Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Directed evolution”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,045 records · Page 58

Experimental study of high-energy single-pulse nanosecond discharges in pin-to-pin configuration

Single-pulse pin-to-pin nanosecond pulsed discharges in ambient air (gap distances of 3–7 mm) were investigated at high pulse energies (∼20–30 mJ deposited energy per 11 ns full width at half maximum pulse). A Michelson interferometry setup (532 nm continuous-wave laser) was employed to record time-resolved interferograms of the discharge, enabling spatially resolved calculation of the electron number density. An intensified charge-coupled device camera was used to capture the spatiotemporal evolution of the discharge (streamer formation and spark channel development), and Coherent Anti-Stokes Raman Spectroscopy (CARS) was used to measure post-discharge N 2 vibrational temperatures. Discharge current and voltage were monitored with a back-current shunt. The discharge was initiated with simultaneous cathode-directed and anode-directed streamers that bridge the gap within ∼1 ns and form a luminous, filamentary plasma channel immediately after breakdown. Laser interferometry measurements showed peak electron number densities of the order of 10 1 7–10 18 cm −3 , occurring about 15–20 ns after pulse arrival at the discharge gap. Shorter gap discharges yielded higher peak electron densities, consistent with the higher energy density in the smaller gaps. Spatially, the electron density was highest near the electrodes and decreased toward the midgap region, with 5 and 7 mm gaps exhibiting a pronounced drop in the central channel. CARS indicated initial vibrational temperatures of approximately 4000–6000 K in the spark core of ∼50 ns after the discharge onset, decaying on a ∼500 ns timescale as the plasma cooled and recombined.

Coherent anti-Stokes Raman spectroscopy↗

Optimizing detachment control using the magnetic configuration of divertors

Abstract As tokamak research moves to reactor conditions, the control of a stable, optimally-detached divertor plasma has become increasingly relevant. Simple predictions of such detachment control have been performed previously using the detachment location sensitivity (DLS) model (Lipschultz et al 2016 Nucl. Fusion 56 056007). In this study the DLS model is extended and combined with SOLPS-ITER simulations of isolated divertor grids to study the effects of alternate divertor magnetic field properties on detachment control. The DLS model predicts that divertors can achieve easier access to detachment through a long connection length, a high total flux expansion, and a high average magnetic field in the divertor compared with that at the x -point. SOLPS-ITER simulations suggest an even stronger impact of total flux expansion and connection length on detachment access than the DLS model predicts. In terms of detachment evolution, both simulation and modelling show a high gradient in the total magnetic field and low B p o l B are able to more easily keep a detachment front at a desired poloidal location. Regions with no stable detachment front locations can arise for high magnetic field gradients directed towards the target. Significant differences have been found between impurity scan simulations and the DLS model. These differences may be attributed to sources and sinks of power and electron pressure, and should be explored further in future work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Distance Estimate Method for Asymptotic Giant Branch Stars Using Infrared Spectral Energy Distributions

We present a method to estimate distances to asymptotic giant branch (AGB) stars in the Galaxy, using spectral energy distributions (SEDs) in the near- and mid-infrared. By assuming that a given set of source properties (initial mass, stellar temperature, composition, and evolutionary stage) will provide a typical SED shape and brightness, sources are color matched to a distance-calibrated template and thereafter scaled to extract the distance. The method is tested by comparing the distances obtained to those estimated from very long baseline interferometry or Gaia parallax measurements, yielding a strong correlation in both cases. Additional templates are formed by constructing a source sample likely to be close to the Galactic center, and thus with a common, typical distance for calibration of the templates. These first results provide statistical distance estimates to a set of almost 15,000 Milky Way AGB stars belonging to the Bulge Asymmetries and Dynamical Evolution (BAaDE) survey, with typical distance errors of ±35%. With these statistical distances, a map of the intermediate-age population of stars traced by AGBs is formed, and a clear bar structure can be discerned, consistent with the previously reported inclination angle of 30° to the GC–Sun direction vector. These results motivate deeper studies of the AGB population to tease out the intermediate-age stellar distribution throughout the Galaxy, as well as determining statistical properties of the AGB population luminosity and mass-loss-rate distributions.

79 ASTRONOMY AND ASTROPHYSICS↗

Recent progress in understanding solid electrolyte interphase on lithium metal anode

Lithium (Li) metal batteries (LMBs) are among the most promising candidates of next-generation high-energy-density rechargeable batteries. Solid electrolyte interphase (SEI) on Li metal anode plays a significant role which influences the Li deposition morphology and the cycle life of LMBs. Although SEI is the most important part, a thorough understanding of SEI is inadequate. In this review, we focus on the progresses of understanding on structures, properties and influencing factors of SEI as well as efficient strategies of tailoring SEI. First, the compositions, models and recent progresses on characterizing atomic structure of SEI are summarized. Second, the properties of SEI, including electronic conduction, ionic conduction, stability and mechanical properties are elucidated. Structures and properties of SEI are greatly influenced by multiple factors such as solvent, salt, additive, solvation structure, impurity, current density, temperature, pressure and capacity utilization. Thus, interactions between these factors and SEI are comprehensively discussed. Correlations of SEI with Li deposition morphology, rate capability and cycle life are further summarized. Moreover, efficient strategies of tailoring SEI with desired properties, including in-situ SEI and ex-situ SEI are also reviewed. Despite the significant progresses that have been achieved in the researches of SEI, better understanding of SEI is still highly demand. Finally, future directions especially in-operando techniques, multi-modality approaches for characterization of SEI and artificial intelligence assisted understanding of correlation between electrolyte components and SEI properties are proposed.

Wu, Haiping↗

Prognostic simulations of mixed-phase clouds with model AC-1D v1.0: the impact of aerosol types and freezing parameterizations on ice crystal budgets

Mixed-phase clouds at high latitudes contribute to the uncertainty in predicting cloud feedbacks and climate sensitivity, mainly due to the complexity of microphysical processes that influence the partitioning between the supercooled liquid and ice phases, and hence, cloud radiative effects on regional scales. Particularly in Arctic mixed-phase clouds, the activation of ice-nucleating particles (INPs) from various aerosol populations remains a leading source of uncertainty. We developed an aerosol-cloud one-dimensional (AC-1D) model, which provides a novel framework to prognostically treat INP and ice crystal budgets while explicitly accounting for polydisperse and multicomponent aerosol that activate INPs following different freezing parameterizations. The AC-1D model is informed by large-eddy simulations to probe the impact of INP representation on predicted ice crystal number concentrations (N i ) and ice crystal budgets in mixed-phase Arctic stratus. We apply three immersion freezing (IMF) parameterizations, two time-independent (singular) and one time-dependent (classical nucleation theory), to predict the evolution of the INP reservoir and resulting ice crystal budget from polydisperse mineral dust, organic (humic-like substances), and sea spray aerosol particle size distributions. Our analysis focuses on how variations in aerosol number concentration and cloud system parameters such as cloud cooling rate, cloud-top entrainment rate, and ice crystal fall speed influence the INP reservoir and ice crystal budgets. Furthermore, this study investigates the competitive ice nucleation dynamics in mixed aerosol environments and provides a process-level quantification of the INP budget terms, which directly controls ice crystal budgets. For all studied case scenarios, the aerosol types and associated particle size distributions significantly impact INP and N i , and the choice between a time-dependent and a singular freezing description yields orders-of-magnitude differences in the predicted INP and N i over the 10 h simulation time, reflecting typical cloud lifetimes. Our results show that the influence of cloud cooling, INP entrainment, and sedimentation varies significantly depending on the chosen freezing parameterization. These findings underscore the critical need for robust IMF parameterizations and precise cloud system observations to enhance the accuracy of models in predicting mixed-phase cloud structure and evolution.

Arctic clouds↗

Correlating Catalyst Design and Discharged Product to Reduce Overpotential in Li-CO 2 Batteries

Li-CO 2 batteries with dual efficacy for greenhouse gas CO 2 sequestration and high energy output have been regarded as a promising electrochemical energy storage technology. However, battery feasibility has been hampered by inferior electrochemical performance due to large overpotentials and low cyclability primarily caused by the difficult decomposition of ultra-stable Li 2 CO 3 during charge. The use of cathode catalysts has been highlighted as a promising solution and catalyst properties, as well as the nature of discharge products, are closely correlated with electrochemical performance. Here, the catalyst design strategies that include active site enrichment, electrical transport enhancement, and mass transfer improvement are summarized. Catalyst effects on product decomposition are then subsequently introduced, while product geometry and chemical composition will be explored, with an emphasis on the formation/decomposition of Li 2 C 2 O 4 instead of Li 2 CO 3 . Building on previous research, future directions that facilitate improvements in catalyst design are put forward to reinforce the fundamental development of Li-CO 2 batteries.

25 ENERGY STORAGE↗

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗

CROCUS Sodar Measurements of Lower Atmospheric Wind Profiles at Argonne Testbed for Multiscale Observational Science (ATMOS) Site

The Scintec MFAS Sodar (Multiple-Frequency Acoustic Sounder) is an autonomous, ground-based acoustic remote sensing system designed to measure vertical profiles of horizontal wind speed, wind direction, and vertical velocity in the lower atmosphere. The instrument transmits sequences of acoustic pulses and detects the Doppler-shifted sound waves backscattered by small-scale temperature and velocity fluctuations caused by atmospheric turbulence. From these Doppler shifts, the system derives three-dimensional wind vectors by combining radial velocities from multiple beam orientations.The MFAS Sodar operates with a first usable range gate beginning at approximately 30 m above ground level and a configurable vertical resolution of 10 m. Under favorable acoustic conditions, the system provides wind profiles extending up to 600 m above ground level. Measurements are processed into 15-minute averaged profiles containing wind speed, direction, vertical velocity, and diagnostic quantities such as signal-to-noise ratio and echo strength.This dataset was collected at the Argonne Testbed for Multiscale Observational Science (ATMOS) facility in Lemont, Illinois, as part of DOE's CROCUS Urban Integrated Field Laboratory (UIFL) initiative. The purpose of these observations is to characterize the vertical wind structure and boundary-layer evolution across the urban–suburban gradient of the greater Chicago region. In particular, these data are intended to improve understanding of how local meteorology, such as lake-breeze penetration, nocturnal jets, and daytime mixing, varies between the densely built urban core and the suburban periphery. The MFAS observations provide critical context for evaluating high-resolution model simulations and for integrating with complementary lidar, radar, and in-situ meteorological measurements within the broader CROCUS UIFL network.All data are archived in NetCDF (Network Common Data Form) format and include wind and diagnostic parameters. The files can be accessed and analyzed using standard software that supports NetCDF, such as Python (e.g., xarray, netCDF4), MATLAB, R (e.g., ncdf4, raster), or Panoply (NASA’s NetCDF visualization application).

54 ENVIRONMENTAL SCIENCES↗

Scale interactions and anisotropy in Rayleigh–Taylor turbulence

We study energy scale transfer in Rayleigh–Taylor (RT) flows by coarse graining in physical space without Fourier transforms, allowing scale analysis along the vertical direction. Two processes are responsible for kinetic energy flux across scales: baropycnal work Λ, due to large-scale pressure gradients acting on small scales of density and velocity; and deformation work Π, due to multiscale velocity. Our coarse-graining analysis shows how these fluxes exhibit self-similar evolution that is quadratic-in-time, similar to the RT mixing layer. We find that Λ is a conduit for potential energy, transferring energy non-locally from the largest scales to smaller scales in the inertial range where Π takes over. In three dimensions, Π continues a persistent cascade to smaller scales, whereas in two dimensions Π rechannels the energy back to larger scales despite the lack of vorticity conservation in two-dimensional (2-D) variable density flows. This gives rise to a positive feedback loop in 2-D RT (absent in three dimensions) in which mixing layer growth and the associated potential energy release are enhanced relative to 3-D RT, explaining the oft-observed larger α values in 2-D simulations. Despite higher bulk kinetic energy levels in two dimensions, small inertial scales are weaker than in three dimensions. Moreover, the net upscale cascade in two dimensions tends to isotropize the large-scale flow, in stark contrast to three dimensions. Furthermore, our findings indicate the absence of net upscale energy transfer in three-dimensional RT as is often claimed; growth of large-scale bubbles and spikes is not due to ‘mergers’ but solely due to baropycnal work Λ.

42 ENGINEERING↗

In Situ and Operando Observation of Zinc Moss Growth and Dissolution in Alkaline Electrolyte for Zinc–Air Batteries

As a promising battery technology, zinc–air batteries still face significant challenges, including the formation of a mossy structure on the zinc metal anode in alkaline electrolyte. Because a similar phenomenon also plagues lithium and sodium metal batteries, elucidating its mechanism has important implications for progress in energy storage. Herein, operando X-ray nanotomography was employed to visualize zinc moss growth and dissolution at the individual colony level. By tracking its microstructure evolution, zinc moss was found to display irreversible plating/stripping behavior. While zinc moss exhibits self-limiting growth and zinc deposition occurs mainly in its outer region, zinc dissolution is more uniformly distributed inside the moss colony upon stripping, leading to the formation of “dead” zinc and capacity loss. A direct correlation is established between the moss amount and zinc plating/stripping efficiency. Finally, results from this study offer new insights into mitigating the unstable zinc plating morphology and improving the cycle life of aqueous zinc–air batteries.

36 MATERIALS SCIENCE↗

Oxygen vacancy dynamics in monoclinic metallic VO 2 domain structures

It was demonstrated recently that the nano-optical and nanoelectronic properties of VO 2 can be spatially programmed through the local injection of oxygen vacancies by atomic force microscope writing. In this work, we study the dynamic evolution of the patterned domain structures as a function of the oxygen vacancy concentration and the time. A threshold doping level is identified that is critical for both the metal–insulator transition and the defect stabilization. The diffusion of oxygen vacancies in the monoclinic phase is also characterized, which is directly responsible for the short lifetimes of sub-100 nm domain structures. This information is imperative for the development of oxide nanoelectronics through defect manipulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the statistical theory of self-gravitating collisionless dark matter flow: High order kinematic and dynamic relations

Dark matter, if it exists, accounts for five times as much as ordinary baryonic matter. To better understand the self-gravitating collisionless dark matter flow on different scales, a statistical theory involving kinematic and dynamic relations must be developed for different types of flow, e.g., incompressible, constant divergence, and irrotational flow. This is mathematically challenging because of the intrinsic complexity of dark matter flow and the lack of a self-closed description of flow velocity. Here, this paper extends our previous work on second-order statistics Xu to kinematic relations of any order for any type of flow. Dynamic relations were also developed to relate statistical measures of different orders. The results were validated by N-body simulations. On large scales, we found that (i) third-order velocity correlations can be related to density correlation or pairwise velocity; (ii) the pth-order velocity correlations follow ∝ a (p+2)/2 for odd p and ∝ a p/2 for even p, where a is the scale factor; (iii) the overdensity δ is proportional to density correlation on the same scale, $\langle$δ$\rangle$∝$\langle$δδ'$\rangle$; (iv) velocity dispersion on a given scale r is proportional to the overdensity on the same scale. On small scales, (i) a self-closed velocity evolution is developed by decomposing the velocity into motion in haloes and motion of haloes; (ii) the evolution of vorticity and enstrophy are derived from the evolution of velocity; (iii) dynamic relations are derived to relate second- and third-order correlations; (iv) while the first moment of pairwise velocity follows $\langle$Δu L $\rangle$=-Har (H is the Hubble parameter), the third moment follows $\langle$(Δu L ) 3 $\rangle$ ∝ ε u ar that can be directly compared with simulations and observations, where ε u ≈ 10 -7 m 2 /s 3 is the constant rate for energy cascade; (v) the pth order velocity correlations follow ∝ a (3p-5)/4 for odd p and ∝ a 3p/4 for even p. Finally, the combined kinematic and dynamic relations lead to exponential and one-fourth power-law velocity correlations on large and small scales, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Collaborative Research: The Evolution of Magnetic Skeletons During 3D Reconnection. Final report

We investigated how the plasmoid instability affects the evolution of topological features of a magnetic field and the process of magnetic reconnection with three sub-projects. (i) We extensively studied the criterion for plasmoid-mediated current sheet disruption and the onset of fast reconnection. Scaling relations with respect to plasma parameters have been established, using both direct numerical simulations and analytic theories, for the disruption time, the current sheet width, the instability linear growth rate, and the dominant mode wavenumber. (ii) We applied the theories of plasmoid-mediated current sheet disruption to magnetohydrodynamic turbulence and predicted a steepening of the turbulence energy spectrum. This steepening has been confirmed by direct numerical simulations. (iii) We performed numerical simulations of ultraviolet burst events in the solar atmosphere with a spine-dome magnetic topology. The plasmoid instability leads to unsteady reconnection, which is consistent with solar observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Microstructural evolution in shear-punch tests: A comparative study of pure Cu and Cu-Cr alloy

Understanding the mechanisms behind microstructural evolution during shear deformation has been a long-standing area of interest. However, establishing a connection between microstructure, mechanical properties, and extent of shear deformation is challenging and requires refined experimental approaches. Shear-punch testing (SPT) provides a controlled method to introduce shear into small volumes of material that later can be subjected to detailed microstructural characterization. In this study, we utilize an SPT device to induce shear deformation to pure copper and a binary copper-chromium alloy. Electron backscatter diffraction and transmission electron microscopy were used to study the mechanisms of plastic deformation after SPT. Our results indicate that shear deformation of pure Cu produces a dense network of intercepting microshear bands upon sustained deformation. Twin boundaries undergo degradation into high angle grain boundaries due to simultaneous deviation from the axis-angle pair condition of 60° misorientation on [111] direction. The presence of 50% volume Cr particles in the soft Cu matrix fundamentally altered the shear deformation mechanism. Preferential deformation of the Cu matrix led to accelerated shear-induced formation of low and high angle grain boundaries, and subsequent grain refinement. Comparatively, no grain refinement occurred in pure Cu at a strain ~10 times larger (ϵ = 4.73) than that of the copper-chromium case (ϵ = 0.42). Overall, our study sheds light on the microstructural evolution during shear deformation and highlights the significant influence of particle reinforcements on the shear deformation mechanisms of metals.

36 MATERIALS SCIENCE↗

How the Arrangement of Platinum Atoms on Ruthenium Nanoparticles Improves Hydrogen Evolution Activity

The platinum‐ruthenium (PtRu) system is highly active for hydrogen evolution reaction (HER) in alkaline media with both Pt and Ru playing active roles in the water dissociation step that generates adsorbed hydrogen atoms. Precise control of the arrangement of Pt atoms on Ru nanoparticles can maximize the Pt‐Ru sites for water dissociation and Pt‐Pt sites for hydrogen production and can considerably improve HER catalytic performance. By directing the growth and distribution of Pt on Ru hourglass nanoparticles, the arrangement of Pt on Ru is controlled into forming Pt islands, small Pt clusters, and strings of a few Pt atoms. Calculations show that the unique atomic string arrangements of Pt on Ru is the thermodynamically favorable configuration. Additionally, these strings have a favorable combination of Pt‐Ru and Pt‐Pt sites, making the Pt‐string on Ru the most active catalyst with a more than fivefold increase in turnover frequency for alkaline HER compared to the Pt‐island on Ru catalyst. The results show how controlling the Pt atomic arrangement on Ru nanoparticle surfaces for the tuning of Pt‐Pt and Pt‐Ru neighboring sites can direct toward a more efficient HER mechanism and thereby significantly enhancing HER performance.

36 MATERIALS SCIENCE↗

Evolutionary history, potential intermediate animal host, and cross-species analyses of SARS-CoV-2

To investigate the evolutionary history of the recent outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in China, a total of 70 genomes of virus strains from China and elsewhere with sampling dates between 24 December 2019 and 3 February 2020 were analyzed. To explore the potential intermediate animal host of the SARS-CoV-2 virus, we reanalyzed virome data sets from pangolins and representative SARS-related coronaviruses isolates from bats, with particular attention paid to the spike glycoprotein gene. We performed phylogenetic, split network, transmission network, likelihood-mapping, and comparative analyses of the genomes. Additionally, based on Bayesian time-scaled phylogenetic analysis using the tip-dating method, we estimated the time to the most recent common ancestor and evolutionary rate of SARS-CoV-2, which ranged from 22 to 24 November 2019 and 1.19 to 1.31 × 10 -3 substitutions per site per year, respectively. Our results also revealed that the BetaCoV/bat/Yunnan/RaTG13/2013 virus was more similar to the SARS-CoV-2 virus than the coronavirus obtained from the two pangolin samples (SRR10168377 and SRR10168378). We also identified a unique peptide (PRRA) insertion in the human SARS-CoV-2 virus, which may be involved in the proteolytic cleavage of the spike protein by cellular proteases, and thus could impact host range and transmissibility. Interestingly, the coronavirus carried by pangolins did not have the RRAR motif. Therefore, we concluded that the human SARS-CoV-2 virus, which is responsible for the recent outbreak of COVID-19, did not come directly from pangolins.

59 BASIC BIOLOGICAL SCIENCES↗