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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23

Application of Modular Modeling System to Predict Evaporation, Infiltration, Air Temperature, and Soil Moisture

Models are used for numerous application including hydrology. The Modular Modeling System (MMS) is one of the few that can simulate a hydrology process. MMS was tested and used to compare infiltration, soil moisture, daily temperature, and potential and actual evaporation for the Elinsboro sandy loam soil and the Mattapex silty loam soil in the Microwave Radiometer Experiment of Soil Moisture Sensing at Beltsville Agriculture Research Test Site in Maryland. An input file for each location was created to nut the model. Graphs were plotted, and it was observed that the model gave a good representation for evaporation for both plots. In comparing the two plots, it was noted that infiltration and soil moisture tend to peak around the same time, temperature peaks in July and August and the peak evaporation was observed on September 15 and July 4 for the Elinsboro Mattapex plot respectively. MMS can be used successfully to predict hydrological processes as long as the proper input parameters are available.

Boggs, Johnny↗

First-Principles Study of n -Butane Monomolecular Cracking and Dehydrogenation on Two-Dimensional-Zeolite Model Systems: Reaction Mechanisms and Effects of Spatial Confinement

Two-dimensional (2D) ultrathin (~0.5 nm) aluminosilicate bilayer films, consisting of hexagonal prisms (a.k.a. double 6-membered rings D6R) with acidic bridging hydroxyl groups exposed on the surface, have been previously synthesized on a Ru(0001) surface as a zeolite model system. These structures are helpful for mimicking zeolite catalysts with D6R building blocks, such as chabazite. We performed density functional theory calculations to investigate the monomolecular cracking and dehydrogenation of n-butane molecules over the acidic hydroxyl groups of the 2D model system and compared the reaction energetics with that in bulk chabazite. The intrinsic activation energy barrier is the highest for dehydrogenation and lowest for central C–C bond cracking in bulk chabazite. The trend of intrinsic energy barriers for dehydrogenation and terminal and central C–C bond cracking is reproduced on the 2D aluminosilicate film. Overall, the activation barriers are higher on the 2D film than in bulk chabazite due to the lack of confinement in the former. We further explored the effects of the zeolite channel size on the n-butane adsorption and monomolecular cracking using different bulk nanoporous zeolite frameworks (TON, MEL, MEI, and VFI). We found that as the confinement of channels decreases, n-butane adsorption becomes weaker, and the intrinsic energy barrier of terminal C–C cracking increases. The activation energy barriers (dehydrogenation and terminal and central C–C cracking) on the 2D bilayer film surface, which may be considered as zeolite cages at the infinite cage size limit, are close to that in VFI with a relatively large channel size. Comparing the reaction pathway of n-butane terminal C–C cracking in 3D nanocages and on the surface of the 2D aluminosilicate film revealed that stabilizing the transition states in the 3D nanocages is responsible for the decrease in the intrinsic energy barriers for bulk zeolites.

36 MATERIALS SCIENCE↗

Dynamic systems modeling of the spallation neutron source cryogenic moderator system to optimize transient control and prepare for power upgrades

Through support of the US Department of Energy's Office of Basic Energy Sciences, Oak Ridge National Laboratory has begun applying machine learning methods to improve accelerator and target performance of the Spallation Neutron Source (SNS). These methods are being applied to the control optimization and power upgrade of the SNS Cryogenic Moderator System (CMS). A numerical model of the CMS has been developed to study these optimizations and system modifications using EcosimPro. This paper compares steady-state and transient numerical results with experimental data. Control optimization studies focused on dampening mass flow, temperature, and pressure fluctuations during sudden losses of accelerator beam power. This analysis was conducted by adjusting five proportional-integral-derivative controllers connected to four flow control valves and one heater. Future efforts include power uprate studies focused on increasing the CMS cooling capacity. The current accelerator power is 1.4 MW; the first target station is being upgraded to 2.0 MW as part of the Proton Power Upgrade effort. The CMS cooling capacity is sufficient for 2.0 MW operation.

47 OTHER INSTRUMENTATION↗

Historical global Earth System Model simulations with E3SM's dynamic root module

This data package contains global-scale Earth System Model simulations run with DOE's E3SM Model. The package includes one set of simulations run in the default configuration and a second set of simulations run with the dynamic root module enabled. These two datasets can be used to assess the impact that dynamic roots have on Land Surface fluxes such as carbon and water. The outputs are provided here on a 0.5 x 0.5 global grid at monthly resolution. The simulations were run with atmospheric forcing from the Global Soil Wetness Project. We provide specifically here Gross Primary Production, Transpiration, relative root fraction per soil layer as well as Air Temperature, Precipitation and all the parameterizations used for the simulations. Our purpose for generating and analyzing these simulations was to assess the role that root dynamics and foraging for water has in the recovery timescale of ecosystems following climate perturbation. All data provided are in the "netcdf" format using standard CF-1 (Climate and Forecast) Convention. The data are broken up into 20 year chunks to facilitate easier read-in. The data are all machine readable using various software platforms including Matlab, NCO, Panoply and GrADS.

54 ENVIRONMENTAL SCIENCES↗

Building a generalized distributed system model

A number of topics related to building a generalized distributed system model are discussed. The effects of distributed database modeling on evaluation of transaction rollbacks, the measurement of effects of distributed database models on transaction availability measures, and a performance analysis of static locking in replicated distributed database systems are covered.

Mukkamala, Ravi↗

gdess: A framework for evaluating simulated atmospheric CO 2 in Earth System Models

Atmospheric carbon dioxide (CO 2 ) plays a key role in the global carbon cycle and global warming. Climate-carbon feedbacks are often studied and estimated using Earth System Models (ESMs), which couple together multiple model components—including the atmosphere, ocean, terrestrial biosphere, and cryosphere—to jointly simulate mass and energy exchanges within and between these components. Despite tremendous advances, model intercomparisons and benchmarking are aspects of ESMs that warrant further improvement (Fer et al., 2021; Smith et al., 2014). Such benchmarking is critical because comparing the value of state variables in these simulations against observed values provides evidence for appropriately refining model components; moreover, researchers can learn much about Earth system dynamics in the process (Randall et al., 2019). We introduce `gdess` (a.k.a., Greenhouse gas Diagnostics for Earth System Simulations), which parses observational datasets and ESM simulation output, combines them to be in a consistent structure, computes statistical metrics, and generates diagnostic visualizations. In its current incarnation, `gdess` facilitates evaluating a model's ability to reproduce observed temporal and spatial variations of atmospheric CO 2 . The diagnostics implemented modularly in `gdess` support more rapid assessment and improvement of model-simulated global CO 2 sources and sinks associated with land and ocean ecosystem processes. We intend for this set of automated diagnostics to form an extensible, open source framework for future comparisons of simulated and observed concentrations of various greenhouse gases across Earth system models.

97 MATHEMATICS AND COMPUTING↗

A Three-Dimensional Variational Data Assimilation Scheme for the Regional Ocean Modeling System: Implementation and Basic Experiments

A three-dimensional variational data assimilation scheme for the Regional Ocean Modeling System (ROMS), named ROMS3DVAR, has been described in the work of Li et al. (2008). In this paper, ROMS3DVAR is applied to the central California coastal region, an area characterized by inhomogeneity and anisotropy, as well as by dynamically unbalanced flows. A method for estimating the model error variances from limited observations is presented, and the construction of the inhomogeneous and anisotropic error correlations based on the Kronecker product is demonstrated. A set of single observation experiments illustrates the inhomogeneous and anisotropic error correlations and weak dynamic constraints used. Results are presented from the assimilation of data gathered during the Autonomous Ocean Sampling Network (AOSN) experiment during August 2003. The results show that ROMS3DVAR is capable of reproducing complex flows associated with upwelling and relaxation, as well as the rapid transitions between them. Some difficulties encountered during the experiment are also discussed.

California coastal ocean↗

Evolutionary Development of the Simulation by Logical Modeling System (SIBYL)

Through the evolutionary development of the Simulation by Logical Modeling System (SIBYL) we have re-engineered the expensive and complex IBM mainframe based Long-term Hardware Projection Model (LHPM) to a robust cost-effective computer based mode that is easy to use. We achieved significant cost reductions and improved productivity in preparing long-term forecasts of Space Shuttle Main Engine (SSME) hardware. The LHPM for the SSME is a stochastic simulation model that projects the hardware requirements over 10 years. SIBYL is now the primary modeling tool for developing SSME logistics proposals and Program Operating Plan (POP) for NASA and divisional marketing studies.

Wu, Helen↗

The atmospheric effect of aerosols on future tropical cyclone frequency and precipitation in the Energy Exascale Earth System Model

This study uses experiments from the Energy Exascale Earth System Model (E3SM) to compare the influence on tropical cyclone (TC) activity of: (i) the atmospheric effect of aerosols under specified sea-surface temperatures (SSTs); and (ii) the net effect of greenhouse gases (GhGs) (including changes in SSTs). The experiments were performed using the CMIP6 Shared Socioeconomic Pathway SSP5-8.5 emissions scenario with GhG-induced SST warming specified and atmospheric aerosol effects simulated but without explicit ocean coupling. Insignificant changes in global TC frequency are found in response to the atmospheric effect of future aerosols and GhGs, as significant regional responses in TC frequency counteract each other. Future GhGs contribute to more frequent TCs in the North Atlantic, and reductions over the Northwestern Pacific and Southern Indian Ocean. The atmospheric effect of future aerosols drives more frequent TCs over the Northwestern Pacific and reductions over the Northeast Pacific and North Atlantic. Along with increases in TC intensity, global TC precipitation (TCP) is projected to increase by 52.8% (14.1%/K) due to the combined effect of future aerosols and GhGs. Although both forcings contribute to TCP increases (14.7–19.3% from reduced aerosols alone and 28.1–33.3% from increased GhGs alone), they lead to different responses in the spatial structure of TCP. TCP increases preferentially in the inner-core due to increased GhGs, whereas TCP decreases in the inner-core and increases in the outer-bands in response to the atmospheric effects of decreased aerosols. These changes are distinct from those caused by aerosol-induced SST changes, which have been considered in other studies.

54 ENVIRONMENTAL SCIENCES↗

A Multilayer Reservoir Thermal Stratification Module for Earth System Models

Thermal stratification in reservoirs is a critical process that regulates downstream riverine energy and biogeochemical cycling. Current stratification models either simplify reservoir geometry or neglecting the effects of reservoir operation. Here we present a new multi-layer reservoir stratification model that can be coupled to earth system models at regional or global scale. With a multi-layer vertical discretization, we introduce a newly developed storage-area-depth dataset to improve parameterization of advection processes in and out of the reservoir. The new model better represents vertical temperature gradient and subsequently temperature of water released to downstream. The stratification model is applied to 1400 reservoirs over the contiguous US and validated against observed surface, profile, and outflow temperature data over 130 reservoirs subjected to various levels of regulation. The Nash-Sutcliffe values are higher than 0.5 for about 77% of the validated reservoirs using surface temperature while the average values of root mean square error and bias are 3.6oC and -1.1oC, respectively. Using the new reservoir storage-area-depth dataset improves the simulation of surface temperature at over 69% of the validated reservoirs compared to using simplified reservoir geometry. The reservoir stratification model contributes to improving predictive understanding of anthropogenic impact on terrestrial hydrological, ecological and biogeochemical cycles.

Yigzaw, Wondmagegn↗

The Community Earth System Model version 2 (CESM2)

An overview of the Community Earth System Model version 2 (CESM2) is provided, including a discussion of the challenges encountered during its development and how they were addressed. In addition, an evaluation of a pair of CESM2 long pre-industrial control and historical ensemble simulations is presented. These simulations were performed using the nominal 1° horizontal resolution configuration of the coupled model with both the “low-top” (40 km, with limited chemistry) and “high-top” (140 km, with comprehensive chemistry) versions of the atmospheric component. CESM2 contains many substantial science and infrastructure improvements and new capabilities since its previous major release, CESM1, resulting in improved historical simulations in comparison to CESM1 and available observations. These include major reductions in low latitude precipitation and short-wave cloud forcing biases; better representation of the Madden-Julian Oscillation; better El Niño – Southern Oscillation-related teleconnections; and a global land carbon accumulation trend that agrees well with observationally-based estimates. Most tropospheric and surface features of the low- and high-top simulations are very similar to each other, so these improvements are present in both configurations. CESM2 has an equilibrium climate sensitivity of 5.1-5.3°C, larger than in CESM1, primarily due to a combination of relatively small changes to cloud microphysics and boundary layer parameters. In contrast, CESM2’s transient climate response of 1.9-2.0°C is comparable to that of CESM1. The model outputs from these and many other simulations are available to the research community, and theyrepresent CESM2’s contributions to the Coupled Model Intercomparison Project phase 6 (CMIP6).

Danabasoglu, Gokhan↗

Is land use producing robust signals in future projections from Earth system models, all else being equal?

Abstract We use six Earth system models (ESMs) run under SSP3-7.0, a scenario characterized by a relatively large land use change (LUC) over the 21st century, and under a variant of the same scenario where a significantly different pattern of LUC, taken from SSP1-2.6, was used, all else being equal. Our goal is to identify changes in climate extremes between the two scenarios that are statistically significant and robust across the ESMs. The motivation for this study is to test a long-held assumption of the shared socio-economic pathway-representative concentration pathway (SSP-RCP) scenario framework: that the signal from LUC can be safely disregarded when pairing different SSPs to the compatible RCPs, where compatibility only considers global radiative forcing, predominantly determined by well-mixed greenhouse gasses emissions. We analyze extremes of daily minimum and maximum temperatures and precipitation, after fitting non-stationary generalized extreme value distributions in a way that borrows strength along the length of the simulation (2015–2100) and across initial condition ensembles. We consider changes in the 20 year return levels (RL20s) of these metrics by 2100, and focus on eight locations where LUC is large within each scenario, and strongly differs between scenarios, averaging the RL20s over a neighborhood characterized by the same LUC to enhance the signal to noise. We find that precipitation extremes do not show significant differences attributable to LUC differences. For temperature extremes (cold and hot) results are mixed, with some location-index combination showing significant results for some of the ESMs but not all, and not many coherent changes appearing for indices across regions, or regions across indices. These ESMs are representative of what is typically adopted as the source of climate information for impact studies, when the SSP-RCP framework is put to use. Overall, our analysis suggests that the hypothesis to pair SSPs to RCPs in a flexible fashion is overall defensible. However, the appearance of some coherence in a few locations and for some indices invites further investigation.

54 ENVIRONMENTAL SCIENCES↗

Leaf respiration ( GlobResp ) - global trait database supports Earth System Models

Here we detail how Atkin and his colleagues compiled a global database (GlobResp) that details rates of leaf dark respiration and associated traits from sites that span Arctic tundra to tropical forests. This compilation builds upon earlier research (Reich et al., 1998; Wright et al., 2006) and was supplemented by recent field campaigns and unpublished data.In keeping with other trait databases, GlobResp provides insights on how physiological traits, especially rates of dark respiration, vary as a function of environment and how that variation can be used to inform terrestrial biosphere models and land surface components of Earth System Models. Although an important component of plant and ecosystem carbon (C) budgets (Wythers et al., 2013), respiration has only limited representation in models. Seen through the eyes of a plant scientist, Atkin et al. (2015) give readers a unique perspective on the climatic controls on respiration, thermal acclimation and evolutionary adaptation of dark respiration, and insights into the covariation of respiration with other leaf traits. We find there is ample evidence that once large databases are compiled, like GlobResp, they can reveal new knowledge of plant function and provide a valuable resource for hypothesis testing and model development.

54 ENVIRONMENTAL SCIENCES↗

Final Report: Modeling coupled ice sheet-ocean interactions in the Model for Prediction Across Scales (MPAS) and in DOE Earth System Models

Ice sheet-ocean interactions are involved in a potential climate tipping point in the climate system. Weakening of dynamical ocean barriers that currently hold warmer waters off the Antarctic continental shelf could lead to warming under Antarctica’s largest ice shelves, causing as much as a hundredfold increase in sub-ice-shelf melting. Increased ice-sheet melting could trigger dynamical instabilities in the ice sheet itself if sufficient buttressing from ice shelves is lost. This project developed and tested several modeling capabilities needed to investigate these phenomena. In collaboration with a number of international groups, notably the climate modeling group at Los Alamos National Laboratory (LANL), the following capabilities were added to the Energy Exascale Earth System Model (E3SM) and its ocean component (the Model for Prediction Across Scales Ocean, MPAS-Ocean): 1) a new vertical coordinate appropriate for ice-shelf cavities; 2) an initialization procedure appropriate for damping waves from imbalances in ocean pressure and that of the overlying ice shelf; 3) A suite of idealized test cases related to ice shelf-ocean interactions; 4) A set of diagnostics for tracking freshwater fluxes and heat budgets from ice-shelf melting; 5) infrastructure for computing ice sheet-ocean fluxes in the E3SM coupler; and 6) A set of analysis and visualization tools for E3SM ocean and sea-ice validation with a particular focus on Antarctic and Southern Ocean climate. Additionally, the project included participation and leadership in a number of international model intercomparison projects (MIPs). Most notably, the PI was a co-chair of the Marine Ice Sheet-Ocean Model Intercomparison Project (MISOMIP), designing the experiment, coordinating participation in the MIP and performing the bulk of the analysis. Although the project was cut short when the PI accepted a staff scientist position at LANL, the project played a role in seven publications and has segued smoothly into ongoing Department of Energy projects in the “ecosystem” surrounding E3SM.

54 ENVIRONMENTAL SCIENCES↗

Identification of a second-order mechanical system model from a state space realization

Many system identification algorithms produce models in modern state variable form. When a mechanical system is identified one knows that there must be a model in second order form. In structural dynamics one is interested in either a modal model of the system, or in a model including a mass matrix, stiffness matrix and a damping matrix. In this paper, algorithms are developed that convert a modern state space realization into the above two representations of interest in mechanical systems. The algorithm can be used with any identification methods that produce a modern state variable representation such as the Eigensystem Realization Algorithm (ERA), its modified version by data correlation (ERA/DC), and combinations of these with Observer/Kalman Filter Identification (OKID). An algorithm is developed that allows one to identify the damping matrix in a model representation, so that one determines how near to modal the damping is in the system, and can therefore understand the degree to which the modes are coupled by the damping in the system. A second algorithm produced the mass, damping, and stiffness matrices, given the input and output matrices. It is assumed that the number of sensors (or the number of actuators) is greater than or equal to the number of modes in the system, and it is proved that this is a necessary condition to be able to uniquely identify these matrices. Experience with examples suggests that a singular value truncation involved in these algorithms can help one determine the true system order. This truncation has the benefit of knowledge of the correct form for a mechanical system model, which is not present in the modern control identification algorithm.

Tseng, Dong-Huei↗

Distribution system model calibration with big data from AMI and PV inverters

Efficient management and coordination of distributed energy resources with advanced automation schemes requires accurate distribution system modeling and monitoring. Big data from smart meters and photovoltaic (PV) micro-inverters can be leveraged to calibrate existing utility models. This paper presents computationally efficient distribution system parameter estimation algorithms to improve the accuracy of existing utility feeder radial secondary circuit model parameters. The method is demonstrated using a real utility feeder model with advanced metering infrastructure (AMI) and PV micro-inverters, along with alternative parameter estimation approaches that can be used to improve secondary circuit models when limited measurement data is available. Lastly, the parameter estimation accuracy is demonstrated for both a three-phase test circuit with typical secondary circuit topologies and single-phase secondary circuits in a real mixed-phase test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Plant Physiology Increases the Magnitude and Spread of the Transient Climate Response to CO 2 in CMIP6 Earth System Models

Increasing concentrations of CO 2 in the atmosphere influence climate both through CO 2 ’s role as a greenhouse gas and through its impact on plants. Plants respond to atmospheric CO 2 concentrations in several ways that can alter surface energy and water fluxes and thus surface climate, including changes in stomatal conductance, water use, and canopy leaf area. These plant physiological responses are already embedded in most Earth system models, and a robust literature demonstrates that they can affect global-scale temperature. However, the physiological contribution to transient warming has yet to be assessed systematically in Earth system models. Here this gap is addressed using carbon cycle simulations from phases 5 and 6 of the Coupled Model Intercomparison Project (CMIP) to isolate the radiative and physiological contributions to the transient climate response (TCR), which is defined as the change in globally averaged near-surface air temperature during the 20-yr window centered on the time of CO 2 doubling relative to preindustrial CO 2 concentrations. In CMIP6 models, the physiological effect contributes 0.12°C ( σ : 0.09°C; range: 0.02°–0.29°C) of warming to the TCR, corresponding to 6.1% of the full TCR ( σ : 3.8%; range: 1.4%–13.9%). Moreover, variation in the physiological contribution to the TCR across models contributes disproportionately more to the intermodel spread of TCR estimates than it does to the mean. The largest contribution of plant physiology to CO 2 -forced warming—and the intermodel spread in warming—occurs over land, especially in forested regions.

54 ENVIRONMENTAL SCIENCES↗