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DOE OSTI2021

Observations of Aerosol, Cloud, Turbulence, and Radiation Properties at the Top of the Marine Boundary Layer over the Eastern North Atlantic Ocean: The ACORES Campaign

We report on the Azores Stratocumulus Measurements of Radiation, Turbulence and Aerosols (ACORES) campaign, which took place around Graciosa and Pico Islands/Azores in July 2017. The main objective was to investigate the vertical distribution of aerosol particles, stratocumulus microphysical and radiative properties, and turbulence parameters in the eastern North Atlantic. The vertical exchange of mass, momentum, and energy between the free troposphere (FT) and the cloudy marine boundary layer (MBL) was explored over a range of scales from submeters to kilometers. To cover these spatial scales with appropriate measurements, helicopter-borne observations with unprecedented high resolution were realized using the Airborne Cloud Turbulence Observation System (ACTOS) and Spectral Modular Airborne Radiation Measurement System–Helicopter-Borne Observations (SMART-HELIOS) instrumental payloads. Here, the helicopter-borne observations were combined with ground-based aerosol measurements collected at two continuously running field stations on Pico Mountain (2,225 m above sea level, in the FT), and at the Atmospheric Radiation Measurement (ARM) station on Graciosa (at sea level). First findings from the ACORES observations we are discussing in the paper are as follows: (i) we have observed a high variability of the turbulent cloud-top structure on horizontal scales below 100 m with local temperature gradients of up to 4 K over less than 1 m vertical distance, (ii) we have collected strictly collocated radiation measurements supporting the relevance of small-scale processes by revealing significant inhomogeneities in cloud-top brightness temperature to scales well below 100 m, and (iii) we have concluded that aerosol properties are completely different in the MBL and FT with often-complex stratification and frequently observed burst-like new particle formation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Particle–Continuum Coupling and its Scaling Regimes: Theory and Applications

Abstract This work is motivated by the goal of designing simulation software for technical devices that, at their functional core, rely on atomistic‐scale processes embedded in a larger‐scale fluid environment. The core of the problem is the conceptual and technical approach for coupling particle and continuum representations of a fluid. The state of the art for key aspects including physical modeling, mathematical formalization, computational implementation, and applications, is discussed and organized in a consistent picture across the relevant physical regimes.

Delle Site, Luigi↗

DOE OSTI2022

Fuel Fabrication Capability Assessment in Support of Advanced Reactor Deployments

More than 30 U.S. companies are designing a variety of advanced reactor concepts, and several companies are planning to demonstrate their reactor designs in the mid-2020s to late 2030s time frame. In 2020, the U.S. Department of Energy (DOE) announced a series of awards under the Advanced Reactor Demonstration Program (ARDP) to accelerate the successful deployment of 10 of these reactors under three pathways. TerraPower and X-energy were awarded grants under the Advanced Reactor Demonstration Program to deploy their respective Natrium reactor and Xe-100 reactor designs in the next 7–10 years. These demonstrations are in addition to several parallel programs, including the U.S. Department of Defense’s (DoD’s) interest in the development of microreactors, and interest of the National Aeronautics and Space Administration in space nuclear power and propulsion. The National Reactor Innovation Center’s (NRIC’s) mission is to accelerate the demonstration and deployment of advanced reactors; NRIC is partnering with several reactor developers and harnessing the world-class capabilities of the U.S. National Laboratory system to deliver on its mission. Several of these reactor designs will require advanced fuel forms that are not commercially available today, including metal fuel, molten salt fuel, TRi-structural ISOtropic (TRISO) particle fuel, and uranium nitride fuel. Recognizing that there may be potential gaps in the laboratory-scale process development and pilot-scale first-of-a-kind (FOAK) production of these fuel forms leading to delivery of the FOAK cores, NRIC commissioned this study to look at the challenges that need to be overcome for successful deliveries, including the evaluation of existing facilities and the potential need for a new fuel fabrication facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2022

Satellite Precipitation Measurements: What Have We Learnt About Cloud-Precipitation Processes From Space?

Precipitation is one of the fundamental elements that define global and regional climatology. Precipitation systems consist of a broad spectrum of three-dimensional structures in which microphysical processes interact with macro-scale processes in the cloud system and the ambient environment that prescribe the evolution of the system. Since 1970s, satellite observations of precipitation have been a fundamental tool in quantifying this complex interaction. They have first quantified the frequency and intensity of global precipitation, including remote areas over open oceans and polar regions, thus providing today’s precipitation climatology. More recently, satellite observations of cloud and precipitation have been exploited for understanding the physical mechanisms governing precipitation systems. A subset of these studies also provided observation-based metrics to probe physical processes operating in cloud-precipitation systems and to apply them as diagnostic measures for evaluating the representation of the processes in numerical models for better projections of future climate. In this chapter, we first review the theoretical basis of precipitation remote sensing from space and describe how it is practically applied in satellite missions. In the first part of the chapter, an historical overview of the satellite missions is described, summarising the instruments and retrieval algorithms developed in the missions. In the second part, we introduce a set of studies discussing the fundamental mechanisms behind precipitation formation, highlighting what we have learnt to date on cloud-precipitation processes from satellite observations.

Precipitation↗

NASA NTRS2023

Investigating the Response of Land-Atmosphere Interactions and Feedbacks to Spatial Representation of Irrigation in a Coupled Modeling Framework

The transport of water, heat, and momentum from the surface to the atmosphere is dependent in part on the 10 characteristics of the land surface. Together with the model physics, parameterization schemes, and parameters employed, land datasets determine the spatial variability in land surface states (i.e., soil moisture and temperature) and fluxes. Despite the importance of these datasets, they are often chosen out of convenience or regional limitations without due assessment of their impacts on model results. Irrigation is an anthropogenic form of land heterogeneity that has been shown to alter the land surface energy balance, ambient weather, and local circulations. As such, irrigation schemes are becoming more 15 prevalent in weather and climate models with rapid developments in dataset availability and parameterization scheme complexity. Thus, to address pragmatic issues related to modeling irrigation, this study uses a high-resolution, regional coupled modeling system to investigate the impacts of irrigation dataset selection on land-atmosphere (L-A) coupling using a case study from the Great Plains Irrigation Experiment (GRAINEX) field campaign. The simulations are assessed in the context of irrigated versus non-irrigated regions, subregions across the irrigation gradient, and sub-grid scale process 20 representation in coarser scale models. The results show that L-A coupling is sensitive to the choice of irrigation dataset and resolution and that the irrigation impact on surface fluxes and near surface meteorology can be dominant, conditioned on the details of the irrigation map (i.e., boundaries, heterogeneity, etc), or minimal. A consistent finding across several analyses was that even a low percentage of irrigation fraction (i.e., 4-16%) can have significant local and downstream atmospheric impacts (e.g., lower PBL height), suggesting that representation of boundaries and heterogeneous areas within irrigated 25 regions is particularly important for the modeling of irrigation impacts on the atmosphere in this model. When viewing the simulations presented here as a proxy for ‘ideal’ tiling in a Earth System Model scale gridbox, the results show that some ‘tiles’ will reach critical nonlinear moisture and planetary boundary layer (PBL) thresholds that could be important for clouds and convection, implying that heterogeneity resulting from irrigation should be taken into consideration in new sub-grid land-atmosphere exchange parameterizations.

Patricia Lawston-Parker↗

DOE OSTI2022

Process design for calcination of nickel-based cathode materials by in situ characterization and multiscale modeling

Developing battery materials towards commercial use, from the early discovery through synthesis, processing, scaling up, and eventually to industrial production, may take decades. A notable example is Ni-based layered oxides, which were discovered as early as 1950s and intensively pursued as cathode active materials (CAMs) since the early 90s but have yet to realize their full commercial potential. Significant efforts have been devoted to materials development aiming at improving performance, far less to process development for large-scale synthesis and processing of CAMs. In this paper, we present a rational design of calcination for scalable production of Ni-based CAMs. We start with an overview of the current understanding and knowledge gaps hindering rational process design and scaling-up of the calcination process. Then with specific examples, we demonstrate how to tackle those fundamental challenges through in situ characterization and multiscale modeling. Finally, we conclude by providing perspectives on the remaining challenges and emerging opportunities in commercial development of Ni-based cathodes, calling for more endeavors in this field.

25 ENERGY STORAGE↗

NASA NTRS2002

Development and Applications of a Modular Parallel Process for Large Scale Fluid/Structures Problems

A modular process that can efficiently solve large scale multidisciplinary problems using massively parallel supercomputers is presented. The process integrates disciplines with diverse physical characteristics by retaining the efficiency of individual disciplines. Computational domain independence of individual disciplines is maintained using a meta programming approach. The process integrates disciplines without affecting the combined performance. Results are demonstrated for large scale aerospace problems on several supercomputers. The super scalability and portability of the approach is demonstrated on several parallel computers.

Guruswamy, Guru P.↗

NASA NTRS2001

Development and Applications of a Modular Parallel Process for Large Scale Fluid/Structures Problems

A modular process that can efficiently solve large scale multidisciplinary problems using massively parallel super computers is presented. The process integrates disciplines with diverse physical characteristics by retaining the efficiency of individual disciplines. Computational domain independence of individual disciplines is maintained using a meta programming approach. The process integrates disciplines without affecting the combined performance. Results are demonstrated for large scale aerospace problems on several supercomputers. The super scalability and portability of the approach is demonstrated on several parallel computers.

Guruswamy, Guru P.↗

NASA NTRS2012

CO2 Flux Estimation Errors Associated with Moist Atmospheric Processes

Vertical transport by moist sub-grid scale processes such as deep convection is a well-known source of uncertainty in CO2 source/sink inversion. However, a dynamical link between vertical transport, satellite based retrievals of column mole fractions of CO2, and source/sink inversion has not yet been established. By using the same offline transport model with meteorological fields from slightly different data assimilation systems, we examine sensitivity of frontal CO2 transport and retrieved fluxes to different parameterizations of sub-grid vertical transport. We find that frontal transport feeds off background vertical CO2 gradients, which are modulated by sub-grid vertical transport. The implication for source/sink estimation is two-fold. First, CO2 variations contained in moist poleward moving air masses are systematically different from variations in dry equatorward moving air. Moist poleward transport is hidden from orbital sensors on satellites, causing a sampling bias, which leads directly to small but systematic flux retrieval errors in northern mid-latitudes. Second, differences in the representation of moist sub-grid vertical transport in GEOS-4 and GEOS-5 meteorological fields cause differences in vertical gradients of CO2, which leads to systematic differences in moist poleward and dry equatorward CO2 transport and therefore the fraction of CO2 variations hidden in moist air from satellites. As a result, sampling biases are amplified and regional scale flux errors enhanced, most notably in Europe (0.43+/-0.35 PgC /yr). These results, cast from the perspective of moist frontal transport processes, support previous arguments that the vertical gradient of CO2 is a major source of uncertainty in source/sink inversion.

moist atmospheric processes↗

DOE OSTI2022

Frame invariant neural network closures for Kraichnan turbulence

Numerical simulations of geophysical and atmospheric flows have to rely on parameterizations of subgrid scale processes due to their limited spatial resolution. Despite substantial progress in developing parameterization (or closure) models for subgrid scale (SGS) processes using physical insights and mathematical approximations, they remain imperfect and can lead to inaccurate predictions. In recent years, machine learning has been successful in extracting complex patterns from high-resolution spatio-temporal data, leading to improved parameterization models, and ultimately better coarse grid prediction. However, the inability to satisfy known physics and poor generalization hinders the application of these models for real-world problems. In this work, we put forth a frame invariant closure approach to improve the accuracy and generalizability of deep learning-based subgrid scale closure models by embedding physical symmetries directly into the structure of the neural network. Specifically, we utilized specialized layers within the convolutional neural network in such a way that desired constraints are theoretically guaranteed without the need for any regularization terms. We demonstrate our framework for a two-dimensional decaying turbulence test case mostly characterized by the forward enstrophy cascade. We show that our frame invariant SGS model (i) accurately predicts the subgrid scale source term, (ii) respects the physical symmetries such as translation, Galilean, and rotation invariance, and (iii) is numerically stable when implemented in coarse-grid simulation with generalization to different initial conditions and Reynolds number. This work opens up a possibility of connecting physics-based theories and data-driven modeling paradigms, and thus represents a promising step towards the development of physically consistent data-driven turbulence closure models.

42 ENGINEERING↗

NASA NTRS1991

Avalanches and the distribution of solar flares

The solar coronal magnetic field is proposed to be in a self-organized critical state, thus explaining the observed power-law dependence of solar-flare-occurrence rate on flare size which extends over more than five orders of magnitude in peak flux. The physical picture that arises is that solar flares are avalanches of many small reconnection events, analogous to avalanches of sand in the models published by Bak and colleagues in 1987 and 1988. Flares of all sizes are manifestations of the same physical processes, where the size of a given flare is determined by the number of elementary reconnection events. The relation between small-scale processes and the statistics of global-flare properties which follows from the self-organized magnetic-field configuration provides a way to learn about the physics of the unobservable small-scale reconnection processes. A simple lattice-reconnection model is presented which is consistent with the observed flare statistics. The implications for coronal heating are discussed and some observational tests of this picture are given.

Lu, Edward T.↗

NASA NTRS1992

In-situ resource utilization activities at the NASA Space Engineering Research Center

The paper describes theoretical and experimental research activities at the NASA Space Engineering Research Center aimed at realizing significant cost savings in space missions through the use of locally available resources. The fundamental strategy involves idea generation, scientific screening, feasibility demonstrations, small-scale process plant design, extensive testing, scale-up to realistic production rates, associated controls, and 'packaging', while maintaining sufficient flexibility to respond to national needs in terms of specific applications. Aside from training, the principal activities at the Center include development of a quantitative figure-of-merit to quickly assess the overall mission impact of individual components that constantly change with advancing technologies, extensive tests on a single-cell test bed to produce oxygen from carbon dioxide, and the use of this spent stream to produce methane.

Ramohalli, Kumar↗

NASA NTRS1992

The macroscopic behavior of cumulus ensembles simulated by a cumulus ensemble model

A number of simulation experiments are performed with the 2D UCLA cumulus ensemble model to study the macroscopic behavior of cumulus convection under a variety of different large-scale and underlying surface conditions. Specifically, the modulation of cumulus activity by the imposed large-scale processes and the eddy kinetic energy (EKE) budget are investigated in detail. In all simulations, cumulus convection is rather strongly modulated by large-scale advective processes in spite of the existence of some nonmodulated high-frequency fluctuations. The modulation exhibits some phase delays, however, when the basic wind shear is strong. This is presumably associated with the existence of mesoscale convective organization. The EKE budget analysis shows that the net eddy buoyancy generation rate is nearly zero for a wind range of cumulus ensembles.

Xu, Kuan-Man↗

NASA NTRS1994

Microphone Corrections for Accurate In-Flow Acoustic Measurements at High Frequency

Acoustic analysis of aircraft components through small-scale experiments in wind tunnels requires in-flow acoustic measurements at high frequencies. This high frequency information is shifted to lower frequencies during the geometric scaling process. As a result, models of scale one tenth and smaller require frequency information of up to at least 100 kHz to resolve the midpoint of the full-scale equivalent audible range. Farfield acoustic measurements of frequencies higher than 100 kHz are prohibitively difficult to make due to the physical limitations of atmospheric propagation over large distances and the delicacy of the required instruments. Even measurements up to 100 kHz require special corrections and calibration procedures to maintain sufficient accuracy. In-flow microphone measurements at high frequencies require additional consideration due to the presence of the aerodynamic microphone forebody which protects the microphone diaphragm from flow impingement. The screen located at the forebody surface attenuates the high frequency acoustic waves and must be accounted for. The purpose of this paper is to present procedures for calibrating and correcting high frequency acoustic measurements to retain high accuracy. Specifically, this paper gives calibration procedures and examples of typical data for calibrating or correcting for five physical effects. These effects include the frequency response of the entire acoustic data acquisition system, intrusion of the microphone into the acoustic field, forebody screen attenuation, directionality of microphone forebody response and atmospheric absorption.

Allen, Christopher S.↗

NASA NTRS2012

A CloudSat Perspective of the Atmospheric Water Cycle and Precipitation: Recent Progress and Grand Challenges

Summary Global - mean precipitation - is controlled by Earth's energy balance and is a quantifiable consequence of the water vapor feedback. Predictability rests on the degree to which the water vapor feedback is predictable. Regional scale - to a significant extent, changes are shaped by atmospheric circulation changes but we do not know the extent to which regional scale changes are predictable. The impacts of changes to atmospheric circulation on regional scale water cycle changes can be dramatic. Process - scale - significant biases to the CHARACTER of precipitation (frequency and intensity) is related to how the precipitation process is parameterized in models. Aerosol - We still do not know the extent to which the water cycle is influenced by aerosol but anecdotal evidence is building. The character of precipitation is affected by the way aerosol influence clouds and thus affects the forcing of the climate system through the albedo effect. Observations - we still have a way to go and need to approach the problem in a more integrated way (tie clouds, aerosol and precipitation together and then link to soil moisture, etc). Globally our capabilities seriously lag behind the science and model development.

terrestrial water cycles↗

NASA NTRS1999

How Does the Global-Scale Atmosphere Circulation Produce Clouds?

Although clouds are produced by "micro-scale" processes, these processes operate as a response to global-scale atmospheric motions to produce the complex geographic distribution of clouds on Earth. One way to attack this larger-scale problem is to combine global-scale satellite observations of cloud property variations with global-scale determinations of the atmospheric circulation. Such a global data analysis can be used to describe the mean characteristics of clouds and their variations for comparison with global circulation models, to identify systematic relations among observed cloud properties and atmospheric motions, or to estimate, directly, the derivative relations of the processes at work using statistical life-cycle-composites of cloud system evolution. Another approach is to find what characteristics of the global atmospheric circulation are revealed in observed global-scale cloud variations. For the first time this type of analysis is possible with the advent of global, satellite-based cloud (ISCCP), precipitation (microwave-based), and water vapor (merged infrared and microwave) datasets, together with global wind datasets (ECMWF and NCEP re-analyses), all of which resolve features at least down to the upper end of the mesoscale and cover more than a decade. We report on some preliminary attempts to identify quantitative relationships between atmospheric motions and cloud properties that are relevant to cloud processes. Three examples are given: (1) cloud variations at the smallest scales and what they reveal about the nature of small-scale turbulence in the atmospheric boundary layer, (2) cloud variations at "moderate" weather-scales and what they reveal about meteorological storm systems, and (3) cloud variations at the largest scales and what they indicate about interannual variations of climate.

Rossow, William B.↗

NASA NTRS2013

Influences of Regional Climate Change on Air Quality Across the Continental U.S. Projected from Downscaling IPCC AR5 Simulations

Projecting climate change scenarios to local scales is important for understanding, mitigating, and adapting to the effects of climate change on society and the environment. Many of the global climate models (GCMs) that are participating in the Intergovernmental Panel on Climate Change (IPCC) Fifth Assessment Report (AR5) do not fully resolve regional-scale processes and therefore cannot capture regional-scale changes in temperatures and precipitation. We use a regional climate model (RCM) to dynamically downscale the GCM's large-scale signal to investigate the changes in regional and local extremes of temperature and precipitation that may result from a changing climate. In this paper, we show preliminary results from downscaling the NASA/GISS ModelE IPCC AR5 Representative Concentration Pathway (RCP) 6.0 scenario. We use the Weather Research and Forecasting (WRF) model as the RCM to downscale decadal time slices (1995-2005 and 2025-2035) and illustrate potential changes in regional climate for the continental U.S. that are projected by ModelE and WRF under RCP6.0. The regional climate change scenario is further processed using the Community Multiscale Air Quality modeling system to explore influences of regional climate change on air quality.

Air quality control↗

DOE OSTI2024

Machine Learning for Joint Quality Control

The use of lightweight material combinations has been highly demanded in manufacturing automotive structures. However, making robust dissimilar material joints of such lightweight materials is still challenging. A significant barrier to achieving high-quality and repeatable joint performance is a deficient understanding of the relationship between the welding process, joint attributes, and joint performance. In this context, welding factors refer to material, equipment, environment, and process parameters, while joint features comprise specific microstructural attributes of the weld such as nugget size, heat affected zone (HAZ) topology, intermetallic layer thickness, and sheet thickness reduction. Joint performance is quantified in terms of strength (e.g., tensile shear, coach peel, cross-tension), weld size, and hardness, among other factors. While there have been many attempts to establish this process-structure-property relationship by developing a model derived from the associated physics and first principles, the complexity of the joining processes compounded by the complex interactions with different materials in an automotive assembly line environment, has hindered the usefulness of such attempts. The complexity is further exacerbated using different stacking materials, especially comprising dissimilar material combinations. In practice, the common approach has been the laborious process of creating welds, characterizing them, and then physically testing them through experimentation. With the emergence of artificial intelligence (AI) methods, an alternative pathway to eliciting the desired process-structure-property relationship at an accelerated pace is to use a data-driven approach by employing machine-learning (ML) techniques. This approach is benefitted by the availability of large streams of data, generated through years of research and testing by original equipment manufacturers, in the form of material, process, environmental, equipment, microstructural, and bulk-scale performance information from multimodal, multiscale sensors making measurements from laboratory-scale to production-scale processes. During Phase I efforts, which ended in fiscal year (FY) 2021, the Oak Ridge National Laboratory and Pacific Northwest National Laboratory (ORNL/PNNL) team demonstrated the effectiveness of different ML/AI frameworks in modeling complex relationships between resistance spot welding (RSW) process parameters, weld attributes, and joint properties using a subset of data from General Motors (GM). In FY 2022, the project team further refined and expanded their respective ML models to analyze additional welds with new weld stack-ups and materials to enhance the ML model predictive capability. ORNL extended its unified deep neural networks (DNN) ML training and prediction framework with new data streams of process parameters, and PNNL extended its model describing RSW process parameters’ associations with weld attributes. In FY 2023, the project team completed the development of the AI/ML architecture for analyzing aluminum/steel joints manufactured by GM via RSW and transitioned into the inline welding quality monitoring task for steel/steel RSW joints provided by GM.

36 MATERIALS SCIENCE↗