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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

The Transition of High-Resolution NASA MODIS Sea Surface Temperatures into the WRF Environmental Modeling System

The NASA Short-term Prediction Research and Transition (SPoRT) Center has developed a Moderate Resolution Imaging Spectroradiometer (MODIS) sea surface temperature (SST) composite at 2-km resolution that has been implemented in version 3 of the National Weather Service (NWS) Weather Research and Forecasting (WRF) Environmental Modeling System (EMS). The WRF EMS is a complete, full physics numerical weather prediction package that incorporates dynamical cores from both the Advanced Research WRF (ARW) and the Non-hydrostatic Mesoscale Model (NMM). The installation, configuration, and execution of either the ARW or NMM models is greatly simplified by the WRF EMS to encourage its use by NWS Weather Forecast Offices (WFOs) and the university community. The WRF EMS is easy to run on most Linux workstations and clusters without the need for compilers. Version 3 of the WRF EMS contains the most recent public release of the WRF-NMM and ARW modeling system (version 3 of the ARW is described in Skamarock et al. 2008), the WRF Pre-processing System (WPS) utilities, and the WRF Post-Processing program. The system is developed and maintained by the NWS National Science Operations Officer Science and Training Resource Coordinator. To initialize the WRF EMS with high-resolution MODIS SSTs, SPoRT developed the composite product consisting of MODIS SSTs over oceans and large lakes with the NCEP Real-Time Global (RTG) filling data over land points. Filling the land points is required due to minor inconsistencies between the WRF land-sea mask and that used to generate the MODIS SST composites. This methodology ensures a continuous field that adequately initializes all appropriate arrays in WRF. MODIS composites covering the Gulf of Mexico, western Atlantic Ocean and the Caribbean are generated daily at 0400, 0700, 1600, and 1900 UTC corresponding to overpass times of the NASA Aqua and Terra polar orbiting satellites. The MODIS SST product is output in gridded binary-1 (GRIB-1) data format for a seamless incorporation into WRF via the WPS utilities. The full-resolution, 1-km MODIS product is sub-sampled to 2-km grid spacing due to limitations in handling very large dimensions in the GRIB-1 data format. The GRIB-1 files are posted online at ftp://ftp.nsstc.org/sstcomp/WRF/, which is directly accessed by the WRF EMS scripts. The MODIS SST composites are also downloaded to the EMS data server, which is accessible by the WRF EMS users and NWS WFOs. The SPoRT MODIS SST composite provides the model with superior detail of the ocean gradients around Florida and surrounding waters, whereas the operational RTG SST typically depicts a relatively smooth field and is not able to capture sharp horizontal gradients in SST. Differences of 2-3 C are common over small horizontal distances, leading to enhanced SST gradients on either side of the Gulf Stream and along the edges of the cooler shelf waters. These sharper gradients can in turn produce atmospheric responses in simulated temperature and wind fields as depicted in LaCasse et al. Differences in atmospheric verification statistics over a several month study were generally small in the vicinity of south Florida; however, the validation of SSTs at specific buoy locations revealed important improvements in the biases and RMS errors, especially in the vicinity of the cooler shelf waters off the east-central Florida coast. A current weakness in the MODIS SST product is the occurrence of occasional discontinuities caused by high latency in SST coverage due to persistent cloud cover. An enhanced method developed by Jedlovec et al. (2009, GHRSST User Symposium) reduces the occurrence of these problems by adding Advanced Microwave Scanning Radiometer -- EOS (AMSR-E) SST data to the compositing process. Enhanced SST composites are produced over the ocean regions surrounding the Continental U.S. at four times each day corresponding to Terra and Aqua equator crossing times. For a given day and overpass time, both MODInd AMSR-E data from the previous seven days form a collection used in the compositing. At each MODIS pixel, cloud-free SST values from the collection are used to form a weighted average based on their latency (number of days from the current day). In this way, recent SST data are given more weight than older data. One of the primary issues involved in incorporating the AMSR-E microwave data in the composites is the tradeoff between the decreased spatial resolution of the AMSR-E data (25 km) and the increased coverage due to its near all-weather capability. Currently, the AMSR-E is given a weight of 20% compared to MODIS data, thereby preserving the spatial structure observed in the MODIS data. Day-time (night-time) AMSR-E SST data from Aqua are used with both Terra and Aqua MODIS day-time (night-time) SST data sets.

Case, Jonathan L.↗
DOE OSTI2022

The Effect of Surface Heating Heterogeneity on Boundary Layer Height and Its Dependence on Background Wind Speed

The planetary boundary layer height (PBLH) is a fundamental variable of the planetary boundary layer (PBL). The effect of surface heterogeneity is challenging in the PBL parameterization for numerical weather and climate models. Here we use large eddy simulation data to investigate the impact of surface heating heterogeneity on the PBLH spatial variations and mean values over a domain of typical mesoscale model grid size. It is found that this impact depends on background wind condition. Variance decomposition and Fourier spectra both reveal that for the fully developed sheared convective PBL, surface heterogeneity contributes little to the spatial variation of PBLH, except for the case with heterogeneity scale of 14.4 km. This suggests that surface heterogeneity with length scales less than ~10 km, which is typical for mesoscale modeling, does not induce significant subgrid spatial variation of PBLH. The domain-averaged PBLH is found to generally increase as surface heterogeneity scale decreases, until reaching the scale on the order of PBLH. The findings can be used to inform the parameterization development of PBL processes over heterogeneous surface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A New Framework for the Attribution of Air‐Sea CO 2 Exchange

Abstract The air‐sea transfer of carbon dioxide can be viewed as a dynamic system through which atmospheric and oceanic processes push surface waters away from thermodynamic equilibrium, while diffusive gas transfer pulls them back toward local equilibrium. These push/pull processes drive significant sub‐seasonal, seasonal, and interannual variability in air‐sea carbon fluxes, the quantification of which is critical both for diagnosing the ocean response to fossil fuel emissions and for attempts to mitigate anthropogenic climate disruption through intentional modification of surface ocean biogeochemistry. In this study, we present a new approach for attributing air‐sea carbon fluxes to specific mechanisms. The new framework is first applied to a two‐box ocean nutrient and carbon cycle model as an illustrative example. Next, outputs from a regional eddy‐resolving model of the Southern Ocean are analyzed. The roles of multiple physical and biogeochemical processes are identified. The decomposition of the seasonal air‐sea carbon flux shows the dominant role of biological carbon pumps that are partially compensated by the transport convergence. Finally, the framework is used to diagnose the response to mesoscale iron and alkalinity release, explicitly quantifying transport feedback and eventual impacts on net air‐sea carbon flux. Ocean carbon transport has divergent influences between iron and alkalinity release, due to opposing near‐surface gradients of dissolved inorganic carbon. We suggest that our attribution framework may be a useful analytical technique for monitoring natural ocean carbon fluxes and quantifying the impacts of human intervention on the ocean carbon cycle.

Ito, Takamitsu [School of Earth and Atmospheric Sc↗
DOE OSTI2023

PyFLEXTRKR: a flexible feature tracking Python software for convective cloud analysis

Abstract. This paper describes the new open-source framework PyFLEXTRKR (Python FLEXible object TRacKeR), a flexible atmospheric feature tracking software package with specific capabilities to track convective clouds from a variety of observations and model simulations. This software can track any atmospheric 2D objects and handle merging and splitting explicitly. The package has a collection of multi-object identification algorithms, scalable parallelization options, and has been optimized for large datasets including global high-resolution data. We demonstrate applications of PyFLEXTRKR on tracking individual deep convective cells and mesoscale convective systems from observations and model simulations ranging from large-eddy resolving (∼100s m) to mesoscale (∼10s km) resolutions. Visualization, post-processing, and statistical analysis tools are included in the package. New Lagrangian analyses of convective clouds produced by PyFLEXTRKR applicable to a wide range of datasets and scales facilitate advanced model evaluation and development efforts as well as scientific discovery.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Structure of Water Adsorbed on Nanocrystalline Calcium Silicate Hydrate Determined from Neutron Scattering and Molecular Dynamics Simulations

Calcium silicate hydrate (C-S-H) is a disordered, nanocrystalline material that acts as a primary binding phase in Portland cement. Thin films of water are present on the surfaces and in nanopores of C-S-H, impacting many of its chemical and mechanical properties, such as ion transport, creep, or thermal behavior. Despite decades of research, a full understanding of the structural details of adsorbed, confined, and bulk water in C-S-H remains elusive. In this work, we applied a multitechnique study involving molecular dynamics (MD) simulations validated by neutron diffraction with isotopic substitution (NDIS) and X-ray scattering methods to investigate the structure of water in C-S-H and C-A-S-H (an Al-bearing, low-CO 2 C-S-H substitute). Direct comparison of NDIS data with the MD results reveals that the structure of confined and interfacial water differs significantly from the bulk water and exhibits a larger degree of mesoscale ordering for more hydrated C-S-H structures. As a result, this observation suggests an important role of water as a stabilizer of the atomistic-level structure of C-S-H.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transforming ESM Physical Parameterization Development Using Machine Learning Trained on Global Cloud-Resolving Models and Process Observations

ESMs robustly predict that 21st century greenhouse warming will slowly increase global mean precipitation, rapidly increase extreme precipitation, and increase subtropical drought. ESMs agree less about precipitation trends and extremes over particular land regions critical to human societies, e. g. in semi-arid regions such as California or the Sahel, or in wetter climates prone to monsoonal rainfall (e. g. southeast Asia) or to tropical cyclones and flooding from mesoscale convective systems (e. g. the southeastern U.S.) Deep convective parameterizations and poor representation of orography and complex vegetated land surfaces contribute to this inter-model spread; clouds, aerosols and sea-surface temperature biases are also key. Reducing regional precipitation projection uncertainty has enormous planning value for water supplies, land use, wildfire, hydropower, flood control, etc. IPCC-class ESMs are making painfully slow progress on this.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effects of organized convection parameterization on the MJO and precipitation in E3SMv1. Part I: Mesoscale heating

Mesoscale organization of convection is typically not represented in global circulation models, and hence its influence on the global circulation is not accounted for. The heating component of a parameterization that represents the dynamical and physical effects of circulations associated with organized convection, referred to as the multiscale coherent structure parameterization (MCSP), is implemented in the Energy Exascale Earth System Model version 1 (E3SMv1). Numerical simulations are conducted to assess its impact on the simulated climate. Besides E3SMv1 simulations, we performed high-resolution (1 km) simulations using the Weather Research and Forecasting (WRF) Model to determine the temperature tendencies induced by mesoscale convective systems embedded in deep convection. We tuned the free parameters of the MCSP based on the WRF simulations. MCSP heating enhances Kevin wave spectra in E3SMv1, improves the representation of the Madden-Julian Oscillation, and impacts on mean precipitation that vary with locations and seasons, including a reduction of biases over the tropical Pacific.

Climate Modeling↗
DOE OSTI2020

Functional, Hierarchical Colloidal Liquid Crystal Gels and Liquid Crystal Elastomers Nanocomposites. Final Report

Biological systems rely on a hierarchy of dynamic, complex and reconfigurable compartments to carry out functions essential for life. This hierarchical organization serves as an amplifier that allows highly localized, molecular events to propagate into the mesoscale, resulting in dynamic functional properties of biological systems that have not yet been fully realized in synthetic material designs. We pursued a program of research in which we recreated such principles using synthetic liquid crystals (LC) as a versatile platform. We elucidated new hierarchical design strategies that heavily leverage surface anchoring, coexisting phases and interfacial tension gradient to realize equilibrium and non-equilibrium, dynamic mesoscale phenomena in the context of micrometer-sized LC droplets containing multiple compartments. Specifically, we unmasked how equilibrium and dynamical phenomena emerged from hierarchical organizations in reconfigurable, thermotropic liquid crystalline assemblies. The long-term impact of the project is to advance new hierarchical designs of complex soft matter systems in which biomimetic principles, including the propagation of events or information over multiple temporal and spatial scales, are enacted in a facile manner.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effective Lanthanide Diffusivity through U-Zr Metallic Fuel

Fuel-cladding chemical interaction (FCCI) is one of the main concerns for the performance of U-Zr metallic fuels. Although FCCI results in complex phase transformations and morphological changes in both the fuel and cladding sides of the interface, the formation of a brittle layer in the cladding side of the interface (sometimes referred to as wastage) has one of the most significant impacts on the cladding mechanical integrity. This brittle layer is associated with the formation of intermetallic compounds between the cladding constituents Fe, Cr and the lanthanide fission product species. The formation of this cladding wastage layer has been the focus of recent efforts to develop a mechanistic modeling framework, including production of lanthanides in the fuel, transport through the fuel to the fuel-cladding interface, and phase transformation to form intermetallic phases. To calculate the rate of transport of lanthanides through the fuel, a multi-scale computational approach has been used. Atomistic calculations have been performed to determine the diffusivities of Nd, the most prevalent lanthanide species, through the solid fuel matrix and along pore surfaces. These diffusivities have been used as input parameters for a mesoscale model to determine an effective diffusion coefficient that accounts for the formation of porosity, its interconnection, and infiltration with bond sodium from the fuel-cladding gap. The effective diffusivity has been used in engineering-scale simulations using the BISON fuel performance code, and BISON simulations have been compared to representative validation cases from the EBR-II reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1987

Physical mechanisms of heat, momentum and turbulence fluxes

In a qualitative way, the physical mechanisms which generate fluxes of heat, momentum, and turbulence in the atmosphere are discussed. This material is presented to acquaint people with the Earth science aspects of turbulence as important processes in the atmosphere. To attempt to describe turbulent fluxes of heat, momentum, and moisture in precise mathematical detail becomes an intractable problem. It is burdened by an eighth order set of equations involving more variables than equations. It is a closure problem which requires complicated assumptions that are not necessarily always satisfied, variable boundary conditions, and sparse observational data. Therefore, we must approach the problem in a simplified manner to obtain any kind of solution involving the variables of shear, stress, and heat, moisture, and momentum fluxes. There are other problems, of course, in which the inclusion of the planetary boundary layer is extremely important. Air pollution studies, air-sea exchanges, mesoscale models, and so on, must account for the planetary layer in very specific terms. Some of the physical mechanisms that are involved in generating fluxes are described.

Theon, John S.↗
DOE OSTI2024

Direct quantification of ion composition and mobility in organic mixed ionic-electronic conductors

Ion transport in organic mixed ionic-electronic conductors (OMIECs) is crucial due to its direct impact on device response time and operating mechanisms but is often assessed indirectly or necessitates extra assumptions. Operando x-ray fluorescence (XRF) is a powerful, direct probe for elemental characterization of bulk OMIECs and was used to directly quantify ion composition and mobility in a model OMIEC, poly(3,4-ethylenedioxythiophene)-poly(styrene sulfonate) (PEDOT:PSS), during device operation. The first cycle revealed slow electrowetting and cation-proton exchange. Subsequent cycles showed rapid response with minor cation fluctuation (~5%). Comparison with optical-tracked electrochromic fronts revealed mesoscale structure–dependent proton transport. The calculated effective ion mobility demonstrated thickness-dependent behavior, emphasizing an interfacial ion transport pathway with a higher mobile ion density. The decoupling of interfacial effects on bulk ion mobility and the decoupling of cation and proton migration elucidate ion transport in conventional and emerging OMIEC-based devices and has broader implications for other ionic conductors writ large.

42 ENGINEERING↗
DOE OSTI2020

Crystalline Mesoporous Complex Oxides: Porosity-Controlled Electromagnetic Response

A colloidal--amphiphile--templated growth is developed to synthesize mesoporous complex oxides with highly crystalline frameworks. Organosilane-containing colloidal templates can convert into thermally stable silica that prevents the overgrowth of crystalline grains and the collapse of the mesoporosity. Using ilmenite CoTiO 3 as an example, the high crystallinity and the extraordinary thermal stability of its mesoporosity are demonstrated at 800 °C for 48 h under air. This synthetic approach is general and applicable to a series of complex oxides that are not reported with mesoporosity and high crystallinity, such as NiTiO 3 , FeTiO 3 , ZnTiO 3 , Co 2 TiO 4 , Zn 2 TiO 4 , MgTi 2 O 5 , and FeTi 2 O 5 . Those novel materials make it possible to build up correlations between mesoscale porosity and surface-sensitive physicochemical properties, e.g., electromagnetic response. For mesoporous CoTiO 3 , there is a 3 K increase of its antiferromagnetic ordering temperature, compared with that of nonporous one. Lastly, this finding provides a general guideline to design mesoporous complex oxides that allow exploring their unique properties different from bulk materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

How Well Does the DOE Global Storm Resolving Model Simulate Clouds and Precipitation Over the Amazon?

This study assesses a 40-day 3.25-km global simulation of the Simple Cloud-Resolving E3SM Model (SCREAMv0) using high-resolution ground-based observations from the Atmospheric Radiation Measurement (ARM) Green Ocean Amazon (GoAmazon) field campaign. SCREAMv0 reasonably captures the diurnal timing of boundary layer clouds yet underestimates the boundary layer cloud fraction and mid-level congestus. SCREAMv0 well replicates the precipitation diurnal cycle, however it exhibits biases in the precipitation cluster size distribution compared to scanning radar observations. Specifically, SCREAMv0 overproduces clusters smaller than 128 km, and does not form enough large clusters. Such biases suggest an inhibition of convective upscale growth, preventing isolated deep convective clusters from evolving into larger mesoscale systems. This model bias is partially attributed to the misrepresentation of land-atmosphere coupling. This study highlights the potential use of high-resolution ground-based observations to diagnose convective processes in global storm resolving model simulations, identify key model deficiencies, and guide future process-oriented model sensitivity tests and detailed analyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Two-Day Westward-Propagating Inertio-Gravity Waves during GoAmazon

The dynamical and thermodynamical features of Amazonian 2-day westward-propagating inertia–gravity (WIG) waves are examined. On the basis of a linear regression analysis of satellite brightness temperature and data from the 2014–15 Observations and Modeling of the Green Ocean Amazon (GoAmazon) field campaign, it is shown that Amazonian WIG waves exhibit structure and propagation characteristics consistent with the n = 1 WIG waves from shallow water theory. These WIG waves exhibit a pronounced seasonality, with peak activity occurring from March to May and a minimum occurring from June to September. Evidence is shown that mesoscale convective systems over the Amazon are frequently organized in 2-day WIG waves. Results suggest that many of the Amazonian WIG waves come from preexisting 2-day waves over the Atlantic, which slow down when coupled with the deeper, more intense convection over tropical South America. In contrast to WIG waves that occur over the ocean, Amazonian 2-day WIG waves exhibit a pronounced signature in surface temperature, moisture, and heat fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Evaluating the 3D PBL scheme for wind energy applications in the complex terrain of Altamont Pass, CA

In this study, the 3D PBL scheme, developed and tested during previous WETO projects, was used to simulate daily speedup flows in the Altamont Pass Wind Resource Area of California. These flows were observed as part of the WFIP2 companion experiment HilFlowS, which examined potential power output from taller turbines in the Altamont region. The regularity of the observed speedup events during the summer months, combined with the importance of terrain-induced wind acceleration, makes them a useful case study for evaluating mesoscale forecast models, which often underperform in regions of complex terrain. Compared to a traditional one-dimensional PBL scheme, the 3D PBL scheme shows evidence of improved wind speed predictions, including an ability to capture atypical wind speed profiles and reduce model overestimates of wind speed across the turbine rotor region. Such improvements will be necessary for wind farm siting and power forecasting, especially as taller turbines are deployed in complex terrain.

17 WIND ENERGY↗
DOE OSTI2022

Phase-field simulations to inform nuclear fuel performance modeling

Software tools to simulate nuclear fuel performance at the engineering scale, such as Idaho National Laboratory (INL)’s BISON code, are increasingly relied upon in regulatory and economic decision-making. However, accurate results from these tools depends on the availability of materials parameters that are used as input. In recent years, atomistic and mesoscale simulation methods have emerged as a cost-effective, expedient means to obtain such input parameters. Phase-field simulations using INL’s Marmot application have been used to obtain microstructure-level parameters and to improve material models for fuel performance modeling using BISON. In this talk, recent examples of this process are given, including applications in UO2, U3Si2, and UZr fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Non-Gaussian distribution of displacements for Lennard-Jones particles in equilibrium

Most mesoscale simulation methods assume Gaussian distributions of velocity-like quantities. These quantities are not true velocities, however, but rather time-averaged velocities or displacements of particles. Here, we show that there is a large range of coarse-graining scales where the assumption of a Gaussian distribution of these displacements fails, and a more complex distribution is required to adequately express these distribution functions of displacements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗