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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The LAKE model input dataset for three Arctic lakes

This dataset contains meteorological data collected for three Arctic lakes and compiled to satisfy input requirements of the LAKE 2.0 model. The dataset was generated to act as a benchmarking dataset for future model-data inter-comparisons. The LAKE 2.0 model simulates temperatures within the water later and the sedimentary layer of a lake. The LAKE2.0. is an open-source code and available to download via this weblike http://tesla.parallel.ru/Viktor/LAKE/-/wikis/LAKE-model (last visit July 14, 2021). The meteorological data are required to simulate the surface energy balance at the surface of a lake. This dataset includes a compilation of the meteorological data pulled from multiple data streams, including National Oceanic and Atmospheric Administration (NOAA) climate data, Circumarctic Lakes Observation Network (CALON) data, and the United States Geological Survey (USGS) data. The data were compiled for three Arctic lakes: FoxDen (66.55877, -164.45670), Atqasuk (70.452497, -156.951984), and Toolik (68.63150, -149.60740). Each meteorological data is in comma-delimited format (file extension ‘.dat’) and includes eight columns: Temperature [K], Pressure [Pa], longwave downward radiation [W/m2], shortwave downward radiation [W/m2], “U” wind speed [m/s], ”V” wind speed [m/s], humidity [kg/kg], precipitation [m/s]. In addition to the meteorological data file, we included setup and driver files. The Toolik lake is the deepest out of three lakes and has inflowing and outflowing groundwater data. InflowOutflowREADME.txt has more information about inflow and outflow flies. The other two lakes are much shallower and modeled as a closed system (i.e. no water inflow or outflow).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

TOUGH3/EOS7MG (EOS7MG) v1.1

EOS7MG is a new TOUGH3 module for modeling water, brine, and multiple gas mixtures in the subsurface multiphase flow system. The module allows mixture of as more as three gas components selecting from a list of predefined gases (CH4, C2H6, C3H8, H2S, CO2, N2, NO2, H2, and AIR). EOS7MG was developed based on EOS7C and inherited the general modeling capabilities of the TOUGH3 platform. It uses cubic equation of states for gas density, viscosity, and enthalpy calculation. The module provides the selection options for Peng-Robinson, Redlich-Kwong, or Soave-Redlich-Kwong equations of state. The subsurface flow and transport of gas and aqueous phase mixtures over a wide range of pressures and temperatures is modeled with a multiphase Darcy's Law and an accurate chemical equilibrium approach as originally implemented in EOS7C is used for calculation of the solubilities of different mass components. EOS7MG was designed to allow flexible number of components based on the number of gases included in the model. The potential application of this module may include subsurface gas storage, energy storage, CCS, enhanced gas recovery, and more.

Zhang, Keni↗
NASA NTRS1986

Submillimeter and millimeter observations of Uranus and Neptune

Neptune and Uranus were studied at submillimeter and millimeter wavelengths for 2 yr using the UK IR telescope and the NASA IR telescope at Mauna Kea and the 12 dish at Kitt Peak, AZ. The brightness temperatures of both planets are provided at various wavelengths over the 0.35-3.3 mm interval scanned in the study. The present data, in combination with data from the 17 microns-3 mm interval scanned in the study. The present data, in combination with data from the 17 microns-3 mm interval taken during previous campaigns, are employed to model the temperature structures in the atmospheres of the two planets over the vertical range 100 mbar-8 bar. The data support the presence of active convection processes at the 1 bar level and deeper in both atmospheres. A static equilibrium however, exists between para-H2 and ortho-H2, along with a constant CH4 fraction of 2 percent. Deficiencies in the current database are detailed.

Orton, G. S.↗
DOE OSTI2021

Modeling dark- and light-induced crystal structures and single-crystal optical absorption spectra of ruthenium-based complexes that undergo SO 2 -linkage photoisomerization

A family of coordination complexes of the type [Ru(SO 2 )(NH 3 ) 4 X] m+ Y n – (m, n = 1 or 2) exhibit optical switching capabilities in their single-crystal states. This striking effect is caused by the light-induced formation of SO 2 -linkage photoisomers, which are metastable if kept at suitably cool temperatures. We modeled the dark- and light-induced states of these large crystalline complexes via plane-wave (PW)- and molecular-orbital (MO)-based density functional theory (DFT) and time-dependent DFT in order to calculate their structural and optical properties; the calculated results are compared with experimental data. We show that the PW-DFT-based periodic models replicate the structural properties of these complexes more effectively than the MO-DFT-based molecular-fragment models, observing only small deviations in key bond lengths relative to the experimentally derived crystal structures. The periodic models were also found to more effectively simulate trends seen in experimental optical absorption spectra, with optical absorbance and coverage of the visible region increasing with the formation of the photoinduced geometries. The contribution of the metastable photoisomeric species more heavily focuses on the lower-energy end of the spectra. Spectra generated from the molecular-fragment models are limited by the geometry of the fragment used and the number of excited-state roots considered in those calculations. In general, periodic models outperform the molecular-fragment models owing to their ability to better appreciate the periodic phenomena that are present in these crystalline materials as opposed to MO approaches, which are finite methods. We thus demonstrate that PW-DFT-based periodic models should be considered as a more than viable method for simulating the optical and electronic properties of these single-crystal optical switches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The effect of temperature evolution on the interior structure of H{sub 2}O-rich planets

For most planets in the range of radii from 1 to 4 R {sub ⊕}, water is a major component of the interior composition. At high pressure H{sub 2}O can be solid, but for larger planets, like Neptune, the temperature can be too high for this. Mass and age play a role in determining the transition between solid and fluid (and mixed) water-rich super-Earth. We use the latest high-pressure and ultra-high-pressure phase diagrams of H{sub 2}O, and by comparing them with the interior adiabats of various planet models, the temperature evolution of the planet interior is shown, especially for the state of H{sub 2}O. It turns out that the bulk of H{sub 2}O in a planet's interior may exist in various states such as plasma, superionic, ionic, Ice VII, Ice X, etc., depending on the size, age, and cooling rate of the planet. Different regions of the mass-radius phase space are also identified to correspond to different planet structures. In general, super-Earth-size planets (isolated or without significant parent star irradiation effects) older than about 3 Gyr would be mostly solid.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Test-Free Fracture Toughness

Computational simulation results can give the prediction of damage growth and progression and fracture toughness of composite structures. The experimental data from literature provide environmental effects on the fracture behavior of metallic or fiber composite structures. However, the traditional experimental methods to analyze the influence of the imposed conditions are expensive and time consuming. This research used the CODSTRAN code to model the temperature effects, scaling effects and the loading effects of fiberbraided composite specimens with and without fiber-optic sensors on the damage initiation and energy release rates. The load-displacement relationship and fracture toughness assessment approach is compared with the test results from literature and it is verified that the computational simulation, with the use of established material modeling and finite element modules, adequately tracks the changes of fracture toughness and subsequent fracture propagation for any fiberbraided composite structure due to the change of fiber orientations, presence of large diameter optical fibers, and any loading conditions.

Minnetyan, Levon↗
NASA NTRS2003

Test-Free Fracture Toughness

Computational simulation results can give the prediction of damage growth and progression and fracture toughness of composite structures. The experimental data from literature provide environmental effects on the fracture behavior of metallic or fiber composite structures. However, the traditional experimental methods to analyze the influence of the imposed conditions are expensive and time consuming. This research used the CODSTRAN code to model the temperature effects, scaling effects and the loading effects of fiber/braided composite specimens with and without fiber-optic sensors on the damage initiation and energy release rates. The load-displacement relationship and fracture toughness assessment approach is compared with the test results from literature and it is verified that the computational simulation, with the use of established material modeling and finite element modules, adequately tracks the changes of fracture toughness and subsequent fracture propagation for any fiber/braided composite structure due to the change of fiber orientations, presence of large diameter optical fibers, and any loading conditions.

Minnetyan, Levon↗
NASA NTRS2002

A Nonlinear Viscoelastic Model for Ceramics at High Temperatures

High-temperature creep behavior of ceramics is characterized by nonlinear time-dependent responses, asymmetric behavior in tension and compression, and nucleation and coalescence of voids leading to creep rupture. Moreover, creep rupture experiments show considerable scatter or randomness in fatigue lives of nominally equal specimens. To capture the nonlinear, asymmetric time-dependent behavior, the standard linear viscoelastic solid model is modified. Nonlinearity and asymmetry are introduced in the volumetric components by using a nonlinear function similar to a hyperbolic sine function but modified to model asymmetry. The nonlinear viscoelastic model is implemented in an ABAQUS user material subroutine. To model the random formation and coalescence of voids, each element is assigned a failure strain sampled from a lognormal distribution. An element is deleted when its volumetric strain exceeds its failure strain. Element deletion has been implemented within ABAQUS. Temporal increases in strains produce a sequential loss of elements (a model for void nucleation and growth), which in turn leads to failure. Nonlinear viscoelastic model parameters are determined from uniaxial tensile and compressive creep experiments on silicon nitride. The model is then used to predict the deformation of four-point bending and ball-on-ring specimens. Simulation is used to predict statistical moments of creep rupture lives. Numerical simulation results compare well with results of experiments of four-point bending specimens. The analytical model is intended to be used to predict the creep rupture lives of ceramic parts in arbitrary stress conditions.

Powers, Lynn M.↗
DOE OSTI2026

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗
DOE OSTI2019

Micron-sized spinel crystals in high level waste glass compositions: Determination of crystal size and crystal fraction

The compositions utilized for immobilization of nuclear waste are controlled using glass property models to avoid the deleterious effects of crystallization in the high-level waste (HLW) vitrification melters. The type and size of the crystals that precipitate during melter operations (typically at 1150 °C) and idling (~ 1000 °C) are significantly impacted by glass composition and thermal history. This study was conducted to measure the impact of melt composition and heat treatment temperature on crystal size and fraction. A matrix of 31 multi-component glasses canvasing the expected Hanford HLW compositional space was developed and the glasses fabricated and heat treated at 850 = T = 950°C. The crystal filling fraction values, as determined by X-ray diffraction, varied from 0.2 to 41.0 wt%. Spinel filling fraction values ranged from 0.0 to 13.8 wt%. One glass of the matrix did not precipitate spinel and contained 0.2 wt% RuO 2 , which was assumed to be undissolved from the melting process. All compositions contained crystals in the as-quenched glass. All of the spinel based crystals present in the glasses were less than 10 µm in diameter, as determined by scanning electron microscopy. Composition and temperature dependent models were generated using the resulting data and the best model fit was obtained by only considering spinel filling fractions (R 2 = 0.83). Two glasses were unable to be characterized due to an inability to process the glass under the conditions of this study. Those glasses were utilized to give insight into a potential multi-component constraint to aid in future statistical composition designs.

Lonergan, C. E.↗
DOE OSTI2013

Single-crystal structure of Nd{sub 5}Mo{sub 3}O{sub 16} at T = 30 K

A precision X-ray diffraction study of Nd{sub 5}Mo{sub 3}O{sub 16} single crystals is performed for the first time at 30 K. Measurements in the range from room temperature to 30K showed that the unit-cell parameters and volume change smoothly. The crystal structure at T = 30 K is similar to that at room temperature. The model of splitting of the atomic positions is confirmed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

XRISM Reveals Low Nonthermal Pressure in the Core of the Hot, Relaxed Galaxy Cluster A2029

We present XRISM Resolve observations of the core of the hot, relaxed galaxy cluster Abell 2029 (A2029). We find that the line-of-sight bulk velocity of the intracluster medium (ICM) within the central 180 kpc is at rest with respect to the brightest cluster galaxy, with a 3σ upper limit of ∣vbulk∣ < 100 km s−1. We robustly measure the field-integrated ICM velocity dispersion to be σv = 169 ± 10 km s−1, obtaining similar results for both single-temperature and two-temperature plasma models to account for the cluster cool core. This result, if ascribed to isotropic turbulence, implies a subsonic ICM with Mach number M 3D ≈ 0.22 and a nonthermal pressure fraction of 2.6 ± 0.3%. The turbulent velocity is similar to what was measured in the core of the Perseus cluster by Hitomi, but here in a more massive cluster with an ICM temperature of 7 keV, the limit on the nonthermal pressure fraction is even more stringent. Our result is consistent with expectations from simulations of relaxed clusters, but it is on the low end of the predicted distribution, indicating that A2029 is an exceptionally relaxed cluster with no significant impacts from either a recent minor merger or active galactic nucleus activity.

Audard, Marc (ORCID:000000034721034X)↗
DOE OSTI2019

Pairfield fluctuations of a 2D Hubbard model

Abstract At temperatures above the superconducting transition temperature, the pairfield susceptibility provides information on the nature of the pairfield fluctuations. Here, we study the d -wave pairfield susceptibility of a 2D Hubbard model for a doping which has a pseudogap (PG) and for a doping which does not. In both cases, there will be a region of Kosterlitz–Thouless fluctuations as the transition at T KT is approached. Above this region, we find evidence for pairfield-order parameter-phase fluctuations for dopings with a PG and BCS Cooper pair fluctuations for dopings without a PG.

36 MATERIALS SCIENCE↗
DOE OSTI2015

STRUCTURAL CHANGES OF THE SUBLIMATION WALL IN PROTOPLANETARY DISKS DUE TO VARYING ACCRETION ILLUMINATION: A MECHANISM FOR RAPID INFRARED VARIABILITY

We study the changes in the sublimation wall structure due to variable illumination of a stellar hot spot on the dusty surroundings of a young star. The model includes the settling of large grains toward the disk midplane and the effect of the vertical density profile on the shaping of the sublimation wall. From a survey of objects in the young cluster IC 348, we extract three objects (LRLL 32, 40, and 63) that present typical variability in the [3.6] and [4.5] IRAC bands. We use the Spitzer photometry and ground-based 2–5 μm spectra for comparison with the models. Even though there is a correlation between accretion luminosity and dust emission based on the observations, we conclude from the modeling that the systems with lower mass accretion rates (LRLL 32 and 63) cannot be explained simply by a variable hot spot illuminating a sublimation wall. The observed variability amplitude for LRLL 40 (the system with the largest value of the mass accretion rate) can be obtained using the mechanism presented here. When considering a wide range of hot spot sizes and temperatures, the models can reproduce the infrared fluctuations seen in recent surveys, but only with accretion rate fluctuations that are orders of magnitude larger than is typically observed. These results highlight the relevance of accretion as a variability mechanism as well as its limitations in producing the full extent of the observed infrared variability.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Constitutive model development for isotropic materials

The objective is to develop a unified constitutive model for finite-element structural analysis of turbine engine hot section components. This effort constitutes a different approach for nonlinear finite-element computer codes which were heretofore based on classical inelastic methods. A unified constitutive theory will avoid the simplifying assumptions of classical theory and should more accurately represent the behavior of superalloy materials under cyclic loading conditions and high temperature environments. Model development will be directed toward isotropic, cast nickel-base alloys used for aircooled turbine blades and vanes. The contractor will select a base material for model development and an alternate material for verification purposes from a list of three alloys specified by NASA. The candidate alloys represent a cross-section of turbine blade and vane materials of interest to both large and small size engine manufacturers. Material stock for the base and alternate materials will be supplied to the Contractor by the government.

Kaufman, A.↗
DOE OSTI2019

Multi-region Modeling of Daily Global Solar Radiation with Artificial Intelligence Ensemble

Solar radiation data are crucial for the design and evaluation of solar energy systems, climatic studies, water resources management, estimating crop productivity, etc. As so, for locations where direct measurements are not available, reliable models may be developed to estimate solar radiation from more readily available data. In this study, two artificial intelligence (AI)-based models including artificial neural network and adaptive neuro-fuzzy inference systems, three temperature-based empirical models including Meza–Varas, Hargreaves–Samani, and Chen, and a conventional multi-linear regression (MLR) model were employed for multi-region daily global solar radiation estimation for Iraq. To ensure appropriate selection of input variables, sensitivity analysis was conducted to determine the dominant parameters. Finally, two ensemble approaches, neural average ensemble and simple average ensemble, were applied to improve the performance of the single models. For this purpose, daily meteorological data of maximum temperature (T{sub max}), minimum temperature (T{sub min}), mean temperature (T{sub mean}), relative humidity (R{sub H}), and wind speed (U{sub 2}) were obtained from January 2006 to December 2016 from four major cities in Iraq representing, north, west, south, and east regions. The results revealed that temperatures (T{sub max}, T{sub mean}, T{sub min}) and relative humidity are the dominant parameters. While temperature-based empirical models and MLR model could be employed to achieve reliable results, AI-based models are superior in performance to other models. Also promising improvement in daily global solar radiation modeling could be achieved by model ensemble. The results of this study affirmed that the provided ensemble approaches can increase the performance of single models up to 19.19%, 7.59%, and 16.81% in training, validation, and testing steps, respectively.

58 GEOSCIENCES↗
NASA NTRS1998

Doubled CO2 Effects on NO(y) in a Coupled 2D Model

Changes in temperature and ozone have been the main focus of studies of the stratospheric impact of doubled CO2. Increased CO2 is expected to cool the stratosphere, which will result in increases in stratospheric ozone through temperature dependent loss rates. Less attention has been paid to changes in minor constituents which affect the O3 balance and which may provide additional feedbacks. Stratospheric NO(y) fields calculated using the GSFC 2D interactive chemistry-radiation-dynamics model show significant sensitivity to the model CO2. Modeled upper stratospheric NO(y) decreases by about 15% in response to CO2 doubling, mainly due to the temperature decrease calculated to result from increased cooling. The abundance of atomic nitrogen, N, increases because the rate of the strongly temperature dependent reaction N + O2 yields NO + O decreases at lower temperatures. Increased N leads to an increase in the loss of NO(y) which is controlled by the reaction N + NO yields N2 + O. The NO(y) reduction is shown to be sensitive to the NO photolysis rate. The decrease in the O3 loss rate due to the NO(y) changes is significant when compared to the decrease in the O3 loss rate due to the temperature changes.

Rosenfield, J. E.↗
DOE OSTI2013

DETERMINING HEATING RATES IN RECONNECTION FORMED FLARE LOOPS OF THE M8.0 FLARE ON 2005 MAY 13

We analyze and model an M8.0 flare on 2005 May 13 observed by the Transition Region and Coronal Explorer and the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) to determine the energy release rate from magnetic reconnection that forms and heats numerous flare loops. The flare exhibits two ribbons in UV 1600 A emission. Analysis shows that the UV light curve at each flaring pixel rises impulsively within a few minutes, and decays slowly with a timescale longer than 10 minutes. Since the lower atmosphere (the transition region and chromosphere) responds to energy deposit nearly instantaneously, the rapid UV brightening is thought to reflect the energy release process in the newly formed flare loop rooted at the footpoint. In this paper, we utilize the spatially resolved (down to 1'') UV light curves and the thick-target hard X-ray emission to construct heating functions of a few thousand flare loops anchored at the UV footpoints, and compute plasma evolution in these loops using the enthalpy-based thermal evolution of loops model. The modeled coronal temperatures and densities of these flare loops are then used to calculate coronal radiation. The computed soft X-ray spectra and light curves compare favorably with those observed by RHESSI and by the Geostationary Operational Environmental Satellite X-ray Sensor. The time-dependent transition region differential emission measure for each loop during its decay phase is also computed with a simplified model and used to calculate the optically thin C IV line emission, which dominates the UV 1600 A bandpass during the flare. The computed C IV line emission decays at the same rate as observed. This study presents a method to constrain heating of reconnection-formed flare loops using all available observables independently, and provides insight into the physics of energy release and plasma heating during the flare. With this method, the lower limit of the total energy used to heat the flare loops in this event is estimated to be 1.22 Multiplication-Sign 10{sup 31} erg, of which only 1.9 Multiplication-Sign 10{sup 30} erg is carried by beam-driven upflows during the impulsive phase, suggesting that the coronal plasmas are predominantly heated in situ.

79 ASTRONOMY AND ASTROPHYSICS↗