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At least 1,279 records · Page 71

Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

These are the slides on NREL's Core Modeling and Decision Support Capabilities project for presentation at the 2023 Annual Merit Review for the U.S. Department of Energy, Vehicle Technologies Office. The project is funded by the Energy-Efficient Mobility Systems program to support four core tools: the Future Automotive Systems Technology Simulator (FASTSim), the Route Energy Prediction Model (RouteE), the Transportation Technology Total Cost of Ownership (T3CO) tool, and the Open Platform for Agile Trip Heuristics (OpenPATH).

ADVANCED PROPULSION SYSTEMS↗

Exploring a Multiresolution Modeling Approach within the Shallow-Water Equations

The ability to solve the global shallow-water equations with a conforming, variable-resolution mesh is evaluated using standard shallow-water test cases. While the long-term motivation for this study is the creation of a global climate modeling framework capable of resolving different spatial and temporal scales in different regions, the process begins with an analysis of the shallow-water system in order to better understand the strengths and weaknesses of the approach developed herein. The multiresolution meshes are spherical centroidal Voronoi tessellations where a single, user-supplied density function determines the region(s) of fine- and coarsemesh resolution. The shallow-water system is explored with a suite of meshes ranging from quasi-uniform resolution meshes, where the grid spacing is globally uniform, to highly variable resolution meshes, where the grid spacing varies by a factor of 16 between the fine and coarse regions. The potential vorticity is found to be conserved to within machine precision and the total available energy is conserved to within a time-truncation error. This result holds for the full suite of meshes, ranging from quasi-uniform resolution and highly variable resolution meshes. Based on shallow-water test cases 2 and 5, the primary conclusion of this study is that solution error is controlled primarily by the grid resolution in the coarsest part of the model domain. This conclusion is consistent with results obtained by others.When these variable-resolution meshes are used for the simulation of an unstable zonal jet, the core features of the growing instability are found to be largely unchanged as the variation in the mesh resolution increases. The main differences between the simulations occur outside the region of mesh refinement and these differences are attributed to the additional truncation error that accompanies increases in grid spacing. Overall, the results demonstrate support for this approach as a path toward multiresolution climate system modeling.

58 GEOSCIENCES↗

Visualization and Quantification of Rotor Tip Vortices in Helicopter Flows

This paper presents an automated approach for effective extraction, visualization, and quantification of vortex core radii from the Navier-Stokes simulations of a UH-60A rotor in forward flight. We adopt a scaled Q-criterion to determine vortex regions and then perform vortex core profiling in these regions to calculate vortex core radii. This method provides an efficient way of visualizing and quantifying the blade tip vortices. Moreover, the vortices radii are displayed graphically in a plane.

Quantification↗

The FREYA project at VENUS-F - the next step towards MYRRHA

The VENUS-F reactor is a fast, zero-power research reactor. Since 2009 it has used 30% wt. metallic uranium as fuel and solid lead as reflector and coolant simulator. It can also be coupled to a particle accelerator with a neutron producing target and make up a subcritical Accelerator Driven System (ADS). Within the currently ongoing FREYA project, the main tasks being investigated are the validation of online reactivity monitoring of an ADS, the validation of nuclear data and neutronic codes, and the experimental characterization of fast critical and subcritical cores representative for MYRRHA. MYRRHA will be an ADS demonstrator with the option to be operated in critical mode too. So far the only critical core at VENUS-F was assembled using 97 fuel assemblies, each of them consisting of 9 U and 16 Pb rodlets. The core was thoroughly characterized: flux traverses, spectral indices, control rod worth, delayed neutron parameters were measured and compared with Monte Carlo and deterministic calculations. A sensitivity study was also performed focusing on the influence of material impurities, positioning uncertainties, structures and detectors around the core. It was a simple core without any perturbations in the active zone. In the next critical cores that are planned to be investigated in 2015 and 2016, additional elements will be introduced in order to become more representative for MYRRHA. As MYRRHA will use MOX fuel, oxygen will be added into the following core. This will be done by introducing Al{sub 2}O{sub 3} into the fuel assemblies. New fuel assemblies have been already made and are ready to be loaded. Each consists of 13 U, 8 Pb, and 4 Al{sub 2}O{sub 3} rodlets. The new critical core will consist of approximately 40 such fuel assemblies and will be loaded in January 2015. The first results of the characterization measurements will be presented. Additionally, it is planned to investigate coolant void effects. As MYRRHA will be a rather complex system using a number of in-pile sections and heterogeneous elements inside and around the active zone, the next cores will be step by step modified by loading new materials and perturbations with the aim to assemble a MYRRHA mock-up. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Observation of Defect-Assisted Magnetic Vortex Core Reversal at Ultralow Critical Velocity

The stability of structures with nontrivial topology is a subject of great interest, both from fundamental and technological perspectives. The topology of a magnetic vortex, for example, results in high stability of the vortex core polarity, which is attractive for applications. This high stability, however, greatly impedes the required deterministic polarity switching, which is typically only achieved with large magnetic fields or strong dynamic driving. Here, we show that the interaction between the vortex core and manufactured nanoscale defects in the magnetic material lowers the required driving strength for core polarity reversal by more than an order of magnitude. We excite vortex dynamics in thin permalloy disks, and map the twodimensional (2D) vortex core trajectory using 3D time-resolved Kerr microscopy. In pristine samples, we observe normal gyrotropic motion of the vortex core. After laser-induced generation of defects, however, we observe repeated vortex core reversal at much-reduced driving strength. Micromagnetic simulations reveal how local reduction of exchange coupling and saturation magnetization can create vortex core reversal sites for deterministic vortex core switching.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Crack Growth Prediction Methodology for Multi-Site Damage: Layered Analysis and Growth During Plasticity

A finite element program has been developed to perform quasi-static, elastic-plastic crack growth simulations. The model provides a general framework for mixed-mode I/II elastic-plastic fracture analysis using small strain assumptions and plane stress, plane strain, and axisymmetric finite elements. Cracks are modeled explicitly in the mesh. As the cracks propagate, automatic remeshing algorithms delete the mesh local to the crack tip, extend the crack, and build a new mesh around the new tip. State variable mapping algorithms transfer stresses and displacements from the old mesh to the new mesh. The von Mises material model is implemented in the context of a non-linear Newton solution scheme. The fracture criterion is the critical crack tip opening displacement, and crack direction is predicted by the maximum tensile stress criterion at the crack tip. The implementation can accommodate multiple curving and interacting cracks. An additional fracture algorithm based on nodal release can be used to simulate fracture along a horizontal plane of symmetry. A core of plane strain elements can be used with the nodal release algorithm to simulate the triaxial state of stress near the crack tip. Verification and validation studies compare analysis results with experimental data and published three-dimensional analysis results. Fracture predictions using nodal release for compact tension, middle-crack tension, and multi-site damage test specimens produced accurate results for residual strength and link-up loads. Curving crack predictions using remeshing/mapping were compared with experimental data for an Arcan mixed-mode specimen. Loading angles from 0 degrees to 90 degrees were analyzed. The maximum tensile stress criterion was able to predict the crack direction and path for all loading angles in which the material failed in tension. Residual strength was also accurately predicted for these cases.

James, Mark Anthony↗

Computational study of the effect of core–skin structure on the mechanical properties of carbon nanofibers

The effect of the core–skin structure on the mechanical properties of carbon nanofibers is investigated in large-scale molecular dynamics simulations of tensile deformation of carbon nanofibers with the core–skin and homogeneous structures. Contrary to an established notion of the deleterious effect of the skin layer on the strength of carbon fibers, the presence of a high-quality skin layer is found to increase both the Young’s modulus and tensile strength of the nanofiber. A detailed analysis of the fracture process indicates that the nanofiber strengthening is related to the ability of skin layer to suppress crack nucleation at the core–skin interface. Furthermore, the computational predictions suggest that the design of new approaches to carbon fiber manufacturing and processing leading to the generation of a high-quality skin layer while avoiding the introduction of structural defects at the core–skin interface may yield a significant enhancement of the mechanical properties of carbon fibers.

36 MATERIALS SCIENCE↗

Three-dimensional simulations of turbulent convective mixing in ONe and CO classical nova explosions

Classical novae are thermonuclear explosions that take place in the envelopes of accreting white dwarfs in binary systems. The material piles up under degenerate conditions, driving a thermonuclear runaway. The energy released by the suite of nuclear processes operating at the envelope heats the material up to peak temperatures of ~(1-4) × 10 8 K. During these events, about 10 -3 -10 -7 M ⊙ , enriched in CNO and, sometimes, other intermediate-mass elements (e.g., Ne, Na, Mg, Al) are ejected into the interstellar medium. To account for the gross observational properties of classical novae (in particular, the high concentrations of metals spectroscopically inferred in the ejecta), models require mixing between the (solar-like) material transferred from the secondary and the outermost layers (CO- or ONe-rich) of the underlying white dwarf. Recent multidimensional simulations have demonstrated that Kelvin-Helmholtz instabilities can naturally produce self-enrichment of the accreted envelope with material from the underlying white dwarf at levels that agree with observations. However, the feasibility of this mechanism has been explored in the framework of CO white dwarfs, while mixing with different substrates still needs to be properly addressed. We performed three-dimensional simulations of mixing at the core-envelope interface during nova outbursts with the multidimensional code FLASH, for two types of substrates: CO- and ONe-rich. We also show that the presence of an ONe-rich substrate, as in “neon novae”, yields higher metallicity enhancements in the ejecta than CO-rich substrates (i.e., non-neon novae). Finally, a number of requirements and constraints for such 3D simulations (e.g., minimum resolution, size of the computational domain) are also outlined.

79 ASTRONOMY AND ASTROPHYSICS↗

MIRACL Co‐Simulation platform for control and operation of distributed wind in microgrid

Abstract This paper presents a co‐simulation platform (CSP) developed as a part of the “Microgrids, Infrastructure Resilience and Advanced Controls Launchpad (MIRACL)” project, hereafter called MIRACL‐CSP, to allow simulation‐based testing, demonstration, and evaluations of distributed wind under various grid operating conditions. MIRACL‐CSP provides modular interactions among the power distribution system, distributed wind, and utility decision‐making framework. A hierarchical engine for large‐scale infrastructure co‐simulations (HELICS) is used as the core engine of MIRACL‐CSP to establish time and information coordination among the MIRACL‐CSP modules. In this study, MIRACL‐CSP performance is demonstrated using the IEEE 123‐node test distribution grid modelled in GridLAB‐D and the utility decision support application modelled in Python. The functionality of MIRACL‐CSP is demonstrated through various grid operational scenarios in a microgrid and networked microgrid environment. A co‐simulation study is described that demonstrated MIRACL‐CSP capabilities for the microgrid operational scenario in the IEEE 123‐node test system. MIRACL‐CSP is a generic platform that facilitates distributed wind research for different test systems, applications, and valuation of distributed wind.

17 WIND ENERGY↗

Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure of oxides prepared by decomposition of layered double Mg–Al and Ni–Al hydroxides

Abstracts: Thermal decomposition of Mg–Al and Ni–Al layered double hydroxides LDH at temperatures lower than 800 °C leads to the formation of oxides with different structures. Mg–Al oxide has a very defective structure and consists of octahedral layers as in periclase MgO and mixed octahedral–tetrahedral layers as in spinel MgAl{sub 2}O{sub 4}. Mixed Ni–Al oxide has a sandwich-like structure, consisting of a core with Al-doped NiO-like structure and some surface layers with spinel NiAl{sub 2}O{sub 4} structure epitaxial connected with the core. Suggested models were verified by simulation of X-ray diffraction patterns using DIFFaX code, as well as HRTEM, IR-, UV-spectroscopies, and XPS. - Graphical abstract: In the Mg–Al layered double hydroxide Al{sup 3+} ions migrate into interlayers during decomposition. The Mg–Al oxide represents sequence of octahedral and octahedral–tetrahedral spinel layers with vacancies. The Ni–Al oxide has a sandwich-like structure with NiO-like core and surface spinel layers as a result of migration of Al{sup 3+} ions on the surface. The models explain the presence and absence of “memory effect” for the Mg–Al and Ni–Al oxides, respectively. - Highlights: • We study products of Mg(Ni)–Al LDH decomposition by calcination at 500(400)–800 °C. • In Mg–Al/Ni–Al LDH Al ions migrate into interlayers/on the surface during decomposition. • Mg–Al oxide represents sequence of periclase- and spinel-like layers with vacancies. • Ni–Al oxide has a sandwich-like structure with NiO-like core and surface spinel layers. • The models explain the presence/absence of “memory effect” for Mg–Al/Ni–Al oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A THREE-PHASE CHEMICAL MODEL OF HOT CORES: THE FORMATION OF GLYCINE

A new chemical model is presented that simulates fully coupled gas-phase, grain-surface, and bulk-ice chemistry in hot cores. Glycine (NH{sub 2}CH{sub 2}COOH), the simplest amino acid, and related molecules such as glycinal, propionic acid, and propanal, are included in the chemical network. Glycine is found to form in moderate abundance within and upon dust-grain ices via three radical-addition mechanisms, with no single mechanism strongly dominant. Glycine production in the ice occurs over temperatures {approx}40-120 K. Peak gas-phase glycine fractional abundances lie in the range 8 Multiplication-Sign 10{sup -11}-8 Multiplication-Sign 10{sup -9}, occurring at {approx}200 K, the evaporation temperature of glycine. A gas-phase mechanism for glycine production is tested and found insignificant, even under optimal conditions. A new spectroscopic radiative-transfer model is used, allowing the translation and comparison of the chemical-model results with observations of specific sources. Comparison with the nearby hot-core source NGC 6334 IRS1 shows excellent agreement with integrated line intensities of observed species, including methyl formate. The results for glycine are consistent with the current lack of a detection of this molecule toward other sources; the high evaporation temperature of glycine renders the emission region extremely compact. Glycine detection with ALMA is predicted to be highly plausible, for bright, nearby sources with narrow emission lines. Photodissociation of water and subsequent hydrogen abstraction from organic molecules by OH, and NH{sub 2}, are crucial to the buildup of complex organic species in the ice. The inclusion of alternative branches within the network of radical-addition reactions appears important to the abundances of hot-core molecules; less favorable branching ratios may remedy the anomalously high abundance of glycolaldehyde predicted by this and previous models.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of strong magnetization in cylindrical plasma implosions with applied B-field measured via x-ray emission spectroscopy

Magnetization is a key strategy for enhancing inertial fusion performance, though accurate characterization of magnetized dense plasmas is needed for a better comprehension of the underlying physics. Measured spectra from imploding Ar-doped D 2 -filled cylinders at the OMEGA laser show distinctive features with and without an imposed magnetic field. A multizone spectroscopic diagnosis leads to quantitative estimates of the plasma conditions, namely revealing a 50% core temperature rise at half mass density when a 30-T seed field is applied. Concurrently, experimental spectra align well with predictions from extended-magnetohydrodynamics simulations, providing strong evidence that the attained core conditions at peak compression are consistent with the impact of a 10-kT compressed field. These results pave the way for the validation of magnetized transport models in dense plasmas and for future magnetized laser implosion experiments at a larger scale. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Hydraulic Characteristics of Fuel Defects in Plate Type Nuclear Research Reactors

Turbulent flow coupled with heat transfer is investigated for a High Flux Isotope Reactor (HFIR) fuel plate. The Reynolds Averaged Navier-Stokes Models are used for fluid dynamics and the transfer of heat from a thermal nuclear fuel plate using the Multi-physics code COMSOL. Simulation outcomes are compared with experimental data from the Advanced Neutron Source Reactor Thermal Hydraulic Test Loop. The computational results for the High Flux Isotope Reactor core system provide a more physically accurate simulation of this system by modeling the turbulent flow field in conjunction with the diffusion of thermal energy within the solid and fluid phases of the model domain. Recommendations are made regarding Nusselt number correlations and material properties for future thermal hydraulic modeling efforts

COMSOL LEU HFIR↗

OBSERVATIONAL EVIDENCE FOR DARK MATTER INTERACTING THROUGH A YUKAWA POTENTIAL

Recent observations in galaxies and clusters indicate that dark matter density profiles exhibit core-like structures which contradict the numerical simulation results of collisionless cold dark matter (CDM). On the other hand, it has been shown that CDM particles interacting through a Yukawa potential could naturally explain the cores in dwarf galaxies. In this Letter, I use the Yukawa potential interacting dark matter model to derive two simple scaling relations on the galactic and cluster scales, respectively, which give excellent agreements with observations. Also, in our model, the masses of the force carrier and dark matter particle can be constrained by the observational data.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of preindustrial to present-day black carbon and its albedo forcing from Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

As part of the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP), we evaluate the historical black carbon (BC) aerosols simulated by 8 ACCMIP models against observations including 12 ice core records, long-term surface mass concentrations, and recent Arctic BC snowpack measurements. We also estimate BC albedo forcing by performing additional simulations using offline models with prescribed meteorology from 1996-2000. We evaluate the vertical profile of BC snow concentrations from these offline simulations using the recent BC snowpack measurements. Despite using the same BC emissions, the global BC burden differs by approximately a factor of 3 among models due to differences in aerosol removal parameterizations and simulated meteorology: 34 Gg to 103 Gg in 1850 and 82 Gg to 315 Gg in 2000. However, the global BC burden from preindustrial to present-day increases by 2.5-3 times with little variation among models, roughly matching the 2.5-fold increase in total BC emissions during the same period.We find a large divergence among models at both Northern Hemisphere (NH) and Southern Hemisphere (SH) high latitude regions for BC burden and at SH high latitude regions for deposition fluxes. The ACCMIP simulations match the observed BC surface mass concentrations well in Europe and North America except at Ispra. However, the models fail to predict the Arctic BC seasonality due to severe underestimations during winter and spring. The simulated vertically resolved BC snow concentrations are, on average, within a factor of 2-3 of the BC snowpack measurements except for Greenland and the Arctic Ocean. For the ice core evaluation, models tend to adequately capture both the observed temporal trends and the magnitudes at Greenland sites. However, models fail to predict the decreasing trend of BC depositions/ice core concentrations from the 1950s to the 1970s in most Tibetan Plateau ice cores. The distinct temporal trend at the Tibetan Plateau ice cores indicates a strong influence from Western Europe, but the modeled BC increases in that period are consistent with the emission changes in Eastern Europe, the Middle East, South and East Asia. At the Alps site, the simulated BC suggests a strong influence from Europe, which agrees with the Alps ice core observations. At Zuoqiupu on the Tibetan Plateau, models successfully simulate the higher BC concentrations observed during the non-monsoon season compared to the monsoon season but overpredict BC in both seasons. Despite a large divergence in BC deposition at two Antarctic ice core sites, some models with a BC lifetime of less than 7 days are able to capture the observed concentrations. In 2000 relative to 1850, globally and annually averaged BC surface albedo forcing from the offline simulations ranges from 0.014 to 0.019Wm−2 among the ACCMIP models. Comparing offline and online BC albedo forcings computed by some of the same models, we find that the global annual mean can vary by up to a factor of two because of different aerosol models or different BC-snow parameterizations and snow cover. The spatial distributions of the offline BC albedo forcing in 2000 show especially high BC forcing (i.e., over 0.1W/sq. m) over Manchuria, Karakoram, and most of the Former USSR. Models predict the highest global annual mean BC forcing in 1980 rather than 2000, mostly driven by the high fossil fuel and biofuel emissions in the Former USSR in 1980.

snow cover↗

High-resolution surface photometry of elliptical galaxies

High-resolution CCD surface photometry profiles have been obtained for a sample of 42 nearby elliptical and SO galaxies as a first step in a program to investigate their central structure and core properties. A comparison of the present profiles to those of other observers shows that the accuracy of the central surface brightnesses is to better than 0.02 mag rms. Central resolution is limited by the atmospheric seeing PSF which is measured for each profile. A hybrid Fourier deconvolution procedure has been developed to correct the surface photometry for seeing in a model-independent way. Tests of the procedure on simulated galaxy images show that intrinsic core radii equal to the seeing FWHM or larger can be recovered from the observations. Application of the deconvolution procedure to the observed galaxies yields surface photometry profiles of slightly sub-arc second resolution.

Lauer, T. R.↗

Assessing climate change impacts, benefits of mitigation, and uncertainties on major global forest regions under multiple socioeconomic and emissions scenarios

We analyze a set of simulations to assess the impact of climate change on global forests where MC2 dynamic global vegetation model (DGVM) was run with climate simulations from the MIT Integrated Global System Model-Community Atmosphere Model (IGSM-CAM) modeling framework. The core study relies on an ensemble of climate simulations under two emissions scenarios: a business-as-usual reference scenario (REF) analogous to the IPCC RCP8.5 scenario, and a greenhouse gas mitigation scenario, called POL3.7, which is in between the IPCC RCP2.6 and RCP4.5 scenarios, and is consistent with a 2 °C global mean warming from pre-industrial by 2100. Evaluating the outcomes of both climate change scenarios in the MC2 model shows that the carbon stocks of most forests around the world increased, with the greatest gains in tropical forest regions. Temperate forest regions are projected to see strong increases in productivity offset by carbon loss to fire. The greatest cost of mitigation in terms of effects on forest carbon stocks are projected to be borne by regions in the southern hemisphere. We compare three sources of uncertainty in climate change impacts on the world’s forests: emissions scenarios, the global system climate response (i.e. climate sensitivity), and natural variability. The role of natural variability on changes in forest carbon and net primary productivity (NPP) is small, but it is substantial for impacts of wildfire. Forest productivity under the REF scenario benefits substantially from the CO 2 fertilization effect and that higher warming alone does not necessarily increase global forest carbon levels. Finally, our analysis underlines why using an ensemble of climate simulations is necessary to derive robust estimates of the benefits of greenhouse gas mitigation. It also demonstrates that constraining estimates of climate sensitivity and advancing our understanding of CO 2 fertilization effects may considerably reduce the range of projections.

54 ENVIRONMENTAL SCIENCES↗