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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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NASA NTRS1984

Atmospheric science experiments applicable to Space Shuttle Spacelab missions

The present lack of a lower atmosphere research satellite program for the 1980s has prompted consideration of the Space Shuttle/Spacelab system as a means of flying sensor complements geared toward specific research problems, as well as continued instrument development. Three specific examples of possible science questions related to precipitation are discussed: (1) spatial structure of mesoscale cloud and precipitation systems, (2) lightning and storm development, and (3) cyclone intensification over oceanic regions. Examples of space sensors availab le to provide measurements needed in addressing these questions are also presented. Distinctive aspects of low-earth orbit experiments would be high resolution, multispectral sensing of atmospheric phenomena by complements of instruments, and more efficient sensor development through reflights of specific hardware packages.

Wilson, G. S.↗

NASA NTRS1995

Use of an adjoint model for finding triggers for Alpine lee cyclogenesis

The authors propose a new procedure, designated the adjoint-based genesis diagnostic (AGD) procedure, for studying triggering mechanisms and the subsequent genesis of the synoptic phenomena of interest. This procedure makes use of a numerical model sensitivity to initial conditions and the nonlinear evolution of the initial perturbations that are designed using this sensitivity. The model sensitivity is evaluated using the associated adjoint model. This study uses the dry version of the National Center for Atmospheric Research Mesoscale Adjoint Modeling System (MAMS) for the numerical experiments. The authors apply the AGD procedure to two cases of Alpine lee cyclogenesis that were observed during the Alpine Experiment special observations period. The results show that the sensitivity fields that are produced by the adjoint model and the associated initial perturbations are readily related to the probable triggering mechanisms for these cyclones. Additionally, the nonlinear evolution of these initial perturbations points toward the physical processes involved in the lee cyclone formation. The AGD experiments for a weak cyclone case indicate that the MAMS forecast model has an underrepresented topographic forcing due to the sigma vertical coordinate and that this model error can be compensated by adjustments in the initial conditions that are related to the triggering mechanisms, which is not associated with the topographic blocking mechanism.

Vukicevic, Tomislava↗

DOE OSTI2023

Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures

In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena originating from correlated electronic states harbored by them. Atomistic scale relaxation effects play an extremely important role in the electronic scale quantum physics of these systems, providing means of manipulation of these materials and allowing them to be tailored for emergent technologies. We investigate such structural relaxation effects in this work using atomistic and mesoscale models, within the context of twisted bilayer graphene — a well-known heterostructure system that features moiré patterns arising from the lattices of the two graphene layers. For small twist angles, atomic relaxation effects in this system are associated with the natural emergence of interface dislocations or strain solitons, which result from the cyclic nature of the generalized stacking fault energy (GSFE), that measures the interface energy based on the relative movement of the two layers. Here, in this work, we first demonstrate using atomistic simulations that atomic reconstruction in bilayer graphene under a large twist also results from interface dislocations, although the Burgers vectors of such dislocations are considerably smaller than those observed in small-twist systems. To reveal the translational invariance of the heterointerface responsible for the formation of such dislocations, we derive the translational symmetry of the GSFE of a 2D heterostructure using the notions of coincident site lattices (CSLs) and displacement shift complete lattices (DSCLs). The workhorse for this exercise is a recently developed Smith normal form bicrystallography framework. Next, we construct a bicrystallography-informed and frame-invariant Frenkel–Kontorova model, which can predict the formation of strain solitons in arbitrary 2D heterostructures, and apply it to study a heterostrained, large-twist bilayer graphene system. Our mesoscale model is found to produce results consistent with atomistic simulations. We anticipate that the model will be invaluable in predicting structural relaxation and for providing insights into various heterostructure systems, especially in cases where the fundamental unit cell is large and therefore, atomistic simulations are computationally expensive.

2D heterostructures↗

NASA NTRS1987

Mesoscale density variability in the mesosphere and thermosphere: Effects of vertical flow accelerations

A mechanistic one dimensional numerical (iteration) model was developed which can be used to simulate specific types of mesoscale atmospheric density (and pressure) variability in the mesosphere and the thermosphere, namely those due to waves and those due to vertical flow accelerations. The model was developed with the idea that it could be used as a supplement to the TGCMs (thermospheric general circulation models) since such models have a very limited ability to model phenomena on small spatial scales. The simplest case to consider was the integration upward through a time averaged, height independent, horizontally divergent flow field. Vertical winds were initialized at the lower boundary using the Ekman pumping theory over flat terrain. The results of the computations are summarized.

Revelle, D. O.↗

NASA NTRS1990

The fossil record of evolution: Data on diversification and extinction

The two principle efforts include: (1) a compilation of a synoptic, mesoscale data base on times of origination and extinction of animal genera in the oceans over the last 600 million years of geologic time; and (2) an analysis of statistical patterns in these data that relate to the diversification of complex life and to the occurrence of mass extinctions, especially those that might be associated with extraterrestrial phenomena. The data base is unique in its taxonomic scope and detail and in its temporal resolution. It is a valuable resource for investigating evolutionary expansions and extinctions of complex life.

Sepkoski, J. John, Jr.↗

NASA NTRS2014

Development and Implementation of Dynamic Scripts to Support Local Model Verification at National Weather Service Weather Forecast Offices

Local modeling with a customized configuration is conducted at National Weather Service (NWS) Weather Forecast Offices (WFOs) to produce high-resolution numerical forecasts that can better simulate local weather phenomena and complement larger scale global and regional models. The advent of the Environmental Modeling System (EMS), which provides a pre-compiled version of the Weather Research and Forecasting (WRF) model and wrapper Perl scripts, has enabled forecasters to easily configure and execute the WRF model on local workstations. NWS WFOs often use EMS output to help in forecasting highly localized, mesoscale features such as convective initiation, the timing and inland extent of lake effect snow bands, lake and sea breezes, and topographically-modified winds. However, quantitatively evaluating model performance to determine errors and biases still proves to be one of the challenges in running a local model. Developed at the National Center for Atmospheric Research (NCAR), the Model Evaluation Tools (MET) verification software makes performing these types of quantitative analyses easier, but operational forecasters do not generally have time to familiarize themselves with navigating the sometimes complex configurations associated with the MET tools. To assist forecasters in running a subset of MET programs and capabilities, the Short-term Prediction Research and Transition (SPoRT) Center has developed and transitioned a set of dynamic, easily configurable Perl scripts to collaborating NWS WFOs. The objective of these scripts is to provide SPoRT collaborating partners in the NWS with the ability to evaluate the skill of their local EMS model runs in near real time with little prior knowledge of the MET package. The ultimate goal is to make these verification scripts available to the broader NWS community in a future version of the EMS software. This paper provides an overview of the SPoRT MET scripts, instructions for how the scripts are run, and example use cases.

Zavordsky, Bradley↗

NASA NTRS2014

Development and Implementation of Dynamic Scripts to Support Local Model Verification at National Weather Service Weather Forecast Offices

Zavodsky, Bradley↗

NASA NTRS1981

Artificial stereo presentation of meteorological data fields

The innate capability to perceive three-dimensional stereo imagery has been exploited to present multidimensional meteorological data fields. Variations on an artificial stereo technique first discussed by Pichel et al. (1973) are used to display single and multispectral images in a vivid and easily assimilated manner. Examples of visible/infrared artificial stereo are given for Hurricane Allen and for severe thunderstorms on 10 April 1979. Three-dimensional output from a mesoscale model also is presented. The images may be viewed through the glasses inserted in the February 1981 issue of the Bulletin of the American Meteorological Society, with the red lens over the right eye. The images have been produced on the interactive Atmospheric and Oceanographic Information Processing System (AOIPS) at Goddard Space Flight Center. Stereo presentation is an important aid in understanding meteorological phenomena for operational weather forecasting, research case studies, and model simulations.

Hasler, A. F.↗

DOE OSTI2021

A Minimal Information Set To Enable Verifiable Theoretical Battery Research

Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various theoretical descriptions exist to understand their behavior (3-5) ranging from atomistic details to techno-economic trends. As we explore advanced battery chemistries (6,7) or previously inaccessible aspects of existing ones, (8-10) new theories are required to drive decisions. (11-13) The decisions are influenced by the limitations of the underlying theory. Advanced theories used to understand battery phenomena are complicated and require substantial effort to reproduce. However, such constraints should not limit the insights from these theories. We can strive to make the theoretical research verifiable such that any battery stakeholder can assess the veracity of new theories, sophisticated simulations or elaborate analyses. We distinguish verifiability, which amounts to “Can I trust the results, conclusions and insights and identify the context where they are relevant?”, from reproducibility, which ensures “Would I get the same results if I followed the same steps?” With this motivation, we propose a checklist to guide future reports of theoretical battery research in Table 1. We hereafter discuss our thoughts leading to this and how it helps to consistently document necessary details while allowing complete freedom for creativity of individual researchers. Given the differences between experimental and theoretical studies, the proposed checklist differs from its experimental counterparts. (14,15) This checklist covers all flavors of theoretical battery research, ranging from atomic/molecular calculations (16-19) to mesoscale (20,21) and continuum-scale interactions, (9,22) and techno-economic analysis. (23,24) Finally, as more and more experimental studies analyze raw data, (25) we feel this checklist would be broadly relevant.

25 ENERGY STORAGE↗

NASA NTRS2008

Weather Research and Forecasting Model Wind Sensitivity Study at Edwards Air Force Base, CA

NASA prefers to land the space shuttle at Kennedy Space Center (KSC). When weather conditions violate Flight Rules at KSC, NASA will usually divert the shuttle landing to Edwards Air Force Base (EAFB) in Southern California. But forecasting surface winds at EAFB is a challenge for the Spaceflight Meteorology Group (SMG) forecasters due to the complex terrain that surrounds EAFB, One particular phenomena identified by SMG is that makes it difficult to forecast the EAFB surface winds is called "wind cycling". This occurs when wind speeds and directions oscillate among towers near the EAFB runway leading to a challenging deorbit bum forecast for shuttle landings. The large-scale numerical weather prediction models cannot properly resolve the wind field due to their coarse horizontal resolutions, so a properly tuned high-resolution mesoscale model is needed. The Weather Research and Forecasting (WRF) model meets this requirement. The AMU assessed the different WRF model options to determine which configuration best predicted surface wind speed and direction at EAFB, To do so, the AMU compared the WRF model performance using two hot start initializations with the Advanced Research WRF and Non-hydrostatic Mesoscale Model dynamical cores and compared model performance while varying the physics options.

Watson, Leela R.↗

NASA NTRS2015

Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition, after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

Liou, Frank↗

NASA NTRS2000

Evolution and Mean Properties of Convective Systems in Southwestern Amazonia During TRMM-LBA

During the wet season TRMM field campaign in Rondonia, Brazil, a variety of convective systems were sampled by radar, sounding, and geostationary satellite for a 60 day period in early 1999. Local variations in the local wind and humidity field have been attributed in part by this study to synoptic scale phenomena, most conspicuously the establishment of stationary frontal systems penetrating into the tropics. These baroclinic systems induced periodic episodes low level moist, westerly flow across Rondonia during the experiment. This flow feature may be an important component of the South American climate system by playing a role in maintaining the South Atlantic Convergence Zone, which was active during these local westerly wind events. It is therefore important to understand the differences in mesoscale properties of convective systems between the westerly wind periods and intervening easterly wind periods. Differences in shear and moisture characteristics (Halverson et al. 2000, this meeting) are compared to structural and life-cycle characteristics of convective systems in Rondonia. Data from ground based radar and geostationary satellite provide a view of the evolution of the vertical structure and horizontal morphology of several large mesoscale convective systems in each regime. Preliminary statistics on the diurnal variation of precipitation intensity, areal coverage, and cloud top area are presented. Results suggest that long-lived, shallow convective systems with a large stratiform component of precipitation are characteristic of the westerly wind periods. A goal of this study is to establish a basis for which to parameterize the mesoscale effects of convection on large scale features of the South American climate system.

Rickenbach, Thomas M.↗

DOE OSTI2021

Ferroelectric phase-transition frustration near a tricritical composition point

Phase transition describes a mutational behavior of matter states at a critical transition temperature or external field. Despite the phase-transition orders are well sorted by classic thermodynamic theory, ambiguous situations interposed between the first- and second-order transitions were exposed one after another. Here, we report discovery of phase-transition frustration near a tricritical composition point in ferroelectric Pb(Zr 1-x Ti x )O 3 . Our multi-scale transmission electron microscopy characterization reveals a number of geometrically frustrated microstructure features such as self-assembled hierarchical domain structure, degeneracy of mesoscale domain tetragonality and decoupled polarization-strain relationship. Associated with deviation from the classic mean-field theory, dielectric critical exponent anomalies and temperature dependent birefringence data unveil that the frustrated transition order stems from intricate competition of short-range polar orders and their decoupling to long-range lattice deformation. With supports from effective Hamiltonian Monte Carlo simulations, our findings point out a potentially universal mechanism to comprehend the abnormal critical phenomena occurring in phase-transition materials.

42 ENGINEERING↗

DOE OSTI2022

Engineering & Microstructure Scale PIE Report on EBR-II X441A Metallic Fuel Pins for the MORPH Experiment

The objectives of this project are to increase fundamental understanding of irradiation induced metallic U-Pu-Zr fuel behavior and to obtain data needed for the development of irradiation models for metallic fuels in MARMOT. The requested metallic fuel pins are from the X441A experiment irradiated in Experimental Breeder Reactor (EBR)-II and will be provided by the PIs for the duration of the experiment. The purpose of the pins irradiated in the X441A assembly was to vary Zr composition and fuel slug diameter in order to provide data for the metallic fuel performance code “LIFEMETAL” [ANL-IFR-125]. The fuels of interest to this project are metallic fuels with several Zr compositions (in wt.%): U-19Pu-6Zr, U-19Pu-10Zr, and U-19Pu-14Zr, which were irradiated to a peak burnup of approximately 11 at.%. The cladding was the same for all three fuel pins (austenitic stainless steel D9), which allows investigation of fuel-cladding interaction (FCI) phenomena. Varying Zr content in fuel pins enables investigation of the effect of Zr on fuel restructuring and fuel-cladding compatibility. Engineering and microstructure scale PIE activities will be focused on investigation of fundamental aspect of fuel performance such as species diffusion and migration, fission product behavior, and constituent redistribution. Obtained microstructural information will be used as the basis for the development of MARMOT models of U-Pu-Zr fuel performance at the mesoscale. Experimental data obtained through this proposal will be used to provide this fundamental understanding which will serve as the foundation of the development of radiation models for U-Pu-Zr in MARMOT. It will also provide a starting point for the design of new experiments to provide data for the validation of these MARMOT models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1983

A long-lived mesoscale convective complex. II - Evolution and structure of the mature complex

The present investigation is concerned with an eight-day episode, during which a series of mesoscale convective complexes (MCC) developed and moved across the country, producing heavy rain and some flooding over an extensive region. An overview of the considered period from August 3 to August 10, 1977 is presented, and the evolution of the August 4 storm is examined. The structure of the mature MCC is discussed, taking into account the August 4-5 storm, a comparative case involving the August 3-4 storm, and an evaluation of the observed phenomena. It is concluded that MCCs are basically tropical in nature and that their dynamics are dominated by buoyant accelerations. It was found that the MCCs developed a warm-core, divergent anticyclonic flow pattern in the upper troposphere which was not present prior to the development of convection. A similar structure is observed in tropical cloud clusters.

Wetzel, P. J.↗

NASA NTRS1985

Numerical simulations of a transverse indirect circulation and low-level jet in the exit region of an upper-level jet

A numerical study was performed of a severe weather event (tornado) which occurred on May 10, 1973 in the Ohio region. The situation was modeled with a primitive equation mesoscale dynamic formulation. Account was taken of precipitation, the planetary boundary layer parameters as bulk quantities, the vertical pressure gradient, and lateral boundary conditions based on radiosonde data. Two 12-hr simulations, adiabatic and nondivergent, respectively, were analyzed for relationships between upper and lower level jets. In the adiabatic formulation, a transverse circulation with a low level jet formed at the exit region of the upper level jet. The nondivergent situation led to similar, but weaker, phenomena. Both forms suggest that indirect circulation in the exit zone of an upper level jet is strongly influenced by the initial structure of the jet.

Brill, K. F.↗

NASA NTRS1978

Transport of contaminants in the planetary boundary layer

A planetary boundary layer model is described and used to simulate PBL phenomena including cloud formation and pollution transport in the San Francisco Bay Area. The effect of events in the PBL on air pollution is considered, and governing equations for the average momentum, potential temperature, water vapor mixing ratio, and air contaminants are presented. These equations are derived by integrating the basic equations vertically through the mixed layer. Characteristics of the day selected for simulation are reported, and the results suggest that the diurnally cyclic features of the mesoscale motion, including clouds and air pollution, can be simulated in a readily interpretable way with the model.

Lee, I. Y.↗

DOE OSTI2021

Optical-Frequency Magnetic Polarizability in a Layered Semiconductor

The optical response of crystals is most commonly attributed to electric dipole interactions between light and matter. Although metamaterials support “artificial” magnetic resonances supported by mesoscale structuring, there are no naturally occurring materials known to exhibit a nonzero optical-frequency magnetic polarizability. Here, we experimentally demonstrate and quantify a naturally occurring nonzero magnetic polarizability in a layered semiconductor system: two-dimensional (Ruddlesden-Popper phase) hybrid organic-inorganic perovskites. These results demonstrate the only known material with an optical-frequency permeability that differs appreciably from vacuum, informing future efforts to find, synthesize, or exploit atomic-scale optical magnetism for novel optical phenomena such as negative index of refraction and electromagnetic cloaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗