OMI) or Moderate Resolution Imaging Spectroradiometer (MODIS) data. The simulations indicate smoke transport over the SAO occurs mainly between 2 and 4 km, consistent with surface and aircraft lidar observations. The BBA single scattering albedo is slightly overestimated compared to the Aerosol Robotic Network (AERONET) and more significantly when compared to Ascension Island surface observations. The difference could be due to the absence of internal mixing treatment in the ALADIN-Climate model. The SSA overestimate leads to an underestimation of the simulated SW radiative heating compared to ORACLES data. ALADIN-Climate simulates a positive (monthly mean) SW DRE of about +6 W m -2 over the SAO (20 ° S–10 ° N and 10 ° W–20 ° E) at the top of the atmosphere and in all-sky conditions. Over the continent, the presence of BBA is shown to significantly decrease the net surface SW flux, through direct and semi-direct effects, which is compensated by a decrease (monthly mean) in sensible heat fluxes ( -25 W m -2 ) and surface land temperature ( -1.5 ° C) over Angola, Zambia and the Democratic Republic of the Congo, notably. The surface cooling and the lower tropospheric heating decrease the continental planetary boundary layer height by about ~200 m.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Islanding Detection of Distributed Generation Using Electrical Variables in Space Vector Domain

This paper presents a new approach for islanding detection in distribution systems incorporating synchronous generator-based distributed generations. The proposed method first utilizes the dynamic equations of three electrical variables under islanding situations. The variables are: change of frequency; rate of change of frequency; and rotor angle deviation. Second, transformation of these variables is conducted in the space vector domain, which gives rise to three parameters, namely, semi-major axis, semi-minor axis, and inclination angle. Finally, exploiting these parameters, a decision boundary is established to classify grid events resulting in the formation of an island or not. The proposed method is comprehensively investigated under different operating conditions, which include excess/deficit of reactive/active power imbalance scenarios in the formed island containing different load-types (constant impedance, constant power, and constant current) with varying quality factor. A large variety of islanding and non-islanding events are generated using a practical distribution network simulated in real time on OPAL-RT digital simulation platform under the aforementioned operating conditions. A detailed evaluation of the proposed approach is conducted and it demonstrates the effectiveness of the method.

F-measure↗
DOE OSTI2012

THE BUILDUP OF A SCALE-FREE PHOTOSPHERIC MAGNETIC NETWORK

We use a global Monte Carlo simulation of the formation of the solar photospheric magnetic network to investigate the origin of the scale invariance characterizing magnetic flux concentrations visible on high-resolution magnetograms. The simulations include spatially and temporally homogeneous injection of small-scale magnetic elements over the whole photosphere, as well as localized episodic injection associated with the emergence and decay of active regions. Network elements form in response to cumulative pairwise aggregation or cancellation of magnetic elements, undergoing a random walk on the sphere and advected on large spatial scales by differential rotation and a poleward meridional flow. The resulting size distribution of simulated network elements is in very good agreement with observational inferences. We find that the fractal index and size distribution of network elements are determined primarily by these post-emergence surface mechanisms, and carry little or no memory of the scales at which magnetic flux is injected in the simulation. Implications for models of dynamo action in the Sun are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Penetration of magnetosonic waves into the plasmasphere observed by the Van Allen Probes

During the small storm on 14–15 April 2014, Van Allen Probe A measured a continuously distinct proton ring distribution and enhanced magnetosonic (MS) waves along its orbit outside the plasmapause. Inside the plasmasphere, strong MS waves were still present but the distinct proton ring distribution was falling steeply with distance. We adopt a sum of subtracted bi-Maxwellian components to model the observed proton ring distribution and simulate the wave trajectory and growth. MS waves at first propagate toward lower L shells outside the plasmasphere, with rapidly increasing path gains related to the continuous proton ring distribution. The waves then gradually cross the plasmapause into the deep plasmasphere, with almost unchanged path gains due to the falling proton ring distribution and higher ambient density. These results present the first report on how MS waves penetrate into the plasmasphere with the aid of the continuous proton ring distributions during weak geomagnetic activities.

58 GEOSCIENCES↗
DOE OSTI2024

Sensitivity of Fine‐Resolution Urban Heat Island Simulations to Soil Moisture Parameterization

ABSTRACT Urban areas experience the impact of natural disasters, such as heatwaves and flash floods, disparately in different neighbourhoods across a city. The demand for precise urban hydrometeorological and hydroclimatological modelling to examine this disparity, and the interacting challenges posed by climate change and urbanisation, has thus surged. The Weather Research and Forecasting (WRF) model has served such operational and research purposes for decades. Recent advancements in WRF, including enhanced numerical schemes and sophisticated urban atmospheric‐hydrological parameterizations, have empowered the simulation of urban geophysical processes at high resolution (~1 km), but even this resolution misses significant urban microclimate variability. This study applies the large‐eddy simulations (LES) mode within WRF, coupled with single‐layer urban canopy models (SLUCM), to enable even finer‐scale modelling (150 m) of the Urban Heat Island (UHI) effect in the Baltimore metropolitan area. We run nine scenarios to evaluate various methods of initializing soil moisture and various spinup lead times, and to assess the impact of WRF's Mosaic approach in depicting subgrid‐scale processes. We evaluate the scenarios by comparing the WRF simulated land surface temperature (LST) against Landsat LST and the WRF simulated hourly 2‐m air temperatures (AT) with observations from eight weather stations across the domain. Results underscore the paramount influence of the lead spinup time on the spatiotemporal distribution of simulated soil moisture, consequently shaping WRF's efficacy in predicting the UHI. Furthermore, interpolating soil moisture‐related parameters from the parent for child domain initialization yields a notable reduction in mean and root‐mean‐squared errors. This improvement was particularly evident in simulations with the longest spinup time, affirming the importance of carefully designing the initialization of soil moisture for improved urban temperature predictions.

Talebpour, Mahdad↗
DOE OSTI2021

Reinforcement Learning for Distribution Grid Optimization (PyCIGAR) v0.1

PyCIGAR is a python software package that merges off-the-shelf reinforcement learning libraries (RLLib and Ray) with electric power distribution system simulation tools (OpenDSS and a custom power flow solver built by LBL). PyCIGAR enables the training of neural networks to optimize the behavior of different components in the electric distribution grid, such as control systems in photovoltaic rooftop solar inverters and electric battery storage systems. The software package has been used to train neural networks to update settings in photovoltaic rooftop solar inverter control systems to mitigate cyber attacks on other solar photovoltaic rooftop devices.

Arnold, Daniel↗