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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 NTRS1974

A theoretical model of the wave particle interaction of plasma in space

A theoretical model, based on the kinetic theory for the perturbation of plasma in the magnetosphere, is proposed to study the observed disturbances which are caused by both natural and artificial sources that generate wave-like perturbations propagating around the globe. The proposed model covers the wave propagation through a media of transitional (from collisional to collisionless) fully ionized magnetoactive plasma. A systematic formulation of the problem is presented and the method of solution for the transitional model of magnetosphere is discussed. The possible emission of hydromagnetic waves in the magnetosphere during the quiet and disturbed time are also discussed.

Wu, S. T.↗

NASA NTRS1992

A model of the galactic tidal interaction with the Oort comet cloud

A model of the in situ Oort cloud which is isotropic with a random distribution of perihelia directions and angular momenta is considered. The energy distribution adopted has a continuous range of values appropriate for long-period (greater than 200 yr) comets. The evolution of 1,000,000 comets are tracked as they are made observable by the galactic tidal torque. Detailed results are obtained for the predicted distribution of new comets. Predictions of observed distributions are presented and compared with the random in situ results as well as with the actual observed distributions of class I comets. The predictions are in reasonable agreement with actual observations and, in many cases, are significantly different from random when perihelia directions are separated into galactic northern and southern hemispheres.

Matese, John J.↗

DOE OSTI2024

A conservative discontinuous-Galerkin-in-time (DGiT) multirate time integration framework for interface-coupled problems with applications to solid–solid interaction and air–sea models

In this paper we extend the DGiT multirate framework, developed in Connors and Sockwell (2022) for scalar transmission problems, to a solid–solid interaction (SSI) problem involving two coupled elastic solids and a coupled air–sea model with the rotating, thermal shallow water equations. In so doing we aim to demonstrate the broad applicability of the mathematical theory and governing principles established in Connors and Sockwell (2022) to coupled problems characterized by subproblems evolving at different temporal scales. Further, multirate time integration algorithms employing different time steps, optimized for the dynamics of each subproblem, can significantly improve simulation efficiency for such coupled problems. However, development of multirate algorithms is a highly non-trivial task due to the coupling, which can impact accuracy, stability or other desired properties such as preservation of system invariants. DGiT provides a general template for multirate time integration that can achieve these properties. To elucidate the manner in which DGiT accomplishes this task, we fully detail each step in the application of the framework to the SSI and air–sea coupled problems. Numerical examples illustrate key properties of the resulting multirate schemes for both problems.

42 ENGINEERING↗

NASA NTRS1986

Comet-solar wind interaction - Dynamical length scales and models

ICE magnetometer measurements at Comet Giacobini-Zinner and model simulations of comet-solar wind interactions are analyzed. The magnetometer data reveal the existence of intense hydromagnetic turbulence, a draping of the magnetic field lines to form a magnetotail, a weak shock, and a magnetic barrier region in the magnetosphere. The global models of the comet-solar wind interaction are described. The observed data and models are compared and good correlation is displayed.

Mendis, D. A.↗

NASA NTRS2019

Evaluation of a Commercial Surface Vorticity Flow Solver for the Modeling of Propeller-Wing Interaction

A commercially available surface vorticity flow solver’s ability to model propeller-wing interaction effects was evaluated. First, a study was conducted to determine solution sensitivity to simulation parameters. Then, a deflected slipstream experiment was replicated with an actuator disk and wing model. Comparison with experimental data showed that predictions of lift and longitudinal force coefficients matched well at low flap deflections, but experienced offsets in magnitude with increasing flap deflection. Predictions of pitching moment differed significantly from experimental data largely due to the simple actuator disk model being insufficient for capturing the effects of non-zero flow incidence and non-uniform inflow.

Fei, Xiaofan↗

NASA NTRS1998

Modeling Climate-Biosphere Interactions in the Boreal Forest

The overall goal of this BOREAS Program was to develop, test, and apply a model of the carbon balance of boreal forest sites with a significant groundcover component (moss or lichen). The basic question addressed with this model was: What is the sensitivity of the boreal forest carbon balance to weather variability? More specifically: What are the differences in the sensitivities of carbon gains (photosynthesis) and carbon losses (respiration) of the various components of the ecosystem? Are there different seasonalities to their sensitivities (e.g., warmer springs will have one effect, warmer summers a different effect)? What are the effects of different patterns of successive weather years (wet/dry, warm/cool)? What, for example, would be the difference in effects of two "warmer than normal" months-one with each day warmer than normal, and the other with three normal weeks and one very hot week? Due to weather variability, how "noisy" will any carbon flux or carbon pool signal be that we might use to try to detect change? The project resulted in the development of a new boreal forest ecosystem model. This model was the first model in the BOREAS project to look closely at the role of mosses in the ecosystem carbon balance, and also was the first model in the BOREAS project to look closely at interannual variability in carbon fluxes. Along with the work of many other groups, TE-19 modeling analysis pointed to the need for a second, longer field season in 1996, with particular focus on the spring and fall transitions and on ground vegetation. BOREAS groups TE-19 (Frolking), TGB-1 (Crill) & TGB-3 (Moore & Roulet) analyzed BOREAS data and other published and unpublished data to develop a relationship between peatland ecosystem productivity and incoming radiation, which is quite distinct from the upland ecosystem relationships observed in other studies.

Frolking, Steve↗

DOE OSTI2021

Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights

Covalent functionalization of single-walled carbon nanotubes (SWCNTs) with organic molecules results in red-shifted emissive states associated with sp 3 -defects in the tube lattice, which facilitate their improved optical functionality, including single-photon emission. The energy of the defect-based electronic excitations (excitons) depends on the molecular adducts, the configuration of the defect, and concentration of defects. In this work, we model the interactions between two sp 3 -defects placed at various distances in the (6,5) SWCNT using time-dependent density functional theory. Calculations reveal that these interactions conform to the effective model of J-aggregates for well-spaced defects (>2 nm), leading to a red-shifted and optically allowed (bright) lowest energy exciton. H-aggregate behavior is not observed for any defect orientations, which is beneficial for emission. The splitting between the lowest energy bright and optically forbidden (dark) excitons and the pristine excitonic band are controlled by the single-defect configurations and their axial separation. These findings enable a synthetic design strategy for SWCNTs with tunable near-infrared emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Integrability breaking in the Rule 54 cellular automaton

Cellular automata have recently attracted a lot of attention as testbeds to explore the emergence of many-body quantum chaos and hydrodynamics. We consider the Rule 54 model, one of the simplest interacting integrable models featuring two species of quasiparticles (solitons), in the presence of an integrability-breaking perturbation that allows solitons to backscatter. Here, we study the onset of thermalization and diffusive hydrodynamics in this model, compute perturbatively the diffusion constant of tracer particles, and comment on its relation to transport coefficients.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Variational Discrete Action Theory

In this work, we propose the variational discrete action theory (VDAT) to study the ground state properties of quantum many-body Hamiltonians. VDAT is a variational theory based on the sequential product density matrix (SPD) ansatz, characterized by an integer $\mathscr{N}$, which monotonically approaches the exact solution with increasing $\mathscr{N}$. To evaluate the SPD, we introduce a discrete action and a corresponding integer time Green’s function. We use VDAT to exactly evaluate the SPD in two canonical models of interacting electrons: the Anderson impurity model and the d = ∞ Hubbard model. For the latter, we evaluate $\mathscr{N}$ = 2 – 4, where $\mathscr{N}$ = 2 recovers the Gutzwiller approximation (GA), and we show that $\mathscr{N}$ = 3, which exactly evaluates the Gutzwiller-Baeriswyl wave function, provides a truly minimal yet precise description of Mott physics with a cost similar to that of the GA. VDAT is a flexible theory for studying quantum Hamiltonians, competing both with state-of-the-art methods and simple, efficient approaches all within a single framework.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1999

The Martian Radiation Environment from Orbit and on the Surface

A good knowledge of the Martian radiation environment and its interactions with Mars is needed for many reasons. It is needed to help unfold the results of the Mars-2001 orbiter's gamma-ray spectrometer (GRS) and neutron spectrometers (NS) to determine elemental abundances on the Martian surface. It is needed to interpret the measurements of the Martian Radiation Environment Experiments (MARIE) on both the Mars 2001 orbiter and lander. It is needed to calculate production rates of cosmogenic nuclides that will be measured in samples returned from Mars. It is needed to determine the doses that astronauts would receive in Martian orbit and especially on the surface of Mars. We discuss the two types of energetic particles in the vicinity of Mars and the nature of their interactions. Solar energetic particles (SEPs) occur very rarely but can have high fluxes that are dangerous in space. However, their energies are low enough that few solar energetic particles reach the surface of Mars. Their interactions can be fairly easily modeled because SEPs create few secondary particles. Galactic cosmic rays (GCRs) have high energies and are the dominant source of energetic particles on the Martian surface, mainly secondary neutrons. Modeling their interactions is complicated because of the range of nuclei in the GCR and their high energies. Work at Los Alamos on GCR interactions will be presented.

Reedy, R. C.↗

NASA NTRS1987

Steady state flow/field model of solar wind interaction with Venus - Global implications of local effects

Physical and chemical processes in the Venus ionosphere driven by the interaction of the solar wind with the atmosphere of Venus are described, and a model describing the interrelationships of these processes in a self-consistent manner is formulated. It is shown that the magnetic field configuration of the ionosphere is a steady state global structure which results from a combination of a large-scale 'open' current system connecting through the ionopause to the postshock solar wind and two small-scale 'closed' current systems entirely confined within the ionosphere and generated by ionospheric flows and shears. A previously detected ionospheric layer in O2(+) near 170 km altitude is shown to be a new type of ionospheric layer resulting from transition of solar-wind-driven vertical flow to velocities approaching Mach 1.

Cloutier, P. A.↗

DOE OSTI2024

Evaluating SWAT + model uncertainties for human and natural outcomes: Application in a Great Lakes agricultural watershed

Nutrient exports from agricultural lands in the Great Lakes Region pose significant threats to water quality and ecological health through eutrophication, hypoxia, and harmful algal blooms. Climate change and agricultural adaptation practices complicate future nutrient loading due to intensified hydrologic cycles and land use decisions. Our research focuses on evaluating the Soil and Water Assessment Tool (SWAT) plus model parametric uncertainties for human and natural outcomes across different scales. These factors are integral to ensuring a balance between productive agricultural practices and maintaining the health of watershed hydrology. However, uncertainties in modeling such complex interactions pose significant challenges, limiting our ability to precisely determine critical factors that influence crop yield and soil moisture. Our analysis employs Sobol global sensitivity analysis to evaluate first-order, second order, and total-order indices for SWAT crop growth parameter, ensuring comprehensive assessment of individual and interactive effects on model outputs. The objective is to identify the parameters that significantly affect model outputs for crop yield and soil moisture and improve our understanding of their interactions at the basin and hydrological response unit (HRU) scale. Our case study, the Portage River Watershed, which drains into Lake Erie, is chosen to better capture finer scale interactions crucial for predicting nutrient loading under future climate scenarios. This foundational work is aimed at setting the stage for the future development of an agent-based model (ABM). The ABM model would incorporate SWAT outputs to dynamically simulate decision-making processes.

Bunyon, Enock↗

NASA NTRS1985

A ray tracing model of gravity wave propagation and breakdown in the middle atmosphere

Gravity wave ray tracing and wave packet theory is used to parameterize wave breaking in the mesosphere. Rays are tracked by solving the group velocity equations, and the interaction with the basic state is determined by considering the evolution of the packet wave action density. The ray tracing approach has a number of advantages over the steady state parameterization as the effects of gravity wave focussing and refraction, local dissipation, and wave response to rapid changes in the mean flow are more realistically considered; however, if steady state conditions prevail, the method gives identical results. The ray tracing algorithm is tested using both interactive and noninteractive models of the basic state. In the interactive model, gravity wave interaction with the polar night jet on a beta-plane is considered. The algorithm produces realistic polar night jet closure for weak topographic forcing of gravity waves. Planetary scale waves forced by local transfer of wave action into the basic flow in turn transfer their wave action into the zonal mean flow. Highly refracted rays are also found not to contribute greatly to the climatology of the mesosphere, as their wave action is severely reduced by dissipation during their lateral travel.

Schoeberl, M. R.↗

NASA NTRS1988

The GISS global climate-middle atmosphere model. II - Model variability due to interactions between planetary waves, the mean circulation and gravity wave drag

The variability which arises in the GISS Global Climate-Middle Atmosphere Model on two time scales is reviewed: interannual standard deviations, derived from the five-year control run, and intraseasonal variability as exemplified by statospheric warnings. The model's extratropical variability for both mean fields and eddy statistics appears reasonable when compared with observations, while the tropical wind variability near the stratopause may be excessive possibly, due to inertial oscillations. Both wave 1 and wave 2 warmings develop, with connections to tropospheric forcing. Variability on both time scales results from a complex set of interactions among planetary waves, the mean circulation, and gravity wave drag. Specific examples of these interactions are presented, which imply that variability in gravity wave forcing and drag may be an important component of the variability of the middle atmosphere.

Rind, D.↗

NASA NTRS2005

A Hierarchical Modeling Study of the Interactions Among Turbulence, Cloud Microphysics, and Radiative Transfer in the Evolution of Cirrus Clouds

This project used a hierarchy of cloud resolving models to address the following science issues of relevance to CRYSTAL-FACE: What ice crystal nucleation mechanisms are active in the different types of cirrus clouds in the Florida area and how do these different nucleation processes influence the evolution of the cloud system and the upper tropospheric humidity? How does the feedback between supersaturation and nucleation impact the evolution of the cloud? What is the relative importance of the large-scale vertical motion and the turbulent motions in the evolution of the crystal size spectra? How does the size spectra impact the life-cycle of the cloud, stratospheric dehydration, and cloud radiative forcing? What is the nature of the turbulence and waves in the upper troposphere generated by precipitating deep convective cloud systems? How do cirrus microphysical and optical properties vary with the small-scale dynamics? How do turbulence and waves in the upper troposphere influence the cross-tropopause mixing and stratospheric and upper tropospheric humidity? The models used in this study were: 2-D hydrostatic model with explicit microphysics that can account for 30 size bins for both the droplet and crystal size spectra. Notably, a new ice crystal nucleation scheme has been incorporated into the model. Parcel model with explicit microphysics, for developing and evaluating microphysical parameterizations. Single column model for testing bulk microphysics parameterizations

Curry, Judith↗

NASA NTRS2023

Analytical model of foreshock ion interaction with a discontinuity: A statistical study

When a solar wind discontinuity interacts with foreshock ions, foreshock transients such as hot flow anomalies and foreshock bubbles can form. These create significant dynamic pressure perturbations disturbing the bow shock, magnetopause, and magnetosphere-ionosphere system. However, presently these phenomena are not predictable. In the accompanying paper, we derived analytical equations of foreshock ion partial gyration around a discontinuity and the resultant current density. In this study, we utilize the derived current density strength to model the energy conversion from the foreshock ions, which drives the outward motion or expansion of the solar wind plasma away from the discontinuity. We show that the model expansion speeds match those from local hybrid simulations for varying foreshock ion parameters. Using MMS, we conduct a statistical study showing that the model expansion speeds are moderately correlated with the magnetic field strength variations and the dynamic pressure decreases around discontinuities with correlation coefficients larger than 0.5. We use conjunctions between ARTEMIS and MMS to show that the model expansion speeds are typically large for those already-formed foreshock transients. Our results show that our model can be reasonably successful in predicting significant dynamic pressure disturbances caused by foreshock ion-discontinuity interactions. We discuss ways to improve the model in the future.

Terry Z. Liu↗

NASA NTRS1997

Degradation of Perfluorinated Ether Lubricants on Pure Aluminum Surfaces: Semiempirical Quantum Chemical Modeling

The AM1 semiempirical quantum chemical method was used to model the interaction of perfluoroethers with aluminum surfaces. Perfluorodimethoxymethane and perfluorodimethyl ether were studied interacting with aluminum surfaces, which were modeled by a five-atom cluster and a nine-atom cluster. Interactions were studied for edge (high index) sites and top (low index) sites of the clusters. Both dissociative binding and nondissociative binding were found, with dissociative binding being stronger. The two different ethers bound and dissociated on the clusters in different ways: perfluorodimethoxymethane through its oxygen atoms, but perfluorodimethyl ether through its fluorine atoms. The acetal linkage of perfluorodimeth-oxymethane was the key structural feature of this molecule in its binding and dissociation on the aluminum surface models. The high-index sites of the clusters caused the dissociation of both ethers. These results are consistent with the experimental observation that perfluorinated ethers decompose in contact with sputtered aluminum surfaces.

Slaby, Scott M.↗

DOE OSTI2025

Representing Soil Microbial Dynamics and Organo‐Mineral Interactions in the E3SM Land Model (ELM‐ReSOM)

Explicit representation of soil microbial processes and interactions with biotic and abiotic processes in Earth System Models (ESMs) remains limited, despite their importance in biogeochemical cycles. To address this gap, which hinders prediction of global biogeochemial cycling and responses to atmospheric conditions, we integrated a microbe- and mineral-surface-explicit model, the Reaction-network-based model of soil organic matter and Microbes (ReSOM), into the Energy Exascale ESM (E3SM) land model (ELM). Here, we describe ELM-ReSOM and show a case study at a conifer forest in California. ELM-ReSOM accurately simulated surface CO 2 fluxes and SOM stocks, demonstrating improved representations of microbial and mineral interactions compared to the default ELM. We examined ELM-ReSOM sensitivity to microbial traits, enzyme properties, and organo-mineral interactions. Microbial traits such as the maximum mortality rate, transporter-density scaling factor, and maximum monomer assimilation rate were strong controllers of heterotrophic respiration, while these microbial traits and enzyme-related properties collectively influenced SOM stocks. Mineral surfaces primarily affected SOM stocks by adsorbing enzymes, thereby limiting depolymerization. Synergies among processes led to stronger impacts of parameters when evaluated together versus separately (i.e., most parameters had greater indirect than direct effects). For example, due to interactions of microbial necromass with mineral surface adsorption, the indirect effect of the maximum microbial mortality rate was 33% larger than its direct effect on SOM stock. Thus, microbial and enzyme dynamics and their interactions with mineral surfaces play critical roles in SOM cycling. Tackling the challenges of microbe-explicit models will advance understanding and modeling of SOM dynamics.

Tao, Jing [Lawrence Berkeley National Laboratory (↗