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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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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Comparison of Kill Switch Toxins in Plant-Beneficial Pseudomonas fluorescens Reveals Drivers of Lethality, Stability, and Escape

Kill switches provide a biocontainment strategy in which unwanted growth of an engineered microorganism is prevented by expression of a toxin gene. A major challenge in kill switch engineering is balancing evolutionary stability with robust cell killing activity in application relevant host strains. Understanding host-specific containment dynamics and modes of failure helps to develop potent yet stable kill switches. To guide the design of robust kill switches in the agriculturally relevant strain Pseudomonas fluorescens SBW25, we present a comparison of lethality, stability, and genetic escape of eight different toxic effectors in the presence of their cognate inactivators (i.e., toxin–antitoxin modules, polymorphic exotoxin–immunity systems, restriction endonuclease–methyltransferase pair). We find that cell killing capacity and evolutionary stability are inversely correlated and dependent on the level of protection provided by the inactivator gene. Decreasing the proteolytic stability of the inactivator protein can increase cell killing capacity, but at the cost of long-term circuit stability. By comparing toxins within the same genetic context, we determine that modes of genetic escape increase with circuit complexity and are driven by toxin activity, the protective capacity of the inactivator, and the presence of mutation-prone sequences within the circuit. Here, the results of our study reveal that circuit complexity, toxin choice, inactivator stability, and DNA sequence design are powerful drivers of kill switch stability and valuable targets for optimization of biocontainment systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

A Satellite-Based Estimate of Convective Vertical Velocity and Convective Mass Flux: Global Survey and Comparison with Radar Wind Profiler Observations

Convective vertical velocity (w c ) and convective mass flux (M c ) lie at the heart of GCM cumulus parameterizations, but few observations of these critical parameters are available. In this paper, we develop and evaluate a novel, satellite-based method for estimating profiles of w c and M c . Here, comparisons with collocated ground-based radar wind profiler (RWP) observations show that satellite estimated median w c is slightly greater than the RWP estimates, but they show solid agreement when compared at the 95th percentiles (intense updrafts). RWP-derived and satellite estimated M c are broadly comparable in the lower and middle troposphere, with some differences in the upper troposphere due to differences in convective core sampling. A k-means cluster analysis of multiple years of w c data shows that convective characteristics are distinctly different among extratropical convection, tropical land convection, and tropical oceanic convection. Tropical land convection is significantly more intense and more variable than the oceanic counterpart.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Comparison of Biotite Elastic Properties Recovered by Spherical Nanoindentations and Atomistic Simulations — Influence of Nano-Scale Defects in Phyllosilicates

Phyllosilicate minerals, due to their sheets structure and morphology, are known to cause anisotropy in bulk rock properties and make the bulk rock more compliant. Accurately characterizing the micromechanical behavior of phyllosilicate minerals from laboratory observations, which eventually translates to the bulk rock behavior, is still challenging due to their fine-grained nature. Recent advances in atomistic simulations open the possibility of theoretically investigating such mineral mechanical behavior. We compare the elastic properties of biotites recovered by spherical nanoindentation with those predicted from density functional theory (DFT) simulations to investigate to what extent theoretical predictions reproduce actual phyllosilicate properties. Spherical nanoindentation was conducted using schist rocks from Poorman Formation, South Dakota, USA, to recover continuous indentation stress-strain curves. Loading in the layer-normal orientation shows an average indentation modulus (M) of about 35 GPa, while loading in the layer-parallel orientation gives a higher average of about 95 GPa. To facilitate comparison, the elastic stiffness constants (cij) determined from DFT were converted to indentation modulus (M) using solutions proposed in this study. The majority of the nanoindentation modulus results are below the values inferred from the simulation results representing ideal defect-free minerals. We suggest that crystal defects present at the nano-scale, potentially ripplocations, are the dominant cause of the lower indentation modulus recovered from nanoindentation compared to those inferred from DFT simulations. Results highlight the importance of acknowledging the defects that exist down to the nano-scale as it modifies the mechanical properties of phyllosilicates compared to its pure defect-free form.

58 GEOSCIENCES↗
DOE OSTI2022

Coupling Warm Rain With an Eddy Diffusivity/Mass Flux Parameterization: 2. Sensitivities and Comparison to Observations

Abstract This is the second part of the description and validation of the coupling of a warm‐rain microphysics scheme to a stochastic multi‐plume eddy‐diffusivity/mass‐flux parameterization. Part 1 provides the model description and initial validation of the parameterization in a single column model (SCM) against large eddy simulations. This manuscript provides additional comparisons against satellite observations of 500 unique simulation cases, an analysis of model parameter‐based sensitivities in those 500 cases, and an evaluation of the idealized LES case study paradigm for parameterization development. The SCM is forced by a weather reanalysis in the subtropical northeast Pacific region characterized by the stratocumulus‐to‐cumulus cloud transition. 18 scalar outputs are examined to identify the sensitivities to 22 of the model's parameters. The model is highly sensitive to parameters that determine the behavior of convective plumes, which collectively lead to the most sensitivity in 13 of the 18 outputs. Only a few parameters contribute sensitivities that are not highly correlated with those of other parameters. While forcing the model with two canonical field campaign cases results in similar picture of which parameters lead to high sensitivity in model outputs, the sensitivity magnitudes can be overestimated compared to when the model is forced by weather reanalyzes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Inner Belt Electron Decay Timescales: A Comparison of Van Allen Probes and DREAM3D Losses Following the June 2015 Storm

Abstract NASA's Van Allen Probes observed significant, long‐lived fluxes of inner belt electrons up to ∼1 MeV after geomagnetic storms in March and June 2015. Reanalysis of Magnetic Electron Ion Spectrometer (MagEIS) data with improved background correction showed a clearer picture of the relativistic electron population that persisted through 2016 and into 2017 above the Fennell et al. (2015, https://doi.org/10.1002/2014gl062874 ) limit. The intensity and duration of these enhancements allow estimation of decay timescales for comparison with simulated decay rates and theoretical lifetimes. We compare decay timescales from these data and DREAM3D simulations based on them using geomagnetic activity‐dependent pitch angle diffusion coefficients derived from plasmapause‐indexed wave data (Malaspina et al., 2016, https://doi.org/10.1002/2016gl069982 , 2018, https://doi.org/10.1029/2018gl078564 ) and phase space densities derived from MagEIS observations. Simulated decay rates match observed decay rates more closely than the theoretical lifetime due to significantly nonequilibrium pitch angle distributions in simulation and data. We conclude that nonequilibrium effects, rather than a missing diffusion or loss process, account for observed short decay rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Comparisons Between Array Derived Dynamic Strain Rate (ADDS) and Fiber‐Optic Distributed Acoustic Sensing (DAS) Strain Rate

Abstract Distributed acoustic sensing (DAS) strain rate and particle velocity can be compared through approximate scaling with medium velocity. We instead performed a direct comparison between array derived dynamic strain (ADDS) rate and DAS strain rate for six frequency bands. The PoroTomo project at Brady's Hot Springs, Nevada, deployed a 240‐geophone 3C array co‐located with fiber‐optic DAS system and 8.7 km of buried cable. We selected subsets of the geophone array to create four smaller arrays and computed ADDS. The horizontal components of the ADDS were rotated into the direction of the fiber‐optic cable and then compared with the observed DAS strain rates. From three example regional earthquakes of local magnitudes 2.9, 4.1, and 4.3, the ADDS are found to be coherent with DAS for frequencies ≤1 Hz. For frequencies >1‐Hz, this correlation decays quickly. Small differences between linear and areal dynamic strains at 1‐Hz suggest poor signal‐to‐noise or localized strain that is perturbed by shallow heterogeneities compare to the average strain propagating across the geophone array. The implication is that around 1‐Hz, straight fiber DAS is measuring axial strain along the fiber and can provide good approximations to translational particle motions. However, above 1‐Hz, DAS becomes more sensitive to shallow velocity gradients that can be beneficial for geophysical imaging yet becomes a limitation for traditional seismic analysis methods depending on absolute amplitude and phase from translational particle motions.

58 GEOSCIENCES↗
DOE OSTI2021

Comparison of potential drinking water source contamination across one hundred U.S. cities

Abstract Drinking water supplies of cities are exposed to potential contamination arising from land use and other anthropogenic activities in local and distal source watersheds. Because water quality sampling surveys are often piecemeal, regionally inconsistent, and incomplete with respect to unregulated contaminants, the United States lacks a detailed comparison of potential source water contamination across all of its large cities. Here we combine national-scale geospatial datasets with hydrologic simulations to compute two metrics representing potential contamination of water supplies from point and nonpoint sources for over a hundred U.S. cities. We reveal enormous diversity in anthropogenic activities across watersheds with corresponding disparities in the potential contamination of drinking water supplies to cities. Approximately 5% of large cities rely on water that is composed primarily of runoff from non-pristine lands (e.g., agriculture, residential, industrial), while four-fifths of all large cities that withdraw surface water are exposed to treated wastewater in their supplies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Critical Assessment of MetaProteome Investigation (CAMPI): a multi-laboratory comparison of established workflows

Metaproteomics has matured into a powerful tool to assess functional interactions in microbial communities. While many metaproteomic workflows are available, the impact of method choice on results remains unclear. Here, we carry out a community-driven, multi-laboratory comparison in metaproteomics: the critical assessment of metaproteome investigation study (CAMPI). Based on well-established workflows, we evaluate the effect of sample preparation, mass spectrometry, and bioinformatic analysis using two samples: a simplified, laboratory-assembled human intestinal model and a human fecal sample. We observe that variability at the peptide level is predominantly due to sample processing workflows, with a smaller contribution of bioinformatic pipelines. These peptide-level differences largely disappear at the protein group level. While differences are observed for predicted community composition, similar functional profiles are obtained across workflows. CAMPI demonstrates the robustness of present-day metaproteomics research, serves as a template for multi-laboratory studies in metaproteomics, and provides publicly available data sets for benchmarking future developments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A cost comparison of various hourly-reliable and net-zero hydrogen production pathways in the United States

Hydrogen (H 2 ) as an energy carrier may play a role in various hard-to-abate subsectors, but to maximize emission reductions, supplied hydrogen must be reliable, low-emission, and low-cost. Here, we build a model that enables direct comparison of the cost of producing net-zero, hourly-reliable hydrogen from various pathways. To reach net-zero targets, we assume upstream and residual facility emissions are mitigated using negative emission technologies. For the United States (California, Texas, and New York), model results indicate next-decade hybrid electricity-based solutions are lower cost ($2.02-$2.88/kg) than fossil-based pathways with natural gas leakage greater than 4% ($2.73-$5.94/kg). These results also apply to regions outside of the U.S. with a similar climate and electric grid. However, when omitting the net-zero emission constraint and considering the U.S. regulatory environment, electricity-based production only achieves cost-competitiveness with fossil-based pathways if embodied emissions of electricity inputs are not counted under U.S. Tax Code Section 45V guidance.

08 HYDROGEN↗
DOE OSTI2025

A quantitative comparison of the fingerprint of twinned microstructures through surface and three-dimensional techniques

Assessing the fingerprint of a material’s microstructure is key for supporting materials design. With the emergence of a wide range of 3D characterization techniques, it is critical to understand the main differences in fingerprints reconstructed from 2D and 3D datasets. To this end, we introduce a graph-based microstructure reconstruction framework that enables structural comparisons of twin domain networks in high purity Ti using 3D and 2D electron backscatter diffraction. Insights into the structure of the twin networks are facilitated by combining statistical analysis of twin crystallography with visual and graphical analysis of the novel graph abstractions of the twins. We demonstrate that compared to 3D reconstructions, conventional 2D views of twinning miss key aspects of the microstructure including the high interconnectivity of domains into networks that span the full reconstruction volume. The reduced cross-grain and in-grain twin connectivity typically observed in 2D has notable implications on our understanding of how twinning mediates the plastic response of microstructures and how twin networks evolve. It is thus clear that 3D characterization is critical for accurately inferring both twin network morphologies as well as the key unit processes facilitating network formation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparison of short-range order in irradiated dysprosium titanates

Abstract The structural response of Dy 2 TiO 5 oxide under swift heavy ion irradiation (2.2 GeV Au ions) was studied over a range of structural length scales utilizing neutron total scattering experiments. Refinement of diffraction data confirms that the long-range orthorhombic structure is susceptible to ion beam-induced amorphization with limited crystalline fraction remaining after irradiation to 8 × 10 12 ions/cm 2 . In contrast, the local atomic arrangement, examined through pair distribution function analysis, shows only subtle changes after irradiation and is still described best by the original orthorhombic structural model. A comparison to Dy 2 Ti 2 O 7 pyrochlore oxide under the same irradiation conditions reveals a different behavior: while the dysprosium titanate pyrochlore is more radiation resistant over the long-range with smaller degree of amorphization as compared to Dy 2 TiO 5 , the former involves more local atomic rearrangements, best described by a pyrochlore-to-weberite-type transformation. These results highlight the importance of short-range and medium-range order analysis for a comprehensive description of radiation behavior.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The levelized cost of exergy: a technoeconomic framework for energy system comparison

While the levelized costs of electricity and heat have been quantified before, these two metrics cannot be directly compared, due to the different exergy content of heat and work. To address this, we develop a levelized cost of exergy (LCOEx) framework that enables direct comparisons between energy sources and processes. We find that moderate- and high-grade heat have an LCOEx that is comparable to electricity (5–10 ¢ per kWh ex ), while low-grade heat sources have much higher LCOEx values (>50 ¢ per kWh ex ). The LCOEx of a system's output is affected by (i) the LCOEx of the system input, (ii) the CAPEX of the system, and (iii) the exergetic efficiency of the system. We use our framework to identify which processes are already achieved with relatively high cost effectiveness (production of fuels, hydrogen, and ammonia) and which have room for improvement (dehumidification, food production).

08 HYDROGEN↗
DOE OSTI2020

First implementation of gyrokinetic exact linearized Landau collision operator and comparison with models

Gyrokinetic simulations are fundamental to understanding and predicting turbulent transport in magnetically confined fusion plasmas. Previous simulations have used model collision operators with approximate field-particle terms of unknown accuracy and/or have neglected collisional finite Larmor radius (FLR) effects. We have implemented the linearized Fokker–Planck collision operator with exact field-particle terms and full FLR effects in a gyrokinetic code (GENE). The new operator, referred to as “exact” in this paper, allows the accuracy of model collision operators to be assessed. The conservative Landau form is implemented because its symmetry underlies the conservation laws and the H-theorem, and enables numerical methods to preserve this conservation, independent of resolution. The implementation utilizes the finite-volume method recently employed to discretize the Sugama collision model in GENE, allowing direct comparison between the two operators. Results show that the Sugama model appears accurate for the growth rates of trapped electron modes (TEMs) driven only by density gradients, but appreciably underestimates the growth rates as the collisionality and electron temperature gradient increase. The TEM turbulent fluxes near the nonlinear threshold using the exact operator are similar to the Sugama model for the n e = d ln T e /d ln n e = 0 case, but substantially larger than the Sugama model for the n e = 1 case. The FLR effects reduce the growth rates increasingly with wavenumber deepening a “valley” at the intermediate binormal wavenumber as the unstable mode extends from the TEM regime to the electron temperature gradient instability regime. Application to the Hinton–Rosenbluth problem shows that zonal flows decay faster as the radial wavenumber increases and the exact operator yields weaker decay rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Cross-code comparison of the impact of the fill tube on high yield implosions on the National Ignition Facility

Fill tubes are used to inject deuterium and tritium fuel into inertial confinement fusion capsules fielded on the National Ignition Facility. These fill tubes have been shown to have a detrimental effect on capsule performance, primarily by introducing a low-density pathway into the central fuel region that enables the jetting of ablation material into the hot spot. Due to the complexity of the highly nonlinear flow associated with the fill tube and the challenge of diagnosing the evolution of the fill tube jet late in the implosion experiments, the uncertainty in how this perturbation source evolves is great. In this work, we report on the results of a detailed code comparison performed to understand uncertainties in computational modeling of the impact of fill tubes on implosion performance. The study employed two radiation-hydrodynamics codes, HYDRA and xRAGE, which employ very different meshing strategies and hydrodynamics solvers, as well as two radiation transport methodologies, discrete ordinates and multi-group diffusion. Our results demonstrate generally good agreement between codes through most of the implosion although they indicate sensitivity to opacity averaging methods. Late in the implosion, differences arise in the distribution and amount of contaminant although these differences have a remarkably small impact on the amount of yield reduction due to the fill tube. While these results demonstrate sensitivity in fill tube modeling to algorithmic choices, the observed differences between codes are small relative to known sensitivities due to expected variations in the fill tube geometry. Finally, we have developed a methodology for performing multi-group diffusion simulations that show good agreement with the more accurate discrete ordinates method

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Extended magnetohydrodynamics simulations of thin-foil Z-pinch implosions with comparison to experiments

Cylindrical foil liners, with foil thicknesses on the order of 400 nm, are often used in university-scale Z-pinch experiments (~1 MA in 100 ns) to study physics relevant to inertial confinement fusion efforts on larger-scale facilities (e.g., the MagLIF effort on the 25-MA Z facility at Sandia National Laboratories). The use of ultrathin foil liners typically requires a central support rod to maintain the structural integrity of the liner target assembly prior to implosion. The radius of this support rod sets a limit on the maximum convergence ratio achievable for the implosion. In recent experiments with a support rod and a preimposed axial magnetic field, helical instability structures in the imploding foil plasma were found to persist as the foil plasma stagnated on the rod and subsequently expanded away from the rod. We have now used the 3D extended magnetohydrodynamics simulation code PERSEUS (which includes Hall physics) to study these experiments. The results suggest that it is the support rod which is responsible for the helical structures persisting beyond stagnation. Furthermore, we find that as the radius of the support rod decreases (i.e., as the convergence ratio increases), the integrity and persistence of the helical modes diminish. In the limit with no support rod, we find that the structure of the final stagnation column is governed by the structure of the central precursor plasma column. Furthermore, these simulation results and their comparisons to experiment are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides

Results from extensive molecular dynamics simulations of molten LiCl, NaCl, KCl, and RbCl over a wide range of temperatures are reported. Comparison is made between the “Polarizable Ion Model” (PIM) and the non-polarizable “Rigid Ion Model” (RIM). Densities, self-diffusivities, shear viscosities, ionic conductivities, and thermal conductivities are computed and compared with experimental data. In addition, radial distribution functions are computed from ab initio molecular dynamics simulations and compared with the two sets of classical simulations as well as experimental data. Here, the two classical models perform reasonably well at capturing structural and dynamic properties of the four molten alkali chlorides, both qualitatively and often quantitatively. With the singular exception of liquid density, for which the PIM is more accurate than the RIM, there are few clear trends to suggest that one model is more accurate than the other for the four alkali halide systems studied here.

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

Performance of microchannel plate based detectors for <25 keV x rays: Monte Carlo simulations and comparisons with experimental results

We present the results of Monte Carlo simulations of the microchannel plate (MCP) response to x rays in the 250 eV to 25 keV energy range as a function of both x-ray energy and impact angle and their comparisons with the experimental results from the X8A beamline at the National Synchrotron Light Source at Brookhaven National Laboratory. Incoming x rays interact with the lead glass of the microchannel plate, producing photoelectrons. Transport of the photoelectrons is neglected in this model, and it is assumed that photoelectrons deposit all their energy at the point they are created. This deposition leads to the generation of many secondary electrons, some fraction of which diffuse to the MCP pore surface where they can initiate secondary electron cascades in the pore under an external voltage bias. X-ray penetration through multiple MCP pore walls is increasingly important above 5 keV, and the effect of this penetration on MCP performance is studied. In agreement with past measurements, we find that the dependence of MCP sensitivity with angle relative to the pore bias changes from a cotangent dependence to angular independence and then proceeds to a secant dependence as the x-ray energy increases. We also find that with the increasing x-ray energy, the MCP gain sensitivity as a function of bias voltage decreases. The simulations also demonstrate that for x rays incident normal to the MCP surface, spatial resolution shows little dependence on the x-ray energy but degrades with the increasing x-ray energy as the angle of incidence relative to the surface normal increases. This agrees with experimental measurements. Simulation studies have also been completed for MCPs gated with a subnanosecond voltage pulse. In this work, we find that the optical gate profile width increases as the x-ray energy is increased above 5 keV, a consequence of increased x-ray penetration at energies >5 keV. Simulations of the pulsed dynamic range show that the dynamic range varies between ~100 and 1000 depending on x-ray energy and peak voltage.

47 OTHER INSTRUMENTATION↗