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At least 991 records · Page 55

Steady state cooling flow models for normal elliptical galaxies

An extensive grid of steady state cooling flow models for the hot gas in elliptical galaxies is calculated. The effects of allowing inflow of surrounding gas and varying the supernova heating rate, the mass distribution of the galaxy, the rate of stellar mass loss, and the outer boundary pressure are studied. The X-ray luminosities, spectra, and surface brightness profiles of the galaxies are computed. In all of the models, the gas density varies approximately as r exp -3/2. In the models with heavy halos, the X-ray and optical surface brightnesses are nearly proportional to one another within individual galaxies, and the temperature profiles are roughly isothermal.

Sarazin, Craig L.↗

Numerical Analysis of Novel Plate Type Heat Exchanger with Oval-Twisted Channels

The novel heat exchanger (HX) designs implementing geometrical and surface modification combinations are expected to perform better than traditional HX technologies. Applied enhancement techniques seek to achieve (1) higher overall heat transfer performance, (2) increased compactness, and (3) simplified or comparable manufacturability. One innovative enhancement technique is to generate swirling flow vortices induced by channel or tube twisting. The turbulence generated by the twisted cross-section greatly enhances the heat transfer rate with minimal increases in pressure drop. Plate-type HXs and Printed Circuit Heat Exchangers (PCHXs) are compact designs that achieve high heat transfer rates per unit volume by utilizing several small channels, which maximizes the heat transfer surface area between the hot and cold fluids. Currently, advanced manufacturing technologies enable the design and fabrication of compact-type units with complicated channel geometries to achieve the highest performance and meet the compactness criteria of innovative HX technology. The proposed HX design concept combines the compactness of plate-type HXs and twisted channels, which provide additional turbulence and flow swirl enhancement. The plate-type oval-twisted HX (PTOTHX) is a crossflow configuration, with 16 short channels on one side (for hot fluid) and 8 long channels on the perpendicular side (for cold fluid). The inlet plenums have flow guide vanes to redirect flow and produce uniformity across the various flow paths. The compact size and purportedly improved heat transfer performance of the PTOTHX investigated herein prove its viability in various applications. Some notable potential nuclear applications of the PTOTHX include reactor core, spent fuel cooling, and residual heat dissipation. To establish a reference case, circular channels (PTCHX) are also considered in the present study for comparison with (PTOTHX). This paper aims to outline the numerical analysis procedures for determining the viability of the PTOTHX by comparing its heat transfer performance with the PTCHX units. The computational study used STAR-CCM+, a commercial computational fluid dynamics (CFD) code. Sensitivity analysis and model selection studies are conducted to determine the appropriate mesh density and turbulence model to provide the reported results. Numerical analyses comparing the Nusselt number (Nu) of the PTOTHX design with a comparable HX unit, including a circular cross-section and no twisting (PTCHX), show an overall heat transfer performance increase of 29-55% for balanced flow and 29-59% for imbalanced flow. Oval-cross-sectional twisted channels induce swirling flow vortices, enhancing the working fluid's convective heat transfer capabilities.

25 ENERGY STORAGE↗

Plasmaspheric Density Troughs: Global IMAGE EUV Observations and Analysis via Global Core Plasma Modeling

To date, the IMAGE EUV camera has observed several plasmaspheric density trough features inside the plasmapause under a wide range of geomagnetic activity. From the perspective of EUV, a density trough feature appears as a channel of diminished pixel counts which spans a width of L-shell (DELTA L) and magnetic local time (MLT) inside the plasmapause. Plasmaspheric density troughs are found to be morphologically complex possessing considerable spatial and temporal variability. We present an analysis of the evolution of trough DELTA L and MLT extent as functions of associated D (sub ST) and K (sub p) history. Trough features range in size from 0.16 less than or equal to DELTA L less than or equal to 1.2 with azimuthal extent from 1500 less than or equal to MLT less than or equal to 1200. All cases of plasmaspheric density troughs studied to date appear to have evolved as a result of the inner edge of the afternoon/evening plasma drainage plume being wrapped around through the nightside plasmasphere. The structure of plasmaspheric density trough features is further probed by analyzing simulated EUV images produced by forward modeling artificially introduced regions of depleted density into both static and dynamic global core plasmaspheric models. Forward modeling suggests that (1) L-shell refilling of density troughs during storm recovery can be modeled as filling from the ionosphere toward the equator (i.e., bottom-up refilling), and (2) that an erosion process is operating within flux tubes beyond the outer L-shell wall of the observed density troughs.

Adrian, M. L.↗

Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. In this work, we show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated by the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Lastly, analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 10 24 e/cm 3 ) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Understanding the Photocatalytic Properties of Pt/CeO x /TiO 2 : Structural Effects on Electronic and Optical Properties

Ceria-titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. Yet, the complexity of this hierarchical structure hampers the study of the origin of its outstanding properties. In this article, the structural, electronic and optoelectronic properties of CeO 2 /TiO 2 systems containing 1D, 2D, and 3D particles of ceria are analyzed by means of density functional calculations. Adsorption sites and vacancy effects have been studied to model Pt adsorption. Density of states calculations and absorption spectra simulations explain the behavior of these systems. Conclusively, these models are used for the screening of other metals that can be combined with this heterostructure to possibly find more efficient water splitting photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatially explicit terrestrial carbon densities for calibrating the carbon cycle in human-Earth system Models

Soil and vegetation carbon stocks play a critical role in human-Earth system models. These stocks (denominated as densities in MgC/ha) affect variables such as land use change emissions and also influence land use change pathways under climate forcing scenarios where terrestrial carbon is assigned a carbon price. Here we present reharmonized soil and vegetation carbon densities both at the 5-arcmin resolution grid cell level and also aggregated to 235 water sheds for 4 land use types (Cropland, Grazed land, Urban land and unmanaged vegetation) and 15 unmanaged land cover types. Moreover, we use the distribution of carbon within and across pixels to define statistical "states" of carbon, once again differentiated by land type. These statistical states are used to define a range of possible carbon values that can be used for defining initial conditions of soil and vegetation carbon in human-Earth system models. We implement these data in a state-of-the-art multi sector dynamics model, namely the Global Change Analysis Model (GCAM), and show that these new data improve several land use responses, especially when terrestrial carbon is assigned a carbon price.

54 ENVIRONMENTAL SCIENCES↗

Initial development of a new empirical model of the earth's inner magnetosphere for density, temperature, and composition

The analytical representation of plasma characteristics in the near earth environment is a valuable tool for studying wave propagation, for new instrument and spacecraft design, and for developing a better theoretical understanding of plasmaspheric processes. There are no empirical models currently available that encompass the near-earth environment and include the core or low-energy plasma characteristic of that region. The initial steps to constructing a new empirical model of plasmaspheric density, temperature, and composition are discussed. A limited set of density measurements from the retarding ion mass spectrometer and the plasma wave instrument on the Dynamics Explorer 1 spacecraft is used to demonstrate features of the proposed analytical formalism.

Gallagher, D. L.↗

Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory

Accurately modeling photochemical reactions is difficult due to the presence of conical intersections and locally avoided crossings, as well as the inherently multiconfigurational character of excited states. As such, one needs a multistate method that incorporates state interaction in order to accurately model the potential energy surface at all nuclear coordinates. The recently developed linearized pair-density functional theory (L-PDFT) is a multistate extension of multiconfiguration PDFT, and it has been shown to be a cost-effective post-MCSCF method (as compared to more traditional and expensive multireference many-body perturbation methods or multireference configuration interaction methods) that can accurately model potential energy surfaces in regions of strong nuclear–electronic coupling in addition to accurately predicting Franck–Condon vertical excitations. Here, in this paper, we report the derivation of analytic gradients for L-PDFT and their implementation in the PySCF-forge software, and we illustrate the utility of these gradients for predicting ground- and excited-state equilibrium geometries and adiabatic excitation energies for formaldehyde, s-trans-butadiene, phenol, and cytosine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model representation of the ambient electron density distribution in the middle atmosphere

While the Langmuir probe controlled by rocket propagation experiments by the University of Illinois at midlatitude revealed the existence of a permanent D region turning point (DTP), similar measurements over the Thumba equatorial station did not clearly bring out the above daytime feature. Moreover, the calibration constant (ratio of electron density to the current drawn by the Langmuir probe) increased with height (in the 70 to 100 km region) in the case of the midlatitude observations whereas the recent measurements over Thumba showed a decrease up to about 90 km followed by an increase above 90 km. Secondly, there is the problem of reconciling the station oriented observations from the COSPAR family with the ground based radio propagation measurements from the URSI family. Thirdly, new information on Winter in Northern Europe (WINE) and in USSR is available by asking for its incorporation into any global model such as the IRI. The results of investigation of the above aspects are presented.

Ramanamurty, Y. V.↗

Plasma expansion and evolution of density perturbations in the polar wind - Comparison of semikinetic and transport models

Comparisons are made between transport and semikinetic models in a study of the time evolution of plasma density perturbations in the polar wind. The situations modeled include plasma expansion into a low-density region and time evolution of localized density enhancements and cavities. The results show that the semikinetic model generally yields smoother profiles in density, drift velocity, and ion temperature than the transport model, principally because of ion velocity dispersion. While shocks frequently develop in the results of the transport model, they do not occur in the semikinetic results. In addition, in the semikinetic results, two ion streams, or double-humped distributions, frequently develop. In the transport model results the bulk parameters, at a given time, often have a one-to-one correspondence in the locations of their local minima or maxima. This is a consequence of the coupling of the fluid equations. There is, however, no such relationship among the moments produced by the semikinetic model where the local moment maxima and minima are often shifted in altitude. In general, incorporation of enhanced heat fluxes in the transport model leads to somewhat improved agreement with the semikinetic results.

Ho, C. W.↗

Phase diagram of the one-dimensional t 1 - t 2 - J model: Ferromagnetism, triplet pairing, and charge and pair density waves

Here, we present a density matrix renormalization group (DMRG) study of an extended t-J model with hopping to the first and second neighbors -- the one dimensional t 1 -t 2 -J model. The full phase diagram as a function of the density n and exchange strength J, for both positive and negative values of t 2 , is obtained. For t 2 = -0.5 we observe that, in the strongly interacting region, Nagaoka Ferromagnetism (FM) is accompanied by a triplet pair density wave (PDW) upon doping. As the spin exchange J increases, a charge density wave (CDW) phase emerges and then gives way to singlet superconductivity (SC). This phase behaves as a singlet PDW with vanishing spacial average of the order parameter and a spin gap. When t 2 = 0.5, the physics is basically reminiscent of the conventional t-J model, undergoing a transition from a metallic to a SC phase as a function of J.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effects of primordial fluctuations on the abundances of light elements

Some of the effects of primordial inhomogeneities on the production of H-2, He-3, and Li-7 are investigated. For the most part, temperature fluctuations have only small effects on the abundances. The density fluctuations are modeled by a unimodal distribution so that the Universe is characterized by the mean density and the relative amplitude of the density variations. It has been found that the constraint which H-2 production imposes on the mean mass density is eased somewhat by allowing for density inhomogeneities. However, unless the composition of the interstellar matter is atypical of most of the matter in the Universe, the mass density will be at least a factor of 3 below the critical density. For reasonable estimates of the pregalactic abundances, sufficient He-3 and Li-7 cannot be produced in the same model universe. Production of both Li-7 and H-2 requires large-amplitude primordial fluctuations, while sufficient He-3 and H-2 can be formed in very low-density, fairly homogeneous universes.

Epstein, R. I.↗

Plasma equation of state accounting for ion core volume

Highlights: •Thermodynamically consistent Saha model accounting for non-point ion cores is constructed. •The applicability range of the model is expanded on superhigh densities and moderate temperatures. •Experimental verification of the model is performed which has demonstrated that the achieved accuracy is about 1% for pressures larger than 11 Mbar. -- Abstract: Equation of state for gaseous plasma is well described by the Saha model. In the present paper, we include accounting for finite ion core volumes into this model. This improvement allows to expand the Saha model on superhigh densities and moderate temperatures where plasma can be considered liquid. In this domain, thermodynamics of the Saha model is essentially close to the one of the Tomas–Fermi model which is conventionally used for condensed matter. To construct wide-range equation of state, we imply interpolation of the two mentioned models providing rigorous thermodynamic consistency. Comparison with experimental data on shock adiabats shows good agreement for a very wide range of pressures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High-Latitude Thermosphere Neutral Density Response to Solar Wind Dynamic Pressure Enhancement

We examine the response of the thermosphere to the impact of solar wind dynamic pressure enhancements using observations and global magneto-hydrodynamics (MHD) simulations by the OpenGGCM model. Combining neutral density observations from the Challenging Minisatellite Payload (CHAMP) and the Gravity Recovery and Climate Experiment (GRACE) satellites with simultaneous Poynting flux measurements from the Defense Meteorological Satellite Program (DMSP) F16, we find that thermospheric density as well as downward Poynting flux intensified shortly after a sudden enhancement of the solar wind dynamic pressure. The intensification manifested mostly on the dayside high-latitude region with peak intensity in the vicinity of the noon and prenoon cusp. OpenGGCM modeling results show that the ionospheric Joule heating increased abruptly in response to the sudden enhancement of the dynamic pressure in the same region as the observed Poynting flux and neutral density enhancements. The modeling results show that the enhanced Joule heating coincides, both in time and location, with the appearance of a pair of high-latitude localized field-aligned currents (FACs) in the cusp region. The FACs intensified and extended azimuthally. Coincidental with the solar wind dynamic pressure enhancement, the y component of the interplanetary magnetic field (IMF) By became strongly positive and, in addition, had some large fluctuations. We explore the separate and combined effects of the dynamic pressure and IMF By perturbations, with specifically designed simulation experiments that isolate the effect of each solar wind parameter. We find that the dynamic pressure enhancement is the primary source for the Joule heating and neutral density enhancements, but the IMF By modulates the level of enhancement.

magneto-hydrodynamics↗

Comparison Between the f-Electron and Conduction-Electron Density of States in the Falicov-Kimball Model at Low Temperature

The spinless Falicov-Kimball model is one of the simplest models of many-body physics. While the conduction-electron density of states is temperature independent in the normal state, the f -electron density of states is strongly temperature dependent—it has an orthogonality catastrophe singularity in the metallic phase and is gapped in the insulating phase. The question we address here is whether the spectral gap is the same for both electron species as T → 0. Finally, we find strong evidence to indicate that the answer is affirmative.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A priori analysis of a power-law sub-filter scale mixing model for transported PDF modeling of high Karlovitz turbulent premixed flames

Accurate modeling of mixing in large-eddy simulation (LES) / transported probability density function (PDF) modeling of turbulent combustion remains an outstanding issue. The issue is particularly salient in turbulent premixed combustion under extreme conditions such as high-Karlovitz number Ka. Here, the present study addresses this issue by conducting an a priori analysis of a power-law scaling based mixing timescale model for the transported PDF model. A recently produced DNS dataset of a high-Ka turbulent jet flame is used for the analysis. A power-law scaling is observed for a scaling factor used to model the sub-filter scale mixing timescale in this high-Ka turbulent premixed DNS flame when the LES filter size is much greater than the characteristic thermal thickness of a laminar premixed flame. The sensitivity of the observed power-law scaling to the different viewpoints (local or global) and to the different scalars for the data analysis is examined and the dependence of the model parameters on the dimensionless numbers Ka and Re (the Reynolds number) is investigated. Different model formulations for the mixing timescale are then constructed and assessed in the DNS flame. The proposed model is found to be able to reproduce the mixing timescale informed by the high-Ka DNS flame significantly better than a previous model.

42 ENGINEERING↗

Representing Nitrogen, Phosphorus, and Carbon Interactions in the E3SM Land Model: Development and Global Benchmarking

Over the past several decades, the land modeling community has recognized the importance of nutrient regulation on the global terrestrial carbon cycle. Implementations of nutrient limitation in land models are diverse, varying from applying simple empirical down–regulation of potential gross primary productivity under nutrient deficit conditions to more mechanistic treatments. In this study, we introduce a new approach to model multinutrient (nitrogen [N] and phosphorus [P]) limitations in the Energy Exascale Earth System Model (E3SM) Land Model version 1 (ELMv1–ECA). The development is grounded on (1) advances in representing multiple–consumer, multiple–nutrient competition; (2) a generic dynamic allocation scheme based on water, N, P, and light availability; (3) flexible plant CNP stoichiometry; (4) prognostic treatment of N and P constraints on several carbon cycle processes; and (5) global data sets of plant physiological traits. Through benchmarking the model against best knowledge of global plant and soil carbon pools and fluxes, we show that our implementation of nutrient constraints on the present–day carbon cycle is robust at the global scale. Compared with predecessor versions, ELMv1–ECA better predicts global–scale gross primary productivity, ecosystem respiration, leaf area index, vegetation biomass, soil carbon stocks, evapotranspiration, N2O emissions, and NO3– leaching. Factorial experiments imply that representing the phosphorus cycle improves modeled carbon fluxes, while considering dynamic allocation improves modeled carbon stock density. We also illustrate the value of using the International Land Model Benchmarking (ILAMB) package to evaluate and document performance during model development.

58 GEOSCIENCES↗

Energy-dependent optimization of the prompt fission neutron spectrum with CGMF

Throughout the course of FY21, significant effort was put into investigating models within the LANL developed Hauser-Feshbach fission fragment decay code, CGMF, to understand and potentially solve the long-standing challenge of a too-soft prompt fission neutron spectrum, PFNS. Several inputs and models to CGMF were investigated, including the discrete nuclear levels, the optical model potential, level densities, and the fission fragment initial conditions. Some of the global models within CGMF led to a slight hardening of the neutron spectrum—particularly the likely incomplete discrete levels in through which γ-rays decay—but none of the changes where large enough for the tail of the PFNS to reproduce experimental data. A significant hardening of the spectrum tail was observed when the fission fragment initial conditions were optimized based on their sensitivities to the PFNS data for thermal incident neutrons. In this way, the parameters for the CGMF mass and total kinetic energy distributions, along with the spin cutoff factor were adjusted to better reproduce the experimental PFNS measurements. This optimization hardened the tail of the PFNS slightly but led to unphysical mass distributions for the fission fragments before neutron emission. It was clear from the above that we do not expect to be able to produce an evaluation-quality PFNS with CGMF in the near future. Challenges at thermal will persist–and possibly worsen–with increasing incident energy, where more models are needed to completely describe the fission. Basic-science research funding exceeding the amount available and scope of our NCSP funds would be needed to tackle this decade-long challenge impacting many fission-fragment event generator. And, in fact, Amy Lovell won LDRD ECR funding to do so over the next few years. Therefore, we focused in FY22 on extending evaluation capabilities beyond thermal incident neutrons, to take into account the incident energy dependence of the PFNS and fission fragment initial condition distributions in CGMF. We chose to set up the evaluation methodology to perform PFNS evaluations with CGMF across incident-neutron energies, in order to have it readily available for future NCSP evaluations when the PFNS from CGMF has improved. In this report, we outline the evaluation methodology, along with the results of the optimization, including full model calculations with CGMF using the evaluated parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗