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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Towards improved parameterization of a macroscale hydrologic model in a discontinuous permafrost boreal forest ecosystem

Modeling hydrological processes in the Alaskan sub-arctic is challenging because of the extreme spatial heterogeneity in soil properties and vegetation communities. Nevertheless, modeling and predicting hydrological processes is critical in this region due to its vulnerability to the effects of climate change. Coarse-spatial-resolution datasets used in land surface modeling pose a new challenge in simulating the spatially distributed and basin-integrated processes since these datasets do not adequately represent the small-scale hydrological, thermal, and ecological heterogeneity. The goal of this study is to improve the prediction capacity of mesoscale to large-scale hydrological models by introducing a small-scale parameterization scheme, which better represents the spatial heterogeneity of soil properties and vegetation cover in the Alaskan sub-arctic. The small-scale parameterization schemes are derived from observations and a sub-grid parameterization method in the two contrasting sub-basins of the Caribou Poker Creek Research Watershed (CPCRW) in Interior Alaska: one nearly permafrost-free (LowP) sub-basin and one permafrost-dominated (HighP) sub-basin. The sub-grid parameterization method used in the small-scale parameterization scheme is derived from the watershed topography. We found that observed soil thermal and hydraulic properties – including the distribution of permafrost and vegetation cover heterogeneity – are better represented in the sub-grid parameterization method than the coarse-resolution datasets. Parameters derived from the coarse-resolution datasets and from the sub-grid parameterization method are implemented into the variable infiltration capacity (VIC) mesoscale hydrological model to simulate runoff, evapotranspiration (ET), and soil moisture in the two sub-basins of the CPCRW. Simulated hydrographs based on the small-scale parameterization capture most of the peak and low flows, with similar accuracy in both sub-basins, compared to simulated hydrographs based on the coarse-resolution datasets. On average, the small-scale parameterization scheme improves the total runoff simulation by up to 50 % in the LowP sub-basin and by up to 10 % in the HighP sub-basin from the large-scale parameterization. This study shows that the proposed sub-grid parameterization method can be used to improve the performance of mesoscale hydrological models in the Alaskan sub-arctic watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Capturing the dynamic response of a material under high strain-rate deformation often demands challenging and time consuming experimental effort. While shock hydrodynamic simulation methods can aid in this area, a priori characterizations of the material strength under shock loading and spall failure are needed in order to parameterize constitutive models needed for these computational tools. Moreover, parameterizations of strain-rate-dependent strength models are needed to capture the full suite of Richtmyer–Meshkov instability (RMI) behavior of shock compressed metals, creating an unrealistic demand for these training data solely on experiments. Herein, we sweep a large range of geometric, crystallographic, and shock conditions within molecular dynamics (MD) simulations and demonstrate the breadth of RMI in Cu that can be captured from the atomic scale. In this work, yield strength measurements from jetted and arrested material from a sinusoidal surface perturbation were quantified as Y RMI = 0.787 ± 0.374 GPa, higher than strain-rate-independent models used in experimentally matched hydrodynamic simulations. Defect-free, single-crystal Cu samples used in MD will overestimate Y RMI , but the drastic scale difference between experiment and MD is highlighted by high confidence neighborhood clustering predictions of RMI characterizations, yielding incorrect classifications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Investigation of Aerosol Indirect Effects using a Cumulus Microphysics Parameterization in a Regional Climate Model

A new Zhang and McFarlane (ZM) cumulus scheme includes a two-moment cloud microphysics parameterization for convective clouds. This allows aerosol effects to be investigated more comprehensively by linking aerosols with microphysical processes in both stratiform clouds that are explicitly resolved and convective clouds that are parameterized in climate models. This new scheme is implemented in the Weather Research and Forecasting (WRF) model, which is coupled with the physics and aerosol packages from the Community Atmospheric Model version 5 (CAM5). A test case of July 2008 during the East Asian summer monsoon is selected to evaluate the performance of the new ZM scheme and to investigate aerosol effects on monsoon precipitation. The precipitation and radiative fluxes simulated by the new ZM scheme show a better agreement with observations compared to simulations with the original ZM scheme that does not include convective cloud microphysics and aerosol convective cloud interactions. Detailed analysis suggests that an increase in detrained cloud water and ice mass by the new ZM scheme is responsible for this improvement. To investigate precipitation response to increased anthropogenic aerosols, a sensitivity experiment is performed that mimics a clean environment by reducing the primary aerosols and anthropogenic emissions to 30% of that used in the control simulation of a polluted environment. The simulated surface precipitation is reduced by 9.8% from clean to polluted environment and the reduction is less significant when microphysics processes are excluded from the cumulus clouds. Ensemble experiments with ten members under each condition (i.e., clean and polluted) indicate similar response of the monsoon precipitation to increasing aerosols.

aerosol indirect effects↗
DOE OSTI2018

Anthropogenic influences on major tropical cyclone events

There is no consensus on whether climate change has yet affected the statistics of tropical cyclones, owing to their large natural variability and the limited period of consistent observations. In addition, projections of future tropical cyclone activity are uncertain, because they often rely on coarse-resolution climate models that parameterize convection and hence have difficulty in directly representing tropical cyclones. Here we used convection-permitting regional climate model simulations to investigate whether and how recent destructive tropical cyclones would change if these events had occurred in pre-industrial and in future climates. We found that, relative to pre-industrial conditions, climate change so far has enhanced the average and extreme rainfall of hurricanes Katrina, Irma and Maria, but did not change tropical cyclone wind-speed intensity. In addition, future anthropogenic warming would robustly increase the wind speed and rainfall of 11 of 13 intense tropical cyclones (of 15 events sampled globally). Additional regional climate model simulations suggest that convective parameterization introduces minimal uncertainty into the sign of projected changes in tropical cyclone intensity and rainfall, which allows us to have confidence in projections from global models with parameterized convection and resolution fine enough to include tropical cyclones.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Improving representation of convective transport for scale‐aware parameterization: 2. Analysis of cloud‐resolving model simulations

Abstract Following Part I, in which 3‐D cloud‐resolving model (CRM) simulations of a squall line and mesoscale convective complex in the midlatitude continental and the tropical regions are conducted and evaluated, we examine the scale dependence of eddy transport of water vapor, evaluate different eddy transport formulations, and improve the representation of convective transport across all scales by proposing a new formulation that more accurately represents the CRM‐calculated eddy flux. CRM results show that there are strong grid‐spacing dependencies of updraft and downdraft fractions regardless of altitudes, cloud life stage, and geographical location. As for the eddy transport of water vapor, updraft eddy flux is a major contributor to total eddy flux in the lower and middle troposphere. However, downdraft eddy transport can be as large as updraft eddy transport in the lower atmosphere especially at the mature stage of midlatitude continental convection. We show that the single‐updraft approach significantly underestimates updraft eddy transport of water vapor because it fails to account for the large internal variability of updrafts, while a single downdraft represents the downdraft eddy transport of water vapor well. We find that using as few as three updrafts can account for the internal variability of updrafts well. Based on the evaluation with the CRM simulated data, we recommend a simplified eddy transport formulation that considers three updrafts and one downdraft. Such formulation is similar to the conventional one but much more accurately represents CRM‐simulated eddy flux across all grid scales.

Liu, Yi‐Chin↗
DOE OSTI2019

Sensitivity of Simulated Deep Convection to a Stochastic Ice Microphysics Framework

Ice microphysics parameterizations in models must make major simplifications relative to observations, typically employing empirical relationships to represent average functional properties of particles. However, previous studies have established that ice particle properties vary even in similar cloud types and thermodynamic environments, and it remains unclear how this so-called “natural variability” impacts simulated deep convection. This uncertainty is addressed by implementing a stochastic framework into the Predicted Particle Properties microphysics scheme in the Weather Research and Forecasting model. The approach stochastically varies the coefficients of the mass-size (m-D) relationship (m=aD b ) for unrimed and partially rimed ice. Using guidance from aircraft in situ measurements obtained during the Midlatitude Continental Convective Clouds Experiment (MC3E), the scheme samples from distributions of the prefactor (a) and the exponent (b) of the m-D relationship. Simulations of two MC3E deep convective cases indicate that the stochastic m-D scheme produces considerable variability of anvil cirrus cloud optical depth (τ) distributions, even for the same ice water path (IWP). Thus, the stochastic scheme produces variable cloud radiative forcing that is independent of IWP. This τ-IWP relationship variability is nonexistent using the deterministic m-D ensemble. Additional sensitivity tests are performed in which the fallspeed-size relationship (V=cD d ) is stochastically varied, resulting in variable precipitation amounts and rain rate distributions. Results are presented in the context of satellite and precipitation observations and include comparison with other ensemble configurations using perturbed initial and lateral boundary conditions and small-amplitude noise added to the potential temperature field.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of the Grell-Freitas Deep Convection Scheme in Quasi-Uniform and Variable-Resolution Aquaplanet CAM Simulations

The Grell-Freitas deep convection scheme (GF) has been implemented in the Community Atmosphere Model (CAM) with the nonhydrostatic Model for Prediction Across Scales (MPAS) dynamical core. Aquaplanet simulations have been performed with a global quasi-uniform resolution mesh with ~120 km grid spacing and a variable resolution mesh employing a circular refined region with ~30 km grid spacing centering at the equator and ~120 km elsewhere. GF produces overall patterns of the general circulations comparable to those of other aquaplanet experiments, including those produced using the default Zhang-McFarlane convection scheme (ZM) in CAM Version 5.4. GF alleviates the overestimated occurrence of weak intensity precipitation characteristic of ZM due to GF’s different closure methods and deep-convection trigger conditions. Compared to ZM, the GF characteristics of the equatorial Kelvin waves are closer to observations. GF also better simulates precipitation at variable resolution, with no unrealistic wave distortion by the refinement. Overall, GF shows less sensitivity of convective precipitation and heating/moistening tendencies to changes in horizontal resolution compared to ZM. However, vertically-overlapped total cloud fraction simulated with GF in the tropics is more sensitive to the resolution than ZM due to the larger resolution-sensitivity of high-level cloud fraction in the tropics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Overcoming ammonia synthesis scaling relations with plasma-enabled catalysis

Correlations between the energies of elementary steps limit the rates of thermally catalysed reactions at surfaces. Here, we show how these limitations can be circumvented in ammonia synthesis by coupling catalysts to a non-thermal plasma. We postulate that plasma-induced vibrational excitations in N 2 decrease dissociation barriers without influencing subsequent reaction steps. We develop a density-functional-theory-based microkinetic model to incorporate this effect, and parameterize the model using N 2 vibrational excitations observed in a dielectric-barrier-discharge plasma. We predict plasma enhancement to be particularly great on metals that bind nitrogen too weakly to be active thermally. Ammonia synthesis rates observed in a dielectric-barrier-discharge plasma reactor are consistent with predicted enhancements and predicted changes in the optimal metal catalyst. The results provide guidance for optimizing catalysts for application with plasmas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Solution of the comoving-frame equation of transfer in spherically symmetric flows. V - Multilevel atoms

The coupled radiative transfer and statistical equilibrium equations for multilevel ionic structures in the atmospheres of early-type stars are solved. Both lines and continua are treated consistently; the treatment is applicable throughout a transonic wind, and allows for the presence of background continuum sources and sinks in the transfer. An equivalent-two-level-atoms approach provides the solution for the equations. Calculations for simplified He (+)-like model atoms in parameterized isothermal wind models indicate that subordinate line profiles are sensitive to the assumed mass-loss rate, and to the assumed structure of the velocity law in the atmospheres.

Mihalas, D.↗
NASA NTRS1981

Modeling the terrestrial hydrology for the global atmosphere - The future role of satellite data

A global terrestrial hydrology model has been developed for the transport and storage of moisture and heat in the ground surface layer where the hydrological parameters react to diurnal and seasonal changes in the atmosphere. The spatial and temporal variability of land surface features is considered in the model by means of large scale parameterizations. The model can be either forced by the atmosphere using conventional meteorological data or coupled to an atmospheric general circulation model (GCM) for interactive studies. The global surface is divided into 4 deg longitude by 5 deg latitude cells while the ground is represented by a thin surface layer, a bulk layer (the root zone), and a deep layer (the ground water zone). Results are presented from a seven-day global experiment which was conducted utilizing the GLAS GCM (NASA Goddard Laboratory for Atmospheric Sciences). The model has demonstrated its capability to predict, over a large region, the overall soil moisture storage and major flux exchanges with the atmosphere above and the ground water below.

Lin, J. D.↗
NASA NTRS2000

Top-of-Atmosphere Albedo Estimation from Angular Distribution Models using Scene Identification from Satellite Cloud Property Retrievals

The next generation of Earth radiation budget satellite instruments will routinely merge estimates of global top-of-atmosphere radiative fluxes with cloud properties. This information will offer many new opportunities for validating radiative transfer models and cloud parameterizations in climate models. In this study, five months of POLarization and Directionality of the Earth's Reflectances (POLDER) 670 nm radiance measurements are considered in order to examine how satellite cloud property retrievals can be used to define empirical Angular Distribution Models (ADMs) for estimating top-of-atmosphere (TOA) albedo. ADMs are defined for 19 scene types defined by satellite retrievals of cloud fraction and cloud optical depth. Two approaches are used to define the ADM scene types: The first assumes there are no biases in the retrieved cloud properties and defines ADMs for fixed discrete intervals of cloud fraction and cloud optical depth (fixed-tau approach). The second approach involves the same cloud fraction intervals, but uses percentile intervals of cloud optical depth instead (percentile-tau approach). Albedos generated using these methods are compared with albedos inferred directly from the mean observed reflectance field. Albedos based on ADMs that assume cloud properties are unbiased (fixed-tau approach) show a strong systematic dependence on viewing geometry. This dependence becomes more pronounced with increasing solar zenith angle, reaching approximately equals 12% (relative) between near-nadir and oblique viewing zenith angles for solar zenith angles between 60 deg and 70 deg. The cause for this bias is shown to be due to biases in the cloud optical depth retrievals. In contrast, albedos based on ADMs built using percentile intervals of cloud optical depth (percentile-tau approach) show very little viewing zenith angle dependence and are in good agreement with albedos obtained by direct integration of the mean observed reflectance field (less than 1% relative error). When the ADMs are applied separately to populations consisting of only liquid water and ice clouds, significant biases in albedo with viewing geometry are observed (particularly at low sun elevations), highlighting the need to account for cloud phase both in cloud optical depth retrievals and in defining ADM scene types. ADM-derived monthly mean albedos determined for all 5 deg x 5 deg latitude/longitude regions over ocean are in good agreement (regional RMS relative errors less than 2%) with those obtained by direct integration when ADM albedos inferred from specific angular bins are averaged together. Albedos inferred from near-nadir and oblique viewing zenith angles are the least accurate, with regional RMS errors reaching approximately 5-10% (relative). Compared to an earlier study involving ERBE ADMs, regional mean albedos based on the 19 scene types considered here show a factor of 4 reduction in bias error and a factor of 3 reduction in RMS error.

Loeb, N. G.↗
DOE OSTI2023

Soil Respiration Responses to Throughfall Exclusion Are Decoupled From Changes in Soil Moisture for Four Tropical Forests, Suggesting Processes for Ecosystem Models

Abstract Climatic drying is predicted for many tropical forests yet models remain poorly parameterized for these ecosystems, hampering predictions of forest‐climate interactions. We applied an integrated model–experiment approach, parameterizing an ecosystem model with tropical forest observational data and comparing model predictions to a field drying manipulation. We hypothesized that drying suppresses soil CO 2 fluxes (i.e., respiration) in relatively dry tropical forests but increases CO 2 fluxes in wetter tropical forests by alleviating anaerobiosis. We measured soil CO 2 fluxes during wet‐dry cycles from 2015 to 2022 in four Panamanian forests that vary in rainfall and soil fertility. Measured soil CO 2 fluxes declined in the dry season and peaked in the early wet season ahead of peak soil moisture, resulting in lower soil moisture optima for respiration than previously modeled. We then parameterized the model using field data and the new moisture‐respiration response functions. The updated model predicted increased soil CO 2 fluxes with drying in wetter and fertile forests and suppressed fluxes in drier, infertile forests. In contrast to model predictions, a chronic throughfall exclusion experiment initially suppressed soil respiration across forests, with sustained suppression for four years in the wettest forest only (−28% ± 4% during the dry season). In the fertile forest, drying eventually elevated CO 2 fluxes over this period (+75% ± 28% during the late wet season). The unexpected negative drying effect in the wettest, infertile forest could have resulted from reduced vertical flushing of nutrients into soils. Including hydro‐nutrient interactions in ecosystem models could improve predictions of tropical forest‐climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Thermo4PFM: Facilitating Phase-field simulations of alloys with thermodynamic driving forces

Phase-field modeling is a popular front-tracking approach used to model solidification. Its time-evolution equations are often coupled to alloy composition and/or thermal diffusion in high-resolution multiphysics approaches. Materials thermodynamic properties tabulated in CALPHAD databases can be used for phase-field modeling to parameterize bulk energies of alloys. In addition, they can be naturally integrated into models such as the Kim-Kim-Suzuki (KKS) model where driving forces depend on the differences between chemical potentials of co-existing phases. In that case, a small system of coupled nonlinear equations needs to be solved at every point in space where the phase-field order parameter is to be updated and evolved in time. Here we present Thermo4PFM, a solver for the KKS equations for binary and ternary alloys, with two or three phases, and parameterized with CALPHAD models. Thermo4PFM is open source, written in C++, and can take advantage of Graphics Processing Units (GPU) accelerators. Using OpenMP offload capabilities for C++ classes, an excellent performance is demonstrated on GPU using the LLVM compiler. CALPHAD data is read from simple JSON files using an open source parser from the boost library.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Queueing models for token and slotted ring networks

Currently the end-to-end delay characteristics of very high speed local area networks are not well understood. The transmission speed of computer networks is increasing, and local area networks especially are finding increasing use in real time systems. Ring networks operation is generally well understood for both token rings and slotted rings. There is, however, a severe lack of queueing models for high layer operation. There are several factors which contribute to the processing delay of a packet, as opposed to the transmission delay, e.g., packet priority, its length, the user load, the processor load, the use of priority preemption, the use of preemption at packet reception, the number of processors, the number of protocol processing layers, the speed of each processor, and queue length limitations. Currently existing medium access queueing models are extended by adding modeling techniques which will handle exhaustive limited service both with and without priority traffic, and modeling capabilities are extended into the upper layers of the OSI model. Some of the model are parameterized solution methods, since it is shown that certain models do not exist as parameterized solutions, but rather as solution methods.

Peden, Jeffery H.↗
DOE OSTI2024

Parameterization of vacancy production rate in phase-field models of fission gas bubble evolution in nuclear fuel

Phase-field modeling has increasingly been used to study microstructural evolution in fission gas bubbles in nuclear fuel to improve understanding of fission gas release. To improve computational efficiency, often only vacancies and gas atoms are included as defect species. In this case, the net effects of vacancy and interstitial production, recombination, and biased sink absorption are included as a net vacancy source, or net vacancy source combined with an effective sink. However, there has been a lack of clarity on what parameter values should be used for these approaches to best match the more complete physical picture that includes interstitials and vacancies. Here, we compare a phase-field model of void growth to analytical models for the source-only and source plus sink approach to gain insight into how the phase-field models can be parameterized effectively. The source-only approach provides greater flexibility to match growth rates determined from the full vacancy-interstitial picture. A strategy was developed for determining the value of the net vacancy source term by comparing to an analytical model that includes vacancy and interstitial production, recombination, and biased sink absorption. Finally, this strategy can be used to parameterize phase-field models of fission gas bubble growth.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Impact analysis of DERs on bulk power system stability through the parameterization of aggregated DER_a model for real feeders

With an ever increasing percentage of distributed energy resources (DERs) connected behind the meter in the distribution system, it is becoming increasingly important to equip transmission planners with the visibility of DER dynamic performance in distribution system. Not having visibility of the disconnection of DERs with the occurrence of transmission events, could result in an erroneous view of the stability of bulk power system. Here, in this paper, a parameterized aggregated model (DER_a) serves as a representation of the distribution-level dynamics of real residential feeders, which is used for analysis of bulk power system stability. The parameters are obtained by executing dynamic Monte Carlo simulations. Faults are then induced at the substation level causing the DERs to trip which subsequently enables the parameterization of the low and high voltage breakpoints (v l0 , v l1 , v h0 , and v h1 ) of the DER_a model’s partial voltage trip block. These parameters are then utilized to study the effectiveness of the DER_a model to represent the behavior of the aggregated DERs’ response and their impact on the bulk power system. The case study shows the ability of the positive-sequence DER_a model to provide an accurate estimation of DERs that are susceptible to trip due to 3-$\phi$ and 1-$\phi$ faults of transmission.

14 SOLAR ENERGY↗
DOE OSTI2015

Development of a physiologically based pharmacokinetic model for assessment of human exposure to bisphenol A

A previously developed physiologically based pharmacokinetic (PBPK) model for bisphenol A (BPA) in adult rhesus monkeys was modified to characterize the pharmacokinetics of BPA and its phase II conjugates in adult humans following oral ingestion. Coupled with in vitro studies on BPA metabolism in the liver and the small intestine, the PBPK model was parameterized using oral pharmacokinetic data with deuterated-BPA (d{sub 6}-BPA) delivered in cookies to adult humans after overnight fasting. The availability of the serum concentration time course of unconjugated d{sub 6}-BPA offered direct empirical evidence for the calibration of BPA model parameters. The recalibrated PBPK adult human model for BPA was then evaluated against published human pharmacokinetic studies with BPA. A hypothesis of decreased oral uptake was needed to account for the reduced peak levels observed in adult humans, where d{sub 6}-BPA was delivered in soup and food was provided prior to BPA ingestion, suggesting the potential impact of dosing vehicles and/or fasting on BPA disposition. With the incorporation of Monte Carlo analysis, the recalibrated adult human model was used to address the inter-individual variability in the internal dose metrics of BPA for the U.S. general population. Model-predicted peak BPA serum levels were in the range of pM, with 95% of human variability falling within an order of magnitude. This recalibrated PBPK model for BPA in adult humans provides a scientific basis for assessing human exposure to BPA that can serve to minimize uncertainties incurred during extrapolations across doses and species. - Highlights: • A PBPK model predicts the kinetics of bisphenol A (BPA) in adult humans. • Serum concentrations of aglycone BPA are available for model calibration. • Model predicted peak BPA serum levels for adult humans were in the range of pM. • Model predicted 95% of human variability fell within an order of magnitude.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1993

Regional tectonic analysis of Venus equatorial highlands and comparison with Earth-based Magellan radar images

Research on regional tectonic analysis of Venus equatorial highlands and comparison with earth-based and Magellan radar images is presented. Over the past two years, the tectonic analysis of Venus performed centered on global properties of the planet, in order to understand fundamental aspects of the dynamics of the mantle and lithosphere of Venus. These include studies pertaining to the original constitutive and thermal character of the planet, as well as the evolution of Venus through time, and the present day tectonics. Parameterized convection models of the Earth and Venus were developed. The parameterized convection code was reformulated to model Venus with an initially hydrous mantle to determine how the cold-trap could affect the evolution of the planet.

Williams, David R.↗