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NASA NTRS1995

Fossilization Processes in Thermal Springs

To create a comparative framework for the study of ancient examples, we have been carrying out parallel studies of the microbial biosedimentology, taphonomy and geochemistry of modem and sub-Recent thermal spring deposits. One goal of the research is the development of integrated litho- and taphofacies models for siliceous and travertline sinters. Thermal springs are regarded as important environments for the origin and early evolution of life on Earth, and we seek to utilize information from the fossil record to reconstruct the evolution of high temperature ecosystems. Microbial contributions to the fabric of thermal spring sinters occur when population growth rates keep pace with, or exceed rates of inorganic precipitation, allowing for the development of continuous biofilms or mats. In siliceous thermal springs, microorganisms are typically entombed while viable. Modes of preservation reflect the balance between rates of organic matter degradation, silica precipitation and secondary infilling. Subaerial sinters are initially quite porous and permeable and at temperatures higher than about 20 C, organic materials are usually degraded prior to secondary infilling of sinter frameworks. Thus, organically-preserved microfossils are rare and fossil information consists of characteristic biofabrics formed by the encrustation and underplating of microbial mat surfaces. This probably accounts for the typically low total organic carbon values observed in thermal spring deposits. In mid-temperature, (approx. 35 - 59 C) ponds and outflows, the surface morphology of tufted Phormidium mats is preserved through mat underplating by thin siliceous: crusts. Microbial taxes lead to clumping of ceils and/or preferred filament orientations that together define higher order composite fabrics in thermal spring stromatolites (e.g. network, coniform, and palisade). At lower temperatures (less than 35 C), Calothrix mats cover shallow terracette pools forming flat carpets or pustular surfaces that produce palisade and "shrub" fabrics, respectively. At finer scales, composite fabrics are seen to consist distinctive associations of microstructures formed by the encrustation of individual cells and filaments. Composite fabrics survive the diagenetic transitions from primary opaline silica to quartz and are known from subaerial thermal spring deposits as old as Lower Carboniferous. However, fossil microorganisms tend to be rare in older deposits, and are usually preserved only where cells or sheaths have been stained by iron oxides. In subaqueous mineralizing springs at lower temperatures, early infilling leads to a more rapid and complete reduction in porosity and permeability. This process, along with the slower rates of microbial degradation at lower temperatures, creates a more favorable situation for organic matter preservation. Application of this taphonomic model to the Rhynie Chert, previously interpreted as subaerial, suggest it was probably deposited in a subaqueous spring setting at lower temperatures.

Farmer, Jack D.↗

DOE OSTI2021

Near and long-term perspectives on strategies to decarbonize China's heavy-duty trucks through 2050

China needs to drastically reduce carbon dioxide (CO 2 ) emissions from heavy-duty trucks (HDTs), a key emitter in the growing transport sector, in order to address energy security concerns and meet its climate targets. We address existing research gaps by modeling feasibility, applicability, and energy and emissions impacts of multiple decarbonization strategies at different points in time. China still relies heavily on coal power, so impacts of new HDT technologies depend on the timing of their introduction relative to progress toward non-fossil power. We use a bottom-up model to simulate HDT energy consumption and CO 2 emissions through 2050. Results show that beginning to deploy battery electric and fuel-cell HDTs as early as 2020 and 2035, respectively, could achieve significant and the largest CO 2 emissions reduction by 2050 with a decarbonized power sector. However, viable near-term strategies-improving efficiency and logistics, switching to liquefied natural gas-could halve HDTs' current diesel consumption and CO 2 emissions by 2050. Our results underscore the need for a mix of near- and long-term policy and technology options to decarbonize China's HDTs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Electronic structure and topology across T c in the magnetic Weyl semimetal Co 3 Sn 2 S 2

Co 3 Sn 2 S 2 is a magnetic Weyl semimetal, in which ferromagnetic ordering at 177 K is predicted to stabilize Weyl points. We perform temperature and spatial dependent angle--resolved photoemission spectroscopy measurements through the Curie temperature (T c ), which show large band shifts and renormalization concomitant with the onset of magnetism. We argue that Co 3 Sn 2 S 2 evolves from a Mott ferromagnet below T c to a correlated metallic state above T c . To understand the magnetism, we derive a tight-binding model of Co-3d x 2 -y 2 orbitals on the kagome lattice. At the filling obtained by first-principles calculations, this model reproduces the ferromagnetic ground state, and results in the reduction of Coulomb interactions due to cluster effects. Using a disordered local moment simulation, we show how this reduced Hubbard U leads to a collapse of the bands across the magnetic transition, resulting in a correlated state which carries associated characteristic photoemission signatures that are distinct from those of a simple lifting of exchange splitting. Finally, the behavior of topology across T c is discussed in the context of this description of the magnetism.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Development, Implementation, and Verification of Partially-Ionized Collisional Multifluid Plasma Models in Drekar

We consider the development of multifluid models for partially ionized multispecies plasmas. The models are composed of a standard set of five-moment fluid equations for each species plus a description of electromagnetics. The most general model considered utilizes a full set of fluid equations for each charge state of each atomic species, plus a set of fluid equations for electrons. The fluid equations are coupled through source terms describing electromagnetic coupling, ionization, recombination, charge exchange, and elastic scattering collisions in the low-density coronal limit. The form of each of these source terms is described in detail, and references for required rate coefficients are identified for a diverse range of atomic species. Initial efforts have been made to extend these models to incorporate some higher-density collisional effects, including ionization potential depression and three- body recombination. Some reductions of the general multifluid model are considered. First, a reduced multifluid model is derived which averages over all of the charge states (including neutrals) of each atomic species in the general multifluid model. The resulting model maintains full consistency with the general multifluid model from which it is derived by leveraging a quasi-steady-state collisional ionization equilibrium assumption to recover the ionization fractions required to make use of the general collision models. Further reductions are briefly considered to derive certain components of a single-fluid magnetohydrodynamics (MHD) model. In this case, a generalized Ohm's law is obtained, and the standard MHD resistivity is expressed in terms of the collisional models used in the general multifluid model. A number of numerical considerations required to obtain robust implementations of these multifluid models are discussed. First, an algebraic flux correction (AFC) stabilization approach for a continuous Galerkin finite element discretization of the multifluid system is described in which the characteristic speeds used in the stabilization of the fluid systems are synchronized across all species in the model. It is demonstrated that this synchronization is crucial in order to obtain a robust discretization of the multifluid system. Additionally, several different formulations are considered for describing the electromagnetics portion of the multifluid system using nodal continuous Galerkin finite element discretizations. The formulations considered include a parabolic divergence cleaning method and an implicit projection method for the traditional curl formulation of Maxwell's equations, a purely- hyperbolic potential-based formulation of Maxwell's equations, and a mixed hyperbolic-elliptic potential-based formulation of Maxwell's equations. Some advantages and disadvantages of each formulation are explored to compare solution robustness and the ease of use of each formulation. Numerical results are presented to demonstrate the accuracy and robustness of various components of our implementation. Analytic solutions for a spatially homogeneous damped plasma oscillation are derived in order to verify the implementation of the source terms for electromagnetic coupling and elastic collisions between fluid species. Ionization balance as a function of electron temperature is evaluated for several atomic species of interest by comparing to steady-state calculations using various sets of ionization and recombination rate coefficients. Several test problems in one and two spatial dimensions are used to demonstrate the accuracy and robustness of the discretization and stabilization approach for the fluid components of the multifluid system. This includes standard test problems for electrostatic and electromagnetic shock tubes in the two-fluid and ideal shock-MHD limits, a cylindrical diocotron instability, and the GEM challenge magnetic reconnection problem. A one-dimensional simplified prototype of an argon gas puff configuration as deployed on Sandia's Z-machine is used as a demonstration to exercise the full range of capabilities associated with the general multifluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1980

Analytical investigation of fan tone noise due to ingested atmospheric turbulence

The atmospheric turbulence involved in the fan noise generation is evaluated with an existing model for the atmospheric turbulence and an extended version of an existing model concerned with the effects of a flow contraction on convected turbulence. Fan tone noise due to ingested atmospheric turbulence is evaluated with existing fan noise models. The results indicate that the difference in fan narrowband noise due to atmospheric turbulence between static and flight landing approach conditions is in the order of 30 dB. It is concluded that fan noise due to atmospheric turbulence is insignificant in flight conditions for the fans used in the current high bypass ratio engines. The difference in fan narrowband noise between the two conditions is primarily due to the low intensity of the turbulence involved in fan noise generation in flight conditions. Fan noise due to atmospheric turbulence in static conditions should be reduced below the flight fan broadband noise levels which is best achieved with a reduction in the intensity of the fan inflow turbulence. Such a reduction can be obtained with the use of an inflow control device, low wind velocities, small surface roughness in the test stand environment, and large engine axis height above the ground. Peak sound power levels for fan tone noise due to ingested turbulence occur for transverse integral scales in the order of 25% of the rotor blade spacing in the fan tip region.

Ganz, U. W.↗

NASA NTRS1985

Least squares collocation applied to local gravimetric solutions from satellite gravity gradiometry data

An autonomous spaceborne gravity gradiometer mission is being considered as a post Geopotential Research Mission project. The introduction of satellite diometry data to geodesy is expected to improve solid earth gravity models. The possibility of utilizing gradiometer data for the determination of pertinent gravimetric quantities on a local basis is explored. The analytical technique of least squares collocation is investigated for its usefulness in local solutions of this type. It is assumed, in the error analysis, that the vertical gravity gradient component of the gradient tensor is used as the raw data signal from which the corresponding reference gradients are removed to create the centered observations required in the collocation solution. The reference gradients are computed from a high degree and order geopotential model. The solution can be made in terms of mean or point gravity anomalies, height anomalies, or other useful gravimetric quantities depending on the choice of covariance types. Selected for this study were 30 x 30 foot mean gravity and height anomalies. Existing software and new software are utilized to implement the collocation technique. It was determined that satellite gradiometry data at an altitude of 200 km can be used successfully for the determination of 30 x 30 foot mean gravity anomalies to an accuracy of 9.2 mgal from this algorithm. It is shown that the resulting accuracy estimates are sensitive to gravity model coefficient uncertainties, data reduction assumptions and satellite mission parameters.

Robbins, J. W.↗

NASA NTRS1987

Perovskite oxides: Oxygen electrocatalysis and bulk structure

Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

Carbonio, R. E.↗

NASA NTRS1988

Perovskite-type oxides - Oxygen electrocatalysis and bulk structure

Carbonio, R. E.↗

NASA NTRS2008

Radiative Susceptibility of Cloudy Atmospheres to Droplet Number Perturbations: 2. Global analysis from MODIS

Global distributions of albedo susceptibility for areas covered by liquid clouds are presented for 4 months in 2005. The susceptibility estimates are based on expanded definitions presented in a companion paper and include relative cloud droplet number concentration (CDNC) changes, perturbations in cloud droplet asymmetry parameter and single-scattering albedo, atmospheric/surface effects, and incorporation of the full solar spectrum. The cloud properties (optical thickness and effective radius) used as input in the susceptibility calculations come from MODIS Terra and Aqua Collection 5 gridded data. Geographical distributions of susceptibility corresponding to absolute ( absolute cloud susceptibility ) and relative ( relative cloud susceptibility ) CDNC changes are markedly different indicating that the detailed nature of the cloud microphysical perturbation is important for determining the radiative forcing associated with the first indirect aerosol effect. However, both types of susceptibility exhibit common characteristics such as significant reductions when perturbations in single-scattering properties are omitted, significant increases when atmospheric absorption and surface albedo effects are ignored, and the tendency to decrease with latitude, to be higher over ocean than over land, and to be statistically similar between the morning and afternoon MODIS overpasses. The satellite-based susceptibility analysis helps elucidate the role of present-day cloud and land surface properties in indirect aerosol forcing responses. Our realistic yet moderate CDNC perturbations yield forcings on the order of 1-2 W/sq m for cloud optical property distributions and land surface spectral albedos observed by MODIS. Since susceptibilities can potentially be computed from model fields, these results have practical application in assessing the reasonableness of model-generated estimates of the aerosol indirect radiative forcing.

Oreopoulos, Lazaros↗

DOE OSTI2020

Distribution System Segmented Model Simplification with Independent Dynamically Changing End-Use Loads

With more emerging technologies in power distribution systems, to support quasi-static time-series (QSTS) simulation over short time frames, accurately modeling the dynamic behavior of end-use load under various conditions is im- portant. However, time and cost can be a burden for the QSTS simulation of thousands of houses representing dynamic load behaviors on large distribution feeders. There are two main contributions of this paper in order to reduce the QSTS simulation complexity. First, the paper presents a method to stochasti- cally model the dynamic behavior of end-use load for QSTS simulations. Second, using the stochastically modeled load behavior as an input to a distribution sys- tem, and building on our previous QSTS simulation simplification/acceleration method that relies on uniform load behavior, this paper presents a segment substitution approach for the simplification of distribution system models with independent dynamically changing end-use loads. Our numerical results show that compared to GridLAB-D, a software tool that simulates end-use load be- havior through physical models, the proposed stochastic modeling approach achieved an 89.3% simulation time reduction for end-use loads, while accurately capturing the temporally changing total load behavior. Moreover, the QSTS simulation of a large test distribution system through OpenDSS showed that the proposed simplification method decreased the feeder simulation time by a factor of three at less than 0.3% voltage error. Compared to our previous method with independent dynamic loads, the voltage error is reduced by a factor of four.

Power distribution system modeling, stochastic pro↗

DOE OSTI2023

Multi-site evaluation of stratified and balanced sampling of soil organic carbon stocks in agricultural fields

Estimating soil organic carbon (SOC) stocks in agricultural fields is essential for environmental and agronomic research, management, and policy. Stratified sampling is a classic strategy for estimating mean soil properties, and has recently been codified in SOC monitoring protocols. However, for the specific task of estimating the SOC stock of an agricultural field, concrete guidance is needed for which covariates to stratify on and how much stratification can improve estimation efficiency. It is also unknown how stratified sampling of SOC stocks compares to modern alternatives, notably doubly balanced sampling. To address these gaps, we collected high-density (average of 7 samples ha -1 ) and deep (average of 75 cm) measurements of SOC stocks at eight commercial fields under maize-soybean production in two US Midwestern states. We combined these measurements with a Bayesian geostatistical model to evaluate stratified and balanced sampling strategies that use a set of readily-available geographic, topographic, spectroscopic, and soil survey data. We examined the number of samples needed to achieve a given level of SOC stock estimation accuracy. While stratified sampling using these variables enables an average sample size reduction of 17% (95% CI, 11% to 23%) compared to simple random sampling, doubly balanced sampling is consistently more efficient, reducing sample sizes by 32% (95% CI, 25% to 37%). The data most important to these efficiency gains are a remotely-sensed SOC index, SSURGO estimates of SOC stocks, and the topographic wetness index. We conclude that in order to meet the urgent challenge of climate change, SOC stocks in agricultural fields could be more efficiently estimated by taking advantage of this readily-available data, especially with doubly balanced sampling.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1992

NLS clutching bearing cavity flow analysis

A flow model of the NLS clutching bearing cavity was built for 2-D axisymmetric viscous analysis. From the computational fluid dynamics (CFD) approach, the tangential force exerted on the surfaces of the inner race was integrated to calculate the dividing torque which, in conjunction with the resistance torque, was used to predict the operating speed of the inner race. In order to further reduce the inner race rotation, the swirling flow at the cavity inlet was partially redirected to generate an opposing torque. Thirty six slanted slots were incorporated into the anti-vortex rib to achieve this goal. A 3-D flow analysis performed on this configuration indicates a drastic reduction of the driving torque and inner race RPM.

Tran, Ken↗

DOE OSTI2023

Electrolyzer energy dominates separation costs in state-of-the-art CO 2 electrolyzers: Implications for single-pass CO 2 utilization

In low-temperature CO 2 electrolysis, a fundamental trade-off exists between maximizing electrolyzer performance and minimizing downstream CO 2 recovery. Here, by coupling a down-the-gas-channel electrolyzer model with a techno-economic analysis, we find that the optimal single-pass CO 2 conversion for ethylene production is typically low—on the order of 5%–10%—although larger optima are found if the H 2 faradic efficiency is very low. Similarly, strategies for eliminating carbonate crossover require more energy than downstream gas separation if they increase the cell potential by ~0.2 V; however, when CAPEX are accounted for, this “break-even” voltage increases to ~ 0.4 to 0.8 V for electricity prices varying from 6c/kWh to 1.5c/kWh. These findings are a consequence of the low energy requirements of industrial gas separation relative to electrochemical CO 2 reduction. Under most circumstances, maintaining near-optimal electrolyzer performance is more important than reducing or eliminating downstream gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Higher-Order Corrections to Optimisers based on Newton's Method

The Newton, Gauss–Newton and Levenberg–Marquardt methods all use the first derivative of a vector function (the Jacobian) to minimise its sum of squares. When the Jacobian matrix is ill-conditioned, the function varies much faster in some directions than others and the space of possible improvement in sum of squares becomes a long narrow ellipsoid in the linear model. This means that even a small amount of nonlinearity in the problem parameters can cause a proposed point far down the long axis of the ellipsoid to fall outside of the actual curved valley of improved values, even though it is quite nearby. This paper presents a differential equation that ‘follows’ these valleys, based on the technique of geodesic acceleration, which itself provides a 2 nd order improvement to the Levenberg–Marquardt iteration step. Higher derivatives of this equation are computed that allow n th order improvements to the optimisation methods to be derived. These higher-order accelerated methods up to 4 th order are tested numerically and shown to provide substantial reduction of both number of steps and computation time.

43 PARTICLE ACCELERATORS↗

NASA NTRS1991

Estimation of geopotential differences over intercontinental locations using satellite and terrestrial measurements

An error analysis study was conducted in order to assess the current accuracies and the future anticipated improvements in the estimation of geopotential differences over intercontinental locations. An observation/estimation scheme was proposed and studied, whereby gravity disturbance measurements on the Earth's surface, in caps surrounding the estimation points, are combined with corresponding data in caps directly over these points at the altitude of a low orbiting satellite, for the estimation of the geopotential difference between the terrestrial stations. The mathematical modeling required to relate the primary observables to the parameters to be estimated, was studied for the terrestrial data and the data at altitude. Emphasis was placed on the examination of systematic effects and on the corresponding reductions that need to be applied to the measurements to avoid systematic errors. The error estimation for the geopotential differences was performed using both truncation theory and least squares collocation with ring averages, in case observations on the Earth's surface only are used. The error analysis indicated that with the currently available global geopotential model OSU89B and with gravity disturbance data in 2 deg caps surrounding the estimation points, the error of the geopotential difference arising from errors in the reference model and the cap data is about 23 kgal cm, for 30 deg station separation.

Pavlis, Nikolaos K.↗

NASA NTRS1994

Access to space study

This report summarizes the results of a comprehensive NASA in-house study to identify and assess alternate approaches to access to space through the year 2030, and to select and recommend a preferred cause of action. The goals of the study were to identify the best vehicles and transportation architectures to make major reductions in the cost of space transportation (at least 50%), while at the same time increasing safety for flight crews by at least an order of magnitude. In addition, vehicle reliability was to exceed 0.98 percent, and, as important, the robustness, pad time, turnaround time, and other aspects of operability were to be vastly improved. This study examined three major optional architectures: (1) retain and upgrade the Space Shuttle and expendable launch vehicles; (2) develop new expendable vehicles using conventional technologies and transition from current vehicles beginning in 2005; and (3) develop new reusable vehicles using advanced technology, and transition from current vehicles beginning in 2008. The launch-needs, mission model utilized for for the study was based upon today's projection of civil, defense, and commercial mission payload requirements.

Source record↗

DOE OSTI2023

BEYONDPLANCK XI. Bayesian CMB analysis with sample-based end-to-end error propagation

We present posterior sample-based cosmic microwave background (CMB) constraints from Planck LFI and WMAP observations as derived through global end-to-end Bayesian processing within the BeyondPlanck framework. We first use these samples to study correlations between CMB, foreground, and instrumental parameters, and we identify a particularly strong degeneracy between CMB temperature fluctuations and free-free emission on intermediate angular scales (400 ≲ ℓ ≲ 600), which is mitigated through model reduction, masking, and resampling. We compare our posterior-based CMB results with previous Planck products, and find generally good agreement, although with notably higher noise due to our exclusion of HFI data. We find a best-fit CMB dipole amplitude of 3362.7 ± 1.4 µK, in excellent agreement with previous Planck results. The quoted dipole uncertainty is derived directly from the sampled posterior distribution, and does not involve any ad hoc contributions for Planck instrumental systematic effects. Similarly, we find a temperature quadrupole amplitude of ${σ}_{2}^{TT}$ = 229 ± 97 µK 2 , which is in good agreement with previous results in terms of the amplitude, but the uncertainty is an order of magnitude larger than the naive diagonal Fisher uncertainty. Relatedly, we find lower evidence for a possible alignment between the quadrupole and octopole than previously reported due to a much larger scatter in the individual quadrupole coefficients, caused both by marginalizing over a more complete set of systematic effects, but also by our more conservative analysis mask required to mitigate the free-free degeneracy. For higher multipoles, we find that the angular temperature power spectrum is generally in good agreement with both Planck and WMAP. At the same time, we note that this is the first time the sample-based asymptotically exact Blackwell-Rao estimator has been successfully established for multipoles up to ℓ ≤ 600, and it now accounts for the majority of the cosmologically important information. Overall, this analysis demonstrates the unique capabilities of the Bayesian approach with respect to end-to-end systematic uncertainty propagation, and we believe it can and should play an important role in the analysis of future CMB experiments. Cosmological parameter constraints are presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Optimal Sizing and Operation of a Hybrid Clean Energy Center

In this paper, we consider the deployment of battery energy storage systems (BESSs) paired with photovoltaics (PV) to form a hybrid clean energy center (HCEC), where the BESS is equipped for two main purposes: i) reducing the volatility of PV output and ii) shifting energy to meet an export limit. We develop a linear dynamical model to characterize the output of an HCEC and express the volatility and export power as functions of the battery's dispatch operations. We also propose an optimal sizing method via second-order cone programming (SOCP) to maximize the net benefits of the HCEC. Numerical studies are performed to illustrate and validate the proposed method.

Battery energy storage systems, photovoltaics, sec↗