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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large spatiotemporal variability in aerosol properties over central Argentina during the CACTI field campaign

Abstract. Few field campaigns with extensive aerosol measurements have been conducted over continental areas in the Southern Hemisphere. To address this data gap and better understand the interactions of convective clouds and the surrounding environment, extensive in situ and remote sensing measurements were collected during the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign conducted between October 2018 and April 2019 over the Sierras de Córdoba range of central Argentina. This study describes measurements of aerosol number, size, composition, mixing state, and cloud condensation nuclei (CCN) collected on the ground and from a research aircraft during 7 weeks of the campaign. Large spatial and multiday variations in aerosol number, size, composition, and CCN were observed due to transport from upwind sources controlled by mesoscale to synoptic-scale meteorological conditions. Large vertical wind shears, back trajectories, single-particle measurements, and chemical transport model predictions indicate that different types of emissions and source regions, including biogenic emissions and biomass burning from the Amazon and anthropogenic emissions from Chile and eastern Argentina, contribute to aerosols observed during CACTI. Repeated aircraft measurements near the boundary layer top reveal strong spatial and temporal variations in CCN and demonstrate that understanding the complex co-variability of aerosol properties and clouds is critical to quantify the impact of aerosol–cloud interactions. In addition to quantifying aerosol properties in this data-sparse region, these measurements will be valuable to evaluate predictions over the midlatitudes of South America and improve parameterized aerosol processes in local, regional, and global models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Exchange‐Interaction‐Like Behavior in Ferroelectric Bilayers

Abstract Interlayer coupling in materials, such as exchange interactions at the interface between an antiferromagnet and a ferromagnet, can produce exotic phenomena not present in the parent materials. While such interfacial coupling in magnetic systems is widely studied, there is considerably less work on analogous electric counterparts (i.e., akin to electric “exchange‐bias‐like” or “exchange‐spring‐like” interactions between two polar materials) despite the likelihood that such effects can also engender new features associated with anisotropic electric dipole alignment. Here, electric analogs of such exchange interactions are reported, and their physical origins are explained for bilayers of in‐plane polarized Pb 1−x Sr x TiO 3 ferroelectrics. Variation of the strontium content and thickness of the layers provides for deterministic control over the switching properties of the bilayer system resulting in phenomena analogous to an exchange‐spring interaction and, leveraging added control of these interactions with an electric field, the ability to realize multistate‐memory function. Such observations not only hold technological promise for ferroelectrics and multiferroics but also extend the similarities between ferromagnetic and ferroelectric materials to include the manifestation of exchange‐interaction‐like phenomena.

Kavle, Pravin↗
DOE OSTI2025

In‐situ Analysis of Paste Properties in Resonant Acoustic Mixers for Quality Monitoring

Formulation control is key to achieving consistent target properties of energetic materials, as feedstock variations and slight deviations in the ratios of different ingredients can have major effects on final product properties, particularly in dense pastes with high particle loading >65 vol.%. In large‐scale operations, it is imperative to either correct or remove batches of material that perform outside baseline property specifications as early as possible to avoid unnecessary processing of suboptimal material. Quality monitoring is the practice of measuring material properties during processing using process analytical technologies as opposed to only testing the properties of the final product; it is a key principle in the quality‐by‐design frameworks used for designing formulations and manufacturing processes. Herein, a process analytical technology method for correlating material properties of dense pastes directly after mixing in a Resonant Acoustic Mixer to motor data is developed and used to detect differences in the particle content of dense paste formulations. This method was also capable of detecting variations in powder feedstock properties, such as particle packing efficiency, and is sensitive enough to detect changes of 2 wt.% in the total solids content of the formulation. The techniques presented herein show excellent promise for use as a process analytical technology capable of quantifying formulation effects on material movement modes during resonant acoustic mixing.

Materials science↗
DOE OSTI2024

Synthesis and Reactivity of Fe(II) Complexes Containing Cis Ammonia Ligands

The development of earth-abundant transition-metal complexes for electrocatalytic ammonia oxidation is needed to facilitate a renewable energy economy. Important to this goal is a fundamental understanding of how ammonia binds to complexes as a function of ligand geometry and electronic effects. Here, we report the synthesis and characterization of a series of Fe(II)–NH 3 complexes supported by tetradentate, facially-binding ligands with a combination of pyridine and N-heterocyclic carbene donors. Electronic modification of the supporting ligand led to significant shifts in the Fe III/II potential and variations in NH bond acidities. Finally, investigations of ammonia oxidation by cyclic voltammetry, controlled potential bulk electrolysis, and through addition of stoichiometric organic radicals, TEMPO and tBu3 ArO • are reported. No catalysis of oxidation of NH 3 to N 2 was observed, and 15 N 2 was detected only in reactions with tBu3 ArO • .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Breakdown of the Static Dielectric Screening Approximation of Coulomb Interactions in Atomically Thin Semiconductors

Coulomb interactions in atomically thin materials are remarkably sensitive to variations in the dielectric screening of the environment, which can be used to control exotic quantum many-body phases and engineer exciton potential landscapes. For decades, static or frequency-independent approximations of the dielectric response, where increased dielectric screening is predicted to cause an energy redshift of the exciton resonance, have been sufficient. These approximations were first applied to quantum wells and were more recently extended with initial success to layered transition metal dichalcogenides (TMDs). Here, we use charge-tunable exciton resonances to investigate screening effects in TMD monolayers embedded in materials with low-frequency dielectric constants ranging from 4 to more than 1000, a range of 2 orders of magnitude larger than in previous studies. In contrast to the redshift predicted by static models, we observe a blueshift of the exciton resonance exceeding 30 meV in higher dielectric constant environments. We explain our observations by introducing a dynamical screening model based on a solution to the Bethe-Salpeter equation (BSE). When dynamical effects are strong, we find that the exciton binding energy remains mostly controlled by the low-frequency dielectric response, while the exciton self-energy is dominated by the high-frequency one. Our results supplant the understanding of screening in layered materials and their heterostructures, introduce a knob to tune selected many-body effects, and reshape the framework for detecting and controlling correlated quantum many-body states and designing optoelectronic and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Can We Better Constrain the Timing of GNAIW/UNADW Variability in the Western Equatorial Atlantic and Its Relationship to Climate Change During the Last Deglaciation?

We have revisited the well-trod VM28-122 core retrieved from the deep Colombian Basin, which includes sediments that reflect modern Upper North Atlantic Deep Water and extends through the last deglaciation into the last glacial period when the site was bathed in Glacial North Atlantic Intermediate Water. Here, we leverage the nearby Cariaco Basin's surface water radiocarbon reconstruction (reservoir age, and ΔR) on the IntCal20 timescale to recast the period of the last deglaciation with a newly constrained age model. Based on the revised age model, we observe that the multimillennial decrease in benthic δ 13 C and B/Ca (which record δ 13 C of dissolved inorganic carbon and Δ[CO 3 –2 ], respectively) began at 18,100 ± 240 (95% CI) calibrated years BP, synchronous with Termination 1, as identified by changes in the Antarctic Ice Sheet composite and by the onset of rapid glacier recession in the Southern Hemisphere (Denton et al., 2010, https://doi.org/10.1126/science.1184119; Denton et al., 2021, https://10.1016/j.quascirev.2020.106771). The beginning of the decrease in benthic δ 18 O is concurrent with the changes in carbon chemistry or at most, a few hundred years later. It is no later than 17,700 ± 300 (95% CI) yrs BP in our record, at the putative start of Heinrich Stadial 1. With sufficient data density (more than 2–3 control points per kyr) and an independent record of past surface water radiocarbon variations, it is possible to achieve late glacial and deglacial chronologies with fidelities similar to those of ice cores. Furthermore, doing so in more oceanographic locations should shed light more broadly on the mechanisms instrumental to abrupt climate change.

58 GEOSCIENCES↗
DOE OSTI2022

Three‐Dimensional Permeability Inversion Using Convolutional Neural Networks and Positron Emission Tomography

Abstract Quantification of heterogeneous multiscale permeability in geologic porous media is key for understanding and predicting flow and transport processes in the subsurface. Recent utilization of in situ imaging, specifically positron emission tomography (PET), enables the measurement of three‐dimensional (3‐D) time‐lapse radiotracer solute transport in geologic media. However, accurate and computationally efficient characterization of the permeability distribution that controls the solute transport process remains challenging. Leveraging the relationship between local permeability variation and solute advection behavior, an encoder‐decoder based convolutional neural network (CNN) is implemented as a permeability inversion scheme using a single PET scan of a radiotracer pulse injection experiment as input. The CNN can accurately capture the 3‐D spatial correlation between the permeability and the radiotracer solute arrival time difference maps in geologic cores. We first test the inversion accuracy using synthetic test datasets and then test the accuracy on a suite of experimental PET imaging datasets acquired on four different geologic cores. The network‐predicted permeability maps from the geologic cores are used to parameterize forward numerical models that are directly compared with the experimental PET imaging data. The results indicate that a single trained network can generate robust 3‐D permeability inversion maps in seconds. Numerical models parameterized with these permeability maps closely capture the experimentally observed solute arrival time behavior. This work provides an unprecedented approach for efficiently characterizing multiscale permeability heterogeneity in complex geologic samples.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dynamic enhancer landscapes in human craniofacial development

The genetic basis of human facial variation and craniofacial birth defects remains poorly understood. Distant-acting transcriptional enhancers control the fine-tuned spatiotemporal expression of genes during critical stages of craniofacial development. However, a lack of accurate maps of the genomic locations and cell type-resolved activities of craniofacial enhancers prevents their systematic exploration in human genetics studies. Here, we combine histone modification, chromatin accessibility, and gene expression profiling of human craniofacial development with single-cell analyses of the developing mouse face to define the regulatory landscape of facial development at tissue- and single cell-resolution. We provide temporal activity profiles for 14,000 human developmental craniofacial enhancers. We find that 56% of human craniofacial enhancers share chromatin accessibility in the mouse and we provide cell population- and embryonic stage-resolved predictions of their in vivo activity. Taken together, our data provide an expansive resource for genetic and developmental studies of human craniofacial development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Investigating the Origins of Cyclic Variability in Internal Combustion Engines Using Wall-Resolved Large Eddy Simulations

Modern internal combustion engines (ICE) operate at the ragged edge of stable operation characterized by high cycle-to-cycle variations (CCV). A key scientific challenge for ICE is the understanding, modeling, and control of CCV in engine performance, which can contribute to partial burns, misfire, and knock. The objective of this study is to use high-fidelity numerical simulations to improve the understanding of the causes of CCV. Nek5000, a leading high-order spectral element, open source code, is used to simulate the turbulent flow in the engine combustion chamber. Multicycle, wall-resolved large-eddy simulations (LESs) are performed for the General Motors (GM), Transparent Combustion Chamber (TCC-III) optical engine under motored operating conditions. The mean and root-mean-square (rms) of the in-cylinder flow fields at various piston positions are validated using particle image velocimetry (PIV) measurements during the intake and compression strokes. The large-scale flow structures, including the swirl and tumble flow patterns, are analyzed in detail and the causes for cyclic variabilities in these flow features are explained. The energy distribution across the different scales of the flow are quantified using one-dimensional (1D) energy spectra, and the effect of the tumble breakdown process on the energy distribution is examined. Finally, the insights from this study can help us develop improved engine designs with reduced cyclic variabilities in the in-cylinder flow leading to enhanced engine performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Mechanical Response of Castlegate Sandstone under Hydrostatic Cyclic Loading

The stress history of rocks in the subsurface affects their mechanical and petrophysical properties. Rocks can often experience repeated cycles of loading and unloading due to fluid pressure fluctuations, which will lead to different mechanical behavior from static conditions. This is of importance for several geophysical and industrial applications, for example, wastewater injection and reservoir storage wells, which generate repeated stress perturbations. Laboratory experiments were conducted with Castlegate sandstone to observe the effects of different cyclic pressure loading conditions on a common reservoir analogue. Each sample was hydrostatically loaded in a triaxial cell to a low effective confining pressure, and either pore pressure or confining pressure was cycled at different rates over the course of a few weeks. Fluid permeability was measured during initial loading and periodically between stress cycles. Samples that undergo cyclic loading experience significantly more inelastic (nonrecoverable) strain compared to samples tested without cyclic hydrostatic loading. Permeability decreases rapidly for all tests during the first few days of testing, but the decrease and variability of permeability after this depend upon the loading conditions of each test. Cycling conditions do affect the mechanical behavior; the elastic moduli decrease with the increasing loading rate and stress cycling. The degree of volumetric strain induced by stress cycles is the major control on permeability change in the sandstones, with less compaction leading to more variation from measurement to measurement. The data indicate that cyclic loading degrades permeability and porosity more than static conditions over a similar period, but the petrophysical properties are dictated more by the hydrostatic loading rate rather than the total length of time stress cycling is imposed.

58 GEOSCIENCES↗
DOE OSTI2020

Use of the lignocellulose-degrading bacterium Caldicellulosiruptor bescii to assess recalcitrance and conversion of wild-type and transgenic poplar

Abstract Background Biological conversion of lignocellulosic biomass is significantly hindered by feedstock recalcitrance, which is typically assessed through an enzymatic digestion assay, often preceded by a thermal and/or chemical pretreatment. Here, we assay 17 lines of unpretreated transgenic black cottonwood ( Populus trichocarpa ) utilizing a lignocellulose-degrading, metabolically engineered bacterium, Caldicellulosiruptor bescii . The poplar lines were assessed by incubation with an engineered C. bescii strain that solubilized and converted the hexose and pentose carbohydrates to ethanol and acetate. The resulting fermentation titer and biomass solubilization were then utilized as a measure of biomass recalcitrance and compared to data previously reported on the transgenic poplar samples. Results Of the 17 transgenic poplar lines examined with C. bescii , a wide variation in solubilization and fermentation titer was observed. While the wild type poplar control demonstrated relatively high recalcitrance with a total solubilization of only 20% and a fermentation titer of 7.3 mM, the transgenic lines resulted in solubilization ranging from 15 to 79% and fermentation titers from 6.8 to 29.6 mM. Additionally, a strong inverse correlation ( R 2 = 0.8) between conversion efficiency and lignin content was observed with lower lignin samples more easily converted and solubilized by C. bescii . Conclusions Feedstock recalcitrance can be significantly reduced with transgenic plants, but finding the correct modification may require a large sample set to identify the most advantageous genetic modifications for the feedstock. Utilizing C. bescii as a screening assay for recalcitrance, poplar lines with down-regulation of coumarate 3-hydroxylase 3 (C3H3) resulted in the highest degrees of solubilization and conversion by C. bescii . One such line, with a growth phenotype similar to the wild-type, generated more than three times the fermentation products of the wild-type poplar control, suggesting that excellent digestibility can be achieved without compromising fitness of the tree.

09 BIOMASS FUELS↗
DOE OSTI2021

Decision Tree Regression to Identify Representative Road Sections for Evaluating Performance of Connected and Automated Class 8 Tractors

Currently, connected and autonomous vehicle (CAV) technology is being developed for Class 8 tractor trucks aimed at improved safety and fuel economy and reduced CO2 emissions. Despite extensive efforts conducted across the world, the reported efficiency gains were varied from different research groups, raising concerns about the fidelity of models, the performance of control, and the effectiveness of the experimental validation. One root cause for this variation stems from the fact that the efficiency gain obtained from the CAV is sensitive to real-world conditions, including surrounding traffic and road grade. This study presents an approach aimed at identifying representative public road sections and facilitating CAV research from this perspective. By employing the decision tree regression (DTR) method to the Fleet DNA database, the most representative road sections can be identified. High-level metrics and detailed information of the derived road sections are also illustrated and discussed, which demonstrate their representativeness and the effectiveness of the approach. Meanwhile, the capability of this approach can be easily extended by integrating specific constraints into the DTR algorithm. As an example, a specific representative road section with an aggressive road grade profile was also provided via this approach.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2020

SICOPOLIS-AD v1: an open-source adjoint modeling framework for ice sheet simulation enabled by the algorithmic differentiation tool OpenAD

We present a new capability of the ice sheet model SICOPOLIS that enables flexible adjoint code generation via source transformation using the open-source algorithmic differentiation (AD) tool OpenAD.The adjoint code enables efficient calculation of the sensitivities of a scalar-valued objective function or quantity of interest (QoI) to a range of important, often spatially varying and uncertain model input variables, including initial and boundary conditions, as well as model parameters.Compared to earlier work on the adjoint code generation of SICOPOLIS, our work makes several important advances:(i) it is embedded within the up-to-date trunk of the SICOPOLIS repository – accounting for 1.5 decades of code development and improvements – and is readily available to the wider community;(ii) the AD tool used, OpenAD, is an open-source tool;(iii) the adjoint code developed is applicable to both Greenland and Antarctica, including grounded ice as well as floating ice shelves, with an extended choice of thermodynamical representations.A number of code refactorization steps were required. They are discussed in detail in an Appendix as they hold lessons for the application of AD to legacy codes at large.As an example application, we examine the sensitivity of the total Antarctic Ice Sheet volume to changes in initial ice thickness, austral summer precipitation, and basal and surface temperatures across the ice sheet.Simulations of Antarctica with floating ice shelves show that over 100 years of simulation the sensitivity of total ice sheet volume to the initial ice thickness and precipitation is almost uniformly positive, while the sensitivities to surface and basal temperature are almost uniformly negative. Sensitivity to austral summer precipitation is largest on floating ice shelves from Queen Maud to Queen Mary Land. The largest sensitivity to initial ice thickness is at outlet glaciers around Antarctica. Comparison between total ice sheet volume sensitivities to surface and basal temperature shows that surface temperature sensitivities are higher broadly across the floating ice shelves, while basal temperature sensitivities are highest at the grounding lines of floating ice shelves and outlet glaciers. A uniformly perturbed region of East Antarctica reveals that, among the four control variables tested here, total ice sheet volume is the most sensitive to variations in austral summer precipitation as formulated in SICOPOLIS.Comparison between adjoint- and finite-difference-derived sensitivities shows good agreement, lending confidence that the AD tool is producing correct adjoint code.The new modeling infrastructure is freely available at http://www.sicopolis.net (last access: 2 April 2020) under the development trunk.

58 GEOSCIENCES↗
NASA NTRS1963

Mathematical Optimization Techniques

The papers collected in this volume were presented at the Symposium on Mathematical Optimization Techniques held in the Santa Monica Civic Auditorium, Santa Monica, California, on October 18-20, 1960. The objective of the symposium was to bring together, for the purpose of mutual education, mathematicians, scientists, and engineers interested in modern optimization techniques. Some 250 persons attended. The techniques discussed included recent developments in linear, integer, convex, and dynamic programming as well as the variational processes surrounding optimal guidance, flight trajectories, statistical decisions, structural configurations, and adaptive control systems. The symposium was sponsored jointly by the University of California, with assistance from the National Science Foundation, the Office of Naval Research, the National Aeronautics and Space Administration, and The RAND Corporation, through Air Force Project RAND.

Bellman, R.↗
NASA NTRS1973

Surface features on Mars: Ground-based albedo and radar compared with Mariner 9 topography

Earth-based albedo maps of Mars were compared with Mariner 9 television data and ground-based radar profiles to investigate the nature of the bright and dark albedo features. Little correlation was found except at the boundaries of classical albedo features, where some topographic control is indicated. Wind-blown dust models for seasonal and secular albedo variations are supported, but it is not clear whether the fines are derived from bright or dark parent rock. Mars, like the Earth and Moon, has probably generated two distinct types of crustal material.

Frey, H.↗
NASA NTRS1975

Voltage monitoring system

System serves as central station which can monitor voltage variations through transmission lines connnected to equipment scattered in different locations. Voltage-controlled oscillator is optional. It is used in some systems to condition signal to make it compatible with certain types of oscillographs.

Canicatti, C. L.↗
NASA NTRS1976

Effects of surface temperature and Reynolds number on heat transfer to the Shuttle Orbiter leeward fuselage

Heat-transfer data obtained at hypersonic shock tunnel conditions and three-dimensional flow field computations were used to study the influence of surface temperature and Reynolds number on the heating experienced by the leeward fuselage area of the Space Shuttle Orbiter configuration. The basic results of this study indicate that systematic variations in the average total enthalpy within a boundary layer (as obtained through controlled nonadiabatic processes) has an influence on the heat transfer to downstream areas which can be correlated; even in three-dimensional separated flow areas. Specifically, the average separated-flow Stanton number for the fuselage leeward surface is shown to be moderately dependent on the windward-wall to free-stream total temperature ratio.

Bertin, J. J.↗