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DOE OSTI2024

Connecting Nitrogen Transformations Mediated by the Rhizosphere Microbiome to Perennial Cropping System Productivity in Marginal Lands

The demand for energy from biofuel production is increasing, prompting concerns about the environmental impact and long-term sustainability of bioenergy cropping systems. These cropping systems will make up much of our future landscapes, and threaten to take the place of food cropping systems. Many life cycle analyses of bioenergy sustainability focus on carbon accrual and budgets, since they want to maximize carbon accrual while producing alternative fuel. Less attention has been given to nitrogen (N) dynamics in these systems. N is the most commonly limiting nutrient for plants, but applying nitrogen fertilizer- as we do for most cropping systems – is harmful to the environment, energetically costly, and produces greenhouse gases. In other words, adding nitrogen by fertilizer bioenergy systems could add to the very problems (climate change) it is trying to address. This is especially true for the areas that are proposed for bioenergy systems: marginal lands. These more degraded lands do not complete with food crops, but do have limited nitrogen. If we are to use these marginal lands for bioenergy, we need to understand the mechanisms regulating nutrient acquisition, and identify ways that bioenergy crops can get nitrogen in sustainable ways. Nutrient acquisition in the soil is performed by microbes in the root zone, or rhizosphere. Microbes can either mineralize nitrogen in the soil (from organic forms) or fix nitrogen from the air, in a process called nitrogen fixation. The goal of our project was thus to understand how the rhizosphere microbiome provides nutrients to bioenergy crops on marginal lands. We focus especially on the process of nitrogen fixation, since it has potential to get “fertilizer for free” that has much less environmental harm. We investigated this goal using sites from the DOE Great Lakes Bioenergy Research Center (GLBRC) in the upper Midwest, and associated lab and ‘omics methods. We group our findings into three major areas. First, we showed that nitrogen fixation, the conversion of N2 gas from the air to ammonium that is usable by plants, is performed in bioenergy soils, and benefits switchgrass crops. While more well-studied in leguminous plants, free-living nitrogen fixation can occur in some systems, and represents a potential opportunity to gain ‘free’ sustainable nitrogen source. We identified the nitrogen fixing bacteria that were most active in providing switchgrass with N, and showed that the drivers of nitrogen fixation occurred at a microscale; it is not well-predicted by bulk variables like soil moisture or plant phenology. Second, we showed that nitrogen fixation is not suppressed by long-term fertilizer. We expected that plentiful nitrogen would reduce the symbiotic relationship between nitrogen fixers and plants, and ‘downregulate’ fixation. We did not find evidence for this, either after long-term fertilizer in the field, or short-term fertilizer in the greenhouse. Finally, we identified the root exudates, carbon compounds that are emitted from the root, that best stimulate nitrogen fixation. We found that carbohydrates were better at stimulating fixation than organic acids. We expected these exudates to be emitted from the plant in periods of high N demand, but we found they are emitted when N is plentiful. This suggests that the stimulation of N fixation by plants is a passive process. Overall, we show that nitrogen fixation has potential to support bioenergy cropping system, and future management could develop ways to maximize it. However, this may not be best achieved via the plant – we found very little evidence of a ‘transactional’ system by which plants are controlling when and where nitrogen fixation is stimulated. It will be better to understand how management practices like planting and fertilizer application affect the microscale soil dynamics, which will determine nitrogen fixation rates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Multiscale Cryo Electron Microscopy Reveals Interfacial Degradation and Stabilization in Battery Electrodes

Electrochemical interfaces are dynamic systems, evolving based on their local environment and reactant surface structures. The electrode-electrolyte interface in Li-ion batteries can be protective, limiting parasitic reactions with the electrolyte to passivate the surface [1]. Additionally, this interphase has an impact on the Li-ion transport through that layer based on its composition, bonding environment, and thickness. These parameters are challenging to collect and may vary depending on the electrode surface site investigated relative to its spatial position in a coin cell. This study will detail a multiscale cryogenic electron microscopy approach where millimeter-scale cross-sections through the coin cell batteries were made using a cryogenic stage within a fs-laser plasma focused ion beam (laser PFIB) with complementary energy dispersive X-ray spectroscopy able to detect variations in the composition at electrode interfaces [2]. Microscale cross-sectioning and lamella sample preparation of battery electrodes was conducted at the Center for Integrated Nanotechnologies using a Ga-ion focused ion beam (FIB) with air-free and cryo-transfer [3], followed by nanoscale mapping of composition and bonding within the CEI through cryo-scanning transmission electron microscopy (cryo-STEM) electron energy loss spectroscopy [4]. This multiscale approach enabled identification of millimeter-scale features of a battery stack with visualization of degradation in electrodes such as cracks in cathode particles, gas evolution, and SEI evolution; microscale interfacial characteristics, such as heterogeneity in the SEI or barrier layer and identification of electrolyte networks to the electrode surfaces; and nanoscale measurement of the CEI thickness, mapping of transition metal bonding within the cathode particles to identify loss of active materials, and identification of beneficial electrolyte additives incorporated into the CEI structure. This multiscale approach allows for a statistical understanding of the primary mechanisms and parasitic degradation pathways that impact performance by limiting the ion transport pathways within Li+ batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2026

High-Resolution Large-Eddy Simulations of Historical U.S. Gulf Coast Hurricanes

This dataset provides coupled mesoscale and microscale (large-eddy simulation; LES) atmospheric simulations of five historical U.S. Gulf Coast hurricanes. Meso-microscale coupled simulations of Hurricanes Harvey (2017), Nate (2017), Michael (2018), Laura (2020), and Delta (2020) were performed with the Weather Research and Forecasting (WRF) model v4.1.5. The mesoscale component captures the multi-day evolution of each storm's track, intensity, and large-scale structure across the Gulf of Mexico, while the LES component explicitly resolves the dominant turbulent eddies in the hurricane boundary layer at a horizontal grid spacing of 33.33 m. Together, these simulations characterize tropical cyclone wind fields across atmospheric scales ranging from ~100 km down to ~100 m, spanning storm intensities from Category 2 through Category 4 on the Saffir–Simpson scale. This dataset contains the Large-Eddy simulations. The data will be divided according to the storm intensity level at the simulation time. Category 2: Harvey, Nate Category 3: Michael, Delta Category 4: Michael, Laura

17 WIND ENERGY↗

DOE OSTI2026

High-Resolution Mesoscale Simulations of Historical U.S. Gulf Coast Hurricanes

17 WIND ENERGY↗

DOE OSTI2025

Tightening the thermodynamic uncertainty relations with null-entropy events: What we learn when nothing happens

Fluctuation theorems establish that thermodynamic processes at the microscale can occasionally result in negative entropy production. At the microscale, another distinct possibility becomes more likely: processes where no entropy is produced overall. In this work, we explore the constraints imposed by such null-entropy events on the fluctuations of thermodynamic currents. By incorporating the probability of null-entropy events, we obtain tighter bounds on finite-time thermodynamic uncertainty relations derived from fluctuation theorems. We validate this framework using an example of a qudit SWAP engine.

FOS: Physical sciences↗

NASA NTRS1973

Alfven waves in spiral interplanetary field

This paper presents a theoretical study of the Alfven waves in the spiral interplanetary magnetic field. The Alfven waves under consideration are arbitrary large-amplitude nonmonochromatic microscale waves of any polarization. They superpose on a mesoscale background flow of thermally anisotropic plasma. When the WKB approximation is used, an analytical solution for the amplitude vectors is obtained as a function of the background flow properties: density, velocity, Alfven speed, thermal anisotropy, and the spiral angle. The relative intensity of fluctuations compared with the magnitude of the background field has its maximum in the region near 1 AU. Thus outside of this region the solar wind is less turbulent. Owing to attenuation of microscale Alfven waves, fluctuation energy is converted into the kinetic energy of the solar wind.

Whang, Y. C.↗

NASA NTRS1976

An equivalent potential vorticity theory applied to the analysis and prediction of severe storm dynamics

Potential vorticity theory is developed in a description of an equivalent potential temperature topography, and a new theory suited to the description of scale interaction is elaborated. Macroscale triggering of ageostrophic flow fields at the mesoscale, in turn leading to release of convective instability along narrow zones at the microscale, is examined. Correlation of appreciable decrease in potential vorticity with such phenomena as cumulonimbi, tornados, and duststorms is examined. The relevance of a multiscale energy-momentum cascade in numerical prediction of severe mesoscale and microscale phenomena from radiosonde data is reviewed. Hypotheses for mesoscale dynamics are constructed.

Paine, D. A.↗

NASA NTRS1982

Microdistribution of oxygen in silicon and its effects on electronic properties

The effects of interstitial oxygen on the electrical characteristics of Czochralski-grown silicon crystals were investigated for the first time on a microscale. It was found that the generation of thermal donors is not a direct function of the oxygen concentration. It was further found that the minority carrier life-time decreases with increasing oxygen concentration, on a microscale in as-grown crystals. It was thus shown, again for the first time, that oxygen in as grown crystals is not electronically inert as generally believed. Preannealing at 1200 C commonly employed in device fabrication, was found to suppress the donor generation at 450 C and to decrease the deep level concentrations.

Gatos, H. C.↗

NASA NTRS1989

An embedded mesh procedure for leading-edge vortex flows

A cell-vertex scheme is outlined for solving the flow about a delta wing with M (sub infinity) is greater than 1. Embedded regions of mesh refinement allow solutions to be obtained which have much higher resolution than those achieved to date. Effects of mesh refinement and artificial viscosity on the solutions are studied, to determine at what point leading-edge vortex solutions are grid-converged. A macroscale and a microscale for the size of the vortex are defined, and it is shown that the macroscale (which includes the wing surface properties) is converged on a moderately refined grid, while the microscale is very sensitive to grid spacing. The level of numerical diffusion in the core of the vortex is found to be substantial. Comparisons with the experiment are made for two cases which have transonic cross-flow velocities.

Powell, Kenneth G.↗

NASA NTRS1990

Turbulence spectra of the FIRE stratocumulus-topped boundary layers

There are at least four physical phenomena which contribute to the FIRE boundary layer turbulence spectra: boundary layer spanning eddies resulting from buoyant and mechanical production of turbulent kinetic energy (the microscale subrange); inertial subrange turbulence which cascades this energy to smaller scales; quasi-two dimensional mesoscale variations; and gravity waves. The relative contributions of these four phenomena to the spectra depend on the altitude of observation and variable involved (vertical velocity, temperature and moisture spectra are discussed). The physical origins of these variations in relative contribution are discussed. As expected from the theory (Kaimal et al., 1976), mixed layer scaling of the spectra (i.e., nondimensionalizing wavelength by Z(sub i) and spectral density by Z(sub i) and the dissipation rates) is successful for the microscale subrange and inertial subrange but not for the mesoscale subrange. The most striking feature of the normalized vertical velocity spectra is the lack of any significant mesoscale contribution. The spectral peak results from buoyant and mechanical production on scales similar to the boundary layer depth. The decrease in spectral density at larger scales results from the suppression of vertical velocity perturbations with large horizontal scales by the shallowness of the atmosphere. The spectral density also decreases towards smaller scales following the well known inertial subrange slope. There is a significant variation in the shape of the normalized spectra with height.

Young, G. S.↗

NASA NTRS1991

Lagrangian and Eulerian statistics obtained from direct numerical simulations of homogeneous turbulence

Direct numerical simulation is used to study dispersion in decaying isotropic turbulence and homogeneous shear flow. Both Lagrangian and Eulerian data are presented allowing direct comparison, but at fairly low Reynolds number. The quantities presented include properties of the dispersion tensor, isoprobability contours of particle displacement, Lagrangian and Eulerian velocity autocorrelations and time scale ratios, and the eddy diffusivity tensor. The Lagrangian time microscale is found to be consistently larger than the Eulerian microscale, presumably due to the advection of the small scales by the large scales in the Eulerian reference frame.

Squires, Kyle D.↗

NASA NTRS1985

Severe wind flow of small spatial and temporal scales: The microburst and related phenomena

Low-altitude winds on the meso- and microscale are the primary focus of study for the Research Applications Program (RAP) of NCAR. Local weather features such as microbursts, microburst lines, gust fronts, and convergent wind boundaries have been observed and documented extensively. A microburst is a strong, small-scale convective storm outflow which diverges horizontally in all directions upon impact with the ground (Fujita, 1981). A microburst line is composed of two or more microbursts which occur either simultaneously or consecutively, and subsequently form a diverging line of outflow. The temporal and spatial scales of these phenomena are shown. Microbursts and microburst lines generally occur on both the meso- and microscale, while gust fronts and convergent wind boundaries overlap into the mesoscale. Microbursts, in particular, not only are small spatially but are also a short-lived phenomenon. Clearly, some of these features are on a much smaller spatial and temporal scale than can be resolved by a global wind measurement. During the past three years, three experiments were held in the Denver, CO, area to observe boundary-layer winds. Their main objectives were observation and documentation of those weather features discussed above. The Joint Airport Weather Studies (JAWS) Project, which ran in the summer of 1982, was set up to study microbursts. The Convective Initiation Project (1984) was designed to document clear-air convergent wind boundaries, including gust fronts, and their role in convective storm initiation. This project was immediately followed by the Classify, Locate, and Avoid Wind Shear experiment that expanded upon the work done in JAWS. Details on the scales of these weather features are presented. The wind sensors used to detect these phenomena are also discussed. Concluding comments address the usefulness of a global wind measurement system as it pertains to our local scale of interest.

Roberts, Rita D.↗

NASA NTRS1996

Analytical Methodology for Predicting the Onset of Widespread Fatigue Damage in Fuselage Structure

NASA has developed a comprehensive analytical methodology for predicting the onset of widespread fatigue damage in fuselage structure. The determination of the number of flights and operational hours of aircraft service life that are related to the onset of widespread fatigue damage includes analyses for crack initiation, fatigue crack growth, and residual strength. Therefore, the computational capability required to predict analytically the onset of widespread fatigue damage must be able to represent a wide range of crack sizes from the material (microscale) level to the global structural-scale level. NASA studies indicate that the fatigue crack behavior in aircraft structure can be represented conveniently by the following three analysis scales: small three-dimensional cracks at the microscale level, through-the-thickness two-dimensional cracks at the local structural level, and long cracks at the global structural level. The computational requirements for each of these three analysis scales are described in this paper.

Harris, Charles E.↗

NASA NTRS1996

The Development of Computational Techniques for the Nonlinear Analysis of Composite Structures at High Temperature

The objective of this research project was to develop robust and efficient computational tools for deformation and life analysis techniques. This included: development of viscoplastic continuum models, associated numerical integration techniques, suitable micromechanics models/methods, and coupled deformation and damage algorithms. The work was involved with models/methods applicable to composite structures on both microscale and macroscale levels. The microscale analysis utilized Aboudi's generalized method of cells (GMS) micromechanical model as well as finite element models of similar composite architectures, i.e., square and hexagonal fiber pack models.

Keith, Theo G., Jr.↗

NASA NTRS1998

A Kinematically Consistent Two-Point Correlation Function

A simple kinematically consistent expression for the longitudinal two-point correlation function related to both the integral length scale and the Taylor microscale is obtained. On the inner scale, in a region of width inversely proportional to the turbulent Reynolds number, the function has the appropriate curvature at the origin. The expression for two-point correlation is related to the nonlinear cascade rate, or dissipation epsilon, a quantity that is carried as part of a typical single-point turbulence closure simulation. Constructing an expression for the two-point correlation whose curvature at the origin is the Taylor microscale incorporates one of the fundamental quantities characterizing turbulence, epsilon, into a model for the two-point correlation function. The integral of the function also gives, as is required, an outer integral length scale of the turbulence independent of viscosity. The proposed expression is obtained by kinematic arguments; the intention is to produce a practically applicable expression in terms of simple elementary functions that allow an analytical evaluation, by asymptotic methods, of diverse functionals relevant to single-point turbulence closures. Using the expression devised an example of the asymptotic method by which functionals of the two-point correlation can be evaluated is given.

Ristorcelli, J. R.↗

NASA NTRS2003

Microfabricated Liquid Rocket Motors

Under NASA Glenn Research Center sponsorship, MIT has developed the concept of micromachined, bipropellant, liquid rocket engines. This is potentially a breakthrough technology changing the cost-performance tradeoffs for small propulsion systems, enabling new applications, and redefining the meaning of the term low-cost-access-to-space. With this NASA support, a liquid-cooled, gaseous propellant version of the thrust chamber and nozzle was designed, built, and tested as a first step. DARPA is currently funding MIT to demonstrate turbopumps and controls. The work performed herein was the second year of a proposed three-year effort to develop the technology and demonstrate very high power density, regeneratively cooled, liquid bipropellant rocket engine thrust chamber and nozzles. When combined with the DARPA turbopumps and controls, this work would enable the design and demonstration of a complete rocket propulsion system. The original MIT-NASA concept used liquid oxygen-ethanol propellants. The military applications important to DARPA imply that storable liquid propellants are needed. Thus, MIT examined various storable propellant combinations including N2O4 and hydrazine, and H2O2 and various hydrocarbons. The latter are preferred since they do not have the toxicity of N2O4 and hydrazine. In reflection of the newfound interest in H2O2, it is once again in production and available commercially. A critical issue for the microrocket engine concept is cooling of the walls in a regenerative design. This is even more important at microscale than for large engines due to cube-square scaling considerations. Furthermore, the coolant behavior of rocket propellants has not been characterized at microscale. Therefore, MIT designed and constructed an apparatus expressly for this purpose. The report details measurements of two candidate microrocket fuels, JP-7 and JP-10.

Epstein, Alan H.↗

NASA NTRS2001

Safer Aviation Materials Tested

A series of thermally stable polymer samples were tested. These materials are called low heat release materials and are designed for aircraft interior decorative materials. The materials are designed to give off a minimum amount of noxious gases when heated, which increases the possibility that people can escape from a burning aircraft. New cabin materials have suitably low heat release so that fire does not spread, toxic chemicals are not given off, and the fire-emergency escape time for crew and passengers is lengthened. These low heat-release materials have a variety of advantages and applications: interiors for ground-based facilities, interiors of space vehicles, and many commercial fire-protection environments. A microscale combustion calorimeter at the Federal Aviation Administration's (FAA) Technical Center tested NASA Langley Research Center materials samples. The calorimeter is shown. A sharp, quantitative, and reproducible heat-release-rate peak is obtained in the microscale heat-release-rate test. The newly tested NASA materials significantly reduced the heat release capacity and total heat release. The thermal stability and flammability behavior of the samples was very good. The new materials demonstrated a factor of 4 reduction in total heat release over ULTEM (a currently used material). This information is provided in the following barchart. In other tests, the materials showed greater than a factor 9 reduction in heat-release capacity over ULTEM. The newly tested materials were developed for low dielectric constant, low color, and good solubility. A scale up of the material samples is needed to determine the repeatability of the performance in larger samples. Larger panels composed of the best candidate materials will be tested in a larger scale FAA Technical Center fire facility. The NASA Glenn Research Center, Langley (Jeff Hinkley), and the FAA Technical Center (Richard Lyon) cooperatively tested these materials for the Accident Mitigation aspects of Fire Prevention under NASA's Aviation Safety Program.

Palaszewski, Bryan A.↗

NASA NTRS2010

Micromechanics-Based Structural Analysis (FEAMAC) and Multiscale Visualization within Abaqus/CAE Environment

A unified framework is presented that enables coupled multiscale analysis of composite structures and associated graphical pre- and postprocessing within the Abaqus/CAE environment. The recently developed, free, Finite Element Analysis--Micromechanics Analysis Code (FEAMAC) software couples NASA's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) with Abaqus/Standard and Abaqus/Explicit to perform micromechanics based FEA such that the nonlinear composite material response at each integration point is modeled at each increment by MAC/GMC. The Graphical User Interfaces (FEAMAC-Pre and FEAMAC-Post), developed through collaboration between SIMULIA Erie and the NASA Glenn Research Center, enable users to employ a new FEAMAC module within Abaqus/CAE that provides access to the composite microscale. FEA IAC-Pre is used to define and store constituent material properties, set-up and store composite repeating unit cells, and assign composite materials as sections with all data being stored within the CAE database. Likewise FEAMAC-Post enables multiscale field quantity visualization (contour plots, X-Y plots), with point and click access to the microscale i.e., fiber and matrix fields).

Arnold, Steven M.↗