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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Characterizing the convective velocity fields in massive stars

We apply the mathematical formalism of vector spherical harmonics decomposition to convective stellar velocity fields from multidimensional hydrodynamics simulations and show that the resulting power spectra furnish a robust and stable statistical description of stellar convective turbulence. Analysis of the power spectra helps identify key physical parameters of the convective process such as the dominant scale of the turbulent motions that influence the structure of massive evolved pre-supernova stars. We introduce the numerical method that can be used to calculate vector spherical harmonics power spectra from two-dimensional (2D) and three-dimensional (3D) convective shell simulation data. Using this method we study the properties of oxygen shell burning and convection for a 15 M {sub ☉} star simulated by the hydrodynamics code FLASH in 2D and 3D. We discuss the importance of realistic initial conditions to achieving successful core-collapse supernova explosions in multidimensional simulations. We show that the calculated power spectra can be used to generate realizations of the velocity fields of presupernova convective shells. We find that the slope of the solenoidal mode power spectrum remains mostly constant throughout the evolution of convection in the oxygen shell in both 2D and 3D simulations. We also find that the characteristic radial scales of the convective elements are smaller in 3D than in 2D, while the angular scales are larger in 3D.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Convection, nucleosynthesis, and core collapse

We use a piecewise parabolic method hydrodynamics code (PROMETHEUS) to study convective burning in two dimensions in an oxygen shell prior to core collapse. Significant mixing beyond convective boundaries determined by mixing-length theory brings fuel (C-12) into the convective regon, causing hot spots of nuclear burning. Plumes dominate the velocity structure. Finite perturbations arise in a region in which O-16 will be explosively burned to Ni-56 when the star explodes; the resulting instabilities and mixing are likely to distribute Ni-56 throughout the supernova envelope. Inhomogeneities in Y(sub e) may be large enough to affect core collapse and will affect explosive nucleosynthesis. The nature of convective burning is dramatically different from that assumed in one-dimensional simulations; quantitative estimates of nucleosynthetic yields, core masses, and the approach to core collapse will be affected.

Bazan, Grant↗
NASA NTRSDate not supplied

Sirius: Simulation and Evaluation of Tactical Conflict Management in an Urban Environment

This presentation provides an overview of the SIRIUS framework, updates to the ICAROUS core modules, and highlights the results of recent simulation and evaluation of tactical deconfliction in an urban environment. The SIRIUS simulation framework provides a fast time method for simulation a large number of aircraft in parallel. Updates to the ICAROUS core modules highlighted in the presentation include the evaluation of the encounter type geometry and changes to the resolution type selection based on the encounter type and following right of way (ROW) rules. The main objective of the simulation was to evaluate the use of strategic and tactical conflict management strategies using a set of simulated UAM scenarios.

Andrew Peters↗
NASA NTRS2004

Spectroscopy of the Perseus Cluster

We present preliminary results of a XMM-Newton 50 ks observation of the Perseus Cluster that provides an unprecedented view of the central 0.5 Mpc region. The projected gas temperature declines smoothly by a factor of 2 from a maximum value of approx. 7 keV in the outer regions to just above 3 keV at the cluster center. Over this same range, the heavy-element abundance rises slowly from 0.4 to 0.5 solar as the radius decreases from 14 ft. to 5 ft., and then it rises to a peak of almost 0.7 solar at 1&farcm;25 before declining to 0.4 at the center. Th global east-west asymmetry of the gas temperature and surface brightness distributions, approximately aligned with the chain of bright galaxies, suggests an ongoing merger, although the modest degree of the observed asymmetry certainly excludes a major merger interpretation. The chain of galaxies probably traces the filament along which accretion started some time ago and is continuing at the present time. A cold and dense (low-entropy) cluster core like Perseus is probably well "protected" against the penetration of the gas of infalling groups and poor clusters, whereas in non-cooling core clusters such as Coma and A1367, infalling subclusters can penetrate deeply into the core region. In Perseus, gas associated with infalling groups may be stripped completely at the outskirts of the main cluster and only compression waves (shocks) may reach the central regions. We argue, and show supporting simulations, that the passage of such a wave(s) can qualitatively explain the overall horseshoe shaped appearance of the gas temperature map (the hot horseshoe surrounds the colder, low-entropy core) as well as other features of the Perseus Cluster core. These simulations also show that as compression waves traverse the cluster core, they can induce oscillatory motion of the cluster gas that can generate multiple sharp "edges" on opposite sides of the central galaxy. Gas motions induced by mergers may be a natural way to explain the high frequency of "edges" seen in clusters with cooling cores.

Jones, Christine↗
DOE OSTI2014

Assessment of a field-aligned ICRF antenna

Impurity contamination and localized heat loads associated with ion cyclotron range of frequency (ICRF) antenna operation are among the most challenging issues for ICRF utilization.. Another challenge is maintaining maximum coupled power through plasma variations including edge localized modes (ELMs) and confinement transitions. Here, we report on an experimental assessment of a field aligned (FA) antenna with respect to impurity contamination, impurity sources, RF enhanced heat flux and load tolerance. In addition, we compare the modification of the scrape of layer (SOL) plasma potential of the FA antenna to a conventional, toroidally aligned (TA) antenna, in order to explore the underlying physics governing impurity contamination linked to ICRF heating. The FA antenna is a 4-strap ICRF antenna where the current straps and antenna enclosure sides are perpendicular to and the Faraday screen rods are parallel to the total magnetic field. In principle, alignment with respect to the total magnetic field minimizes integrated E∥ (electric field along a magnetic field line) via symmetry. Consistent with expectations, we observed that the impurity contamination and impurity source at the FA antenna are reduced compared to the TA antenna. In both L and H-mode discharges, the radiated power is 20–30% lower for a FA-antenna heated discharge than a discharge heated with the TA-antennas. Further we observe that the fraction of RF energy deposited upon the antenna is less than 0.4 % of the total injected RF energy in dipole phasing. The total deposited energy increases significantly when the FA antenna is operated in monopole phasing. The FA antenna also exhibits an unexpected load tolerance for ELMs and confinement transitions compared to the TA antennas. However, inconsistent with expectations, we observe RF induced plasma potentials to be nearly identical for FA and TA antennas when operated in dipole phasing. In monopole phasing, the FA antenna has the highest plasma potentials and poor heating efficiency despite calculations indicating low integrated E∥. In mode conversion heating scenario, no core waves were detected in the plasma core indicating poor wave penetration. For monopole phasing, simulations suggest the antenna spectrum is peaked at very short wavelength and full wave simulations show the short wavelength has poor wave penetration to the plasma core.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Linear simulation of magnetohydrodynamic plasma response to three-dimensional magnetic perturbations in high-β P plasmas

In this work, we report the numerical analyses of linear magnetohydrodynamics (MHD) plasma response to applied three-dimensional magnetic perturbations (MPs) in a joint DIII-D/EAST collaboration on high-β P (poloidal beta) plasmas, utilizing the extended-MHD code M3D-C1, with the purpose of realizing a better understanding of the existing experiment in which the n=3 MPs were applied to such high-β P plasmas attempting to control large amplitude type-I ELMs. Such high-β P plasmas obtained at the DIII-D tokamak feature an upper-biased double null configuration, a high edge safety factor q 95 ~6.4, and a stable internal transport barrier (ITB) leading to relatively high core pressures. Single-fluid simulations show that the plasma response to n=3 MPs, including both non-resonant/kinking and resonant components, is significantly weaker than that to n=1 or 2 MPs. To survey the impact of q 95 on plasma response to applied MPs, the SEGWAY (Self-consistent Equilibrium Generating Workflow for AnalYsis) module, developed in the OMFIT integrated modelling framework, is employed to generate a series of equilibria with a wide range of q 95 while other key parameters including the normalized beta, electron density at pedestal top, and plasma shape are kept fixed. Compared to the vacuum response, single-fluid M3D-C1 simulations predict a much more significant decrease of resonant plasma response to the applied n=3 MPs at the maximum penetration radii as q 95 increases. In contrast to single-fluid simulation results showing resonant penetration occurs only near the pedestal top where the E×B toroidal rotation frequency is zero, two-fluid simulations show two comparable resonant penetrations locating near the pedestal top and the ITB foot, where the perpendicular electron rotation frequency is zero. Such resonant field penetration near the ITB foot may be responsible for the observed formation of a staircase structure in both electron density and temperature profiles and thereby a considerable deterioration of global plasma performance when MPs are applied in high-β P plasmas. Motivated by this numerical work, we provide some ideas for the future research, with the purpose of realizing effective ELM control in such high-β P plasmas on the DIII-D and EAST devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate

Lymphatic filariasis is a debilitating illness with an estimated 50 million cases as of 2018. The majority of cases are caused by the parasitic worm W. bancrofti and additional cases by the worms B. malayi and B. timori. Dihydrofolate reductase (DHFR) is an established target in the treatment of cancer, bacterial, and protozoal infections and may be a potential target for drugs targeting parasitic worm infections, including filariasis. Recent studies have shown that known antifolate compounds, including methotrexate, inhibit the activity of W. bancrofti DHFR (WbDHFR). However, the absence of structural information for filarial DHFRs has limited the study of more in-depth structure-function relationships. We report the structure of WbDHFR complexed with NADPH and folate using X-ray diffraction data measured to 2.47 Å resolution. The structure of WbDHFR reveals the usual DHFR fold and is currently only the second nematode DHFR structure in the Protein Data Bank. The equilibrium dissociation constants for NADPH (90 ± 29 nM) and folate (23 ± 4 nM) were determined by equilibrium titrations. The interactions of known antifolates with WbDHFR were analyzed using molecular docking programs and molecular dynamics simulations. Antifolates with a hydrophobic core and extended linker formed favorable interactions with WbDHFR. These combined data should now facilitate the rational design of filarial DHFR inhibitors, which in turn can be used to determine whether DHFR is a viable drug target for filariasis and whether existing antifolates may be repurposed for its treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Prestellar core formation, evolution, and accretion from gravitational fragmentation in turbulent converging flows

We investigate prestellar core formation and accretion based on three-dimensional hydrodynamic simulations. Our simulations represent local ∼1 pc regions within giant molecular clouds where a supersonic turbulent flow converges, triggering star formation in the post-shock layer. We include turbulence and self-gravity, applying sink particle techniques, and explore a range of inflow Mach numbers M=2−16. Two sets of cores are identified and compared: t{sub 1} cores are identified from a time snapshot in each simulation and represent dense structures in a single cloud map; t{sub coll} cores are identified at their individual time of collapse and represent the initial mass reservoir for accretion. We find that cores and filaments form and evolve at the same time. At the stage of core collapse, there is a well-defined, converged characteristic mass for isothermal fragmentation that is comparable to the critical Bonnor–Ebert mass at the post-shock pressure. The core mass functions (CMFs) of t{sub coll} cores show a deficit of high-mass cores (≳7 M{sub ⊙}) compared to the observed stellar initial mass function (IMF). However, the CMFs of t{sub 1} cores are similar to the observed CMFs and include many low-mass cores that are gravitationally stable. The difference between t{sub 1} cores and t{sub coll} cores suggests that the full sample from observed CMFs may not evolve into protostars. Individual sink particles accrete at a roughly constant rate throughout the simulations, gaining one core mass per freefall time even after the initial mass reservoir is accreted. High-mass sinks gain proportionally more mass at later times than low-mass sinks. There are outbursts in accretion rates, resulting from clumpy density structures falling into the sinks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A mountain-induced moist baroclinic wave test case for the dynamical cores of atmospheric general circulation models

Idealized test cases for the dynamical cores of atmospheric general circulation models are informative tools to assess the accuracy of the numerical designs and investigate the general characteristics of atmospheric motions. A new test case is introduced that is built upon a baroclinically unstable base state with an added orographic barrier. The topography is analytically prescribed and acts as a trigger of both baroclinic Rossby waves and inertia–gravity waves on a rotating, regular-sized planet. Both dry and idealized moist configurations are suggested. The latter utilizes the Kessler warm-rain precipitation scheme. The test case enhances the complexity of the existing test suite hierarchy and focuses on the impacts of two midlatitudinal mountain ridges on the circulation. Selected simulation examples from four dynamical cores are shown. These are the Spectral Element and Finite Volume dynamical cores, which are part of the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM), versions 2.1.3 and 2.2, and the Cubed-Sphere Finite Volume dynamical cores, which is new to CESM version 2.2. In addition, the Model for Prediction Across Scales (MPAS) is tested. The overall flow patterns agree well in the four dynamical cores, but the details can vary greatly. The examples highlight the broad palette of use cases for the test case and reveal physics–dynamics coupling issues.

58 GEOSCIENCES↗
DOE OSTI2025

Low spontaneous Brillouin scattering in anti-resonant hollow-core fibers in GHz frequency range

Brillouin light scattering (BLS) is a powerful experimental tool that can be used to gain insights into the fundamental and applied properties of matter, like dispersions of quasiparticles in a solid, as well as their spatiotemporal dynamics. Many applications of light scattering favor the use of optical fibers in place of free-space optics. In this study, we compare the performance of anti-resonant hollow core fibers to that of conventional solid core fused silica fibers for BLS experiments in the GHz frequency range. Conventional fibers are barely suitable for low-noise measurements because of the spontaneous scattering of photons on various phononic modes present in the core and cladding. In the case of the hollow-core fiber, we identify a range of discrete phononic modes and associate them with the various acoustic modes of the structure surrounding the hollow core using finite-element numerical simulations. The measured relative intensity of the spontaneous BLS signal from these modes is orders of magnitude smaller than that of a solid-core fiber, making anti-resonant hollow-core fibers one of the best solutions for the single-mode light guidance for BLS and potentially other low-noise photonic experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Demonstration and Verification of Thermo-Mechanical Bowing in a Limited Free-Bow SFR Concept Using MOOSE

Core bowing due to thermal gradients and irradiation induced swelling and creep introduces significant reactivity feedback effects in liquid metal-cooled fast spectrum reactors. During startup, normal operations, and transient events, differential thermal and flux gradients cause expansion, creep, and swelling, which results in bowing in preferential directions depending on local material properties and load-pad and restraint-ring design. The bowing phenomenon produces negative reactivity during accident conditions provided the restraint system has been properly designed to optimally guide the deformation outwards in the active core region. Under the Department of Energy Nuclear Energy Advanced Modeling and Simulation program, a Multiphysics Object Oriented Simulation Environment (MOOSE)-based multiphysics approach to model core bowing is being developed. The present work expands on previous modeling of simpler International Atomic Energy Agency (IAEA) verification problems with these tools by modeling IAEA Verification Problem 4, which involves a symmetric sector of a reactor core with ducted assemblies undergoing differential thermal expansion due to thermal gradients bowing outward with duct-to-duct contact. This model is available on the National Reactor Innovation Center Virtual Test Bed repository. This example was verified against benchmark participant results, which includes bowing deformation evaluation and duct-to-duct interactions at load pads with mechanical contact.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Improved core-edge compatibility using impurity seeding in the small angle slot (SAS) divertor at DIII-D

Impurity seeding studies in the slot divertor (SAS) at DIII-D have revealed a strong relationship between the detachment onset and pedestal characteristics with both target geometry and impurity species. N 2 seeding in the slot has led to the first simultaneous observation of detachment on the entire suite of boundary diagnostics viewing the SAS without degradation of core confinement. SOLPS-ITER simulations with D+C+N, full cross-field drifts and n-n collisions activated are performed for the first time in DIII-D to interpret the behavior. This illustrates a strong effect of divertor configuration and plasma drifts on the recycling source distribution with significant consequences on plasma flows. Flow reversal is found for both main ions and impurities affecting strongly the impurity transport and providing an explanation for the observed dependence on strike point location of the detachment onset and impurity leakage found in the experiments. Matched discharges with either nitrogen or neon injection show that while nitrogen does not significantly affect the pedestal, neon leads to increased pedestal pressure gradient and improved pedestal stability. Little nitrogen penetrates in the core, but a great amount of neon is found in the pedestal consistent with the different ionization potentials of the two impurities. This research demonstrates that neutral and impurity distributions in the divertor can be controlled through variations in strike point locations in a fixed baffle structure. Divertor geometry combined with impurity seeding enables mitigated divertor heat flux balancing core contamination and thus leading to enhanced divertor dissipation and improved core-edge compatibility which are essential for ITER and for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Dwarf galaxy dark matter density profiles inferred from stellar and gas kinematics

We present new constraints on the density profiles of dark matter (DM) halos in seven nearby dwarf galaxies from measurements of their integrated stellar light and gas kinematics. The gas kinematics of low-mass galaxies frequently suggest that they contain constant density DM cores, while N-body simulations instead predict a cuspy profile. We present a data set of high-resolution integral-field spectroscopy on seven galaxies and measure the stellar and gas kinematics simultaneously. Using Jeans modeling on our full sample, we examine whether gas kinematics in general produce shallower density profiles than are derived from the stars. Although two of the seven galaxies show some localized differences in their rotation curves between the two tracers, estimates of the central logarithmic slope of the DM density profile, γ, are generally robust. The mean and standard deviation of the logarithmic slope for the population are γ = 0.67 ± 0.10 when measured in the stars and γ = 0.58 ± 0.24 when measured in the gas. We also find that the halos are not under-concentrated at the radii of half their maximum velocities. Finally, we search for correlations of the DM density profile with stellar velocity anisotropy and other baryonic properties. Two popular mechanisms to explain cored DM halos are an exotic DM component or feedback models that strongly couple the energy of supernovae into repeatedly driving out gas and dynamically heating the DM halos. While such models do not yet have falsifiable predictions that we can measure, we investigate correlations that may eventually be used to test models. We do not find a secondary parameter that strongly correlates with the central DM density slope, but we do find some weak correlations. The central DM density slope weakly correlates with the abundance of α elements in the stellar population, anti-correlates with H I fraction, and anti-correlates with vertical orbital anisotropy. We expect, if anything, the opposite of these three trends for feedback models. Determining the importance of these correlations will require further model developments and larger observational samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Design and execution of a verification, validation, and uncertainty quantification plan for a numerical model of left ventricular flow after LVAD implantation

Left ventricular assist devices (LVADs) are implantable pumps that act as a life support therapy for patients with severe heart failure. Despite improving the survival rate, LVAD therapy can carry major complications. Particularly, the flow distortion introduced by the LVAD in the left ventricle (LV) may induce thrombus formation. While previous works have used numerical models to study the impact of multiple variables in the intra-LV stagnation regions, a comprehensive validation analysis has never been executed. The main goal of this work is to present a model of the LV-LVAD system and to design and follow a verification, validation and uncertainty quantification (VVUQ) plan based on the ASME V&V40 and V&V20 standards to ensure credible predictions. The experiment used to validate the simulation is the SDSU cardiac simulator, a bench mock-up of the cardiovascular system that allows mimicking multiple operation conditions for the heart-LVAD system. The numerical model is based on Alya, the BSC’s in-house platform for numerical modelling. Alya solves the Navier-Stokes equation with an Arbitrary Lagrangian-Eulerian (ALE) formulation in a deformable ventricle and includes pressure-driven valves, a 0D Windkessel model for the arterial output and a LVAD boundary condition modeled through a dynamic pressure-flow performance curve. The designed VVUQ plan involves: (a) a risk analysis and the associated credibility goals; (b) a verification stage to ensure correctness in the numerical solution procedure; (c) a sensitivity analysis to quantify the impact of the inputs on the four quantities of interest (QoIs) (average aortic root flow $Q^{avg}_{Ao}$, maximum aortic root flow $Q^{max}_{Ao}$, average LVAD flow $Q^{avg}_{VAD}$, and maximum LVAD flow $Q^{max}_{VAD}$; (d) an uncertainty quantification using six validation experiments that include extreme operating conditions. Numerical code verification tests ensured correctness of the solution procedure and numerical calculation verification showed a grid convergence index (GCI)95% <3.3%. The total Sobol indices obtained during the sensitivity analysis demonstrated that the ejection fraction, the heart rate, and the pump performance curve coefficients are the most impactful inputs for the analysed QoIs. The Minkowski norm is used as validation metric for the uncertainty quantification. It shows that the midpoint cases have more accurate results when compared to the extreme cases. The total computational cost of the simulations was above 100 [core-years] executed in around three weeks time span in Marenostrum IV supercomputer. This work details a novel numerical model for the LV-LVAD system, that is supported by the design and execution of a VVUQ plan created following recognised international standards. We present a methodology demonstrating that stringent VVUQ according to ASME standards is feasible but computationally expensive.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

ASME V\&V challenge problem: Surrogate-based V&V

The process of verification and validation can be resource intensive. From the computational model perspective, the resource demand typically arises from long simulation run times on multiple cores coupled with the need to characterize and propagate uncertainties. In addition, predictive computations performed for safety and reliability analyses have similar resource requirements. For this reason, there is a tradeoff between the time required to complete the requisite studies and the fidelity or accuracy of the results that can be obtained. At a high level, our approach is cast within a validation hierarchy that provides a framework in which we perform sensitivity analysis, model calibration, model validation, and prediction. The evidence gathered as part of these activities is mapped into the Predictive Capability Maturity Model to assess credibility of the model used for the reliability predictions. With regard to specific technical aspects of our analysis, we employ surrogate-based methods, primarily based on polynomial chaos expansions and Gaussian processes, for model calibration, sensitivity analysis, and uncertainty quantification in order to reduce the number of simulations that must be done. The goal is to tip the tradeoff balance to improving accuracy without increasing the computational demands.

42 ENGINEERING↗
DOE OSTI2013

Simulation Toolkit for Renewable Energy Advanced Materials Modeling

STREAMM is a collection of python classes and scripts that enables and eases the setup of input files and configuration files for simulations of advanced energy materials. The core STREAMM python classes provide a general framework for storing, manipulating and analyzing atomic/molecular coordinates to be used in quantum chemistry and classical molecular dynamics simulations of soft materials systems. The design focuses on enabling the interoperability of materials simulation codes such as GROMACS, LAMMPS and Gaussian.

Sides, Scott↗