Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Time 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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Active Dendrite Suppression by Ferroelectric Membrane Separators in Rechargeable Batteries

Anodic dendrite formation is a critical issue in rechargeable batteries and often leads to poor cycling stability and quick capacity loss. Prevailing strategies for dendrite suppression aim at slowing down the growth rate kinetically but still leaving possibilities for dendrite evolution over time. Herein, we report a complete dendrite elimination strategy using a mesoporous ferroelectric polymer membrane as the battery separator. The dendrite suppression is realized by spontaneously reversing the surface energetics for metal ion reduction at the protrusion front, where a positive piezoelectric polarization is generated and superimposed as the protrusion compresses the separator. This effect is demonstrated first in a Zn electroplating process, and further in Zn–Zn symmetric cells and Zn–NaV 3 O 8 ·1.5H 2 O full cells, where the dendritic Zn anode surfaces are completely turned into featureless flat surfaces. Consequently, a substantially longer charging/discharging cycle is achieved. Furthermore, this study provides a promising pathway toward high-performance dendrite-free rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Real-Time TEM Study of Nanopore Evolution in Battery Materials and Their Suppression for Enhanced Cycling Performance

Battery materials, which store energy by combining mechanisms of intercalation, conversion, and alloying, give promisingly high energy density but usually suffer from fast capacity decay due to the drastic volume change upon cycling. Particularly, the significant volume shrinkage upon mass (Li + , Na + , etc.) extraction inevitably leads to the formation of pores in materials and their final pulverization after cycling. It is necessary to explore the failure mechanism of such battery materials from the microscopic level in order to understand the evolution of porous structures. In this work, prototyped Sb 2 Se 3 nanowires are targeted to understand the structural failures during repetitive (de)sodiation, which exhibits mainly alloying and conversion mechanisms. The fast growing nanosized pores embedded in the nanowire during desodiation are identified to be the key factor that weakens the mechanical strength of the material and thus cause a rapid capacity decrease. To suppress the pore development, we further limit the cutoff charge voltage in a half-cell against Na below a critical value where the conversion reaction of such a material system is yet happening, the result of which demonstrates significantly improved battery performance with well-maintained structural integrity. These results may shed some light on electrode failure investigation and rational design of advanced electrode materials with long cycling life.

25 ENERGY STORAGE↗
DOE OSTI2019

Polarimetric Radar Convective Cell Tracking Reveals Large Sensitivity of Cloud Precipitation and Electrification Properties to CCN

Deep convective clouds are propelled by rising air currents and are composed of cloud droplets that nucleate on CCN aerosols. Isolating the effects of CAPE and N CCN on cloud properties has been an unresolved challenge. Tracking the time-height evolution of a large number of individual summer convective storm cells in the Houston area under various CAPE and N CCN shows their relations to the storm's dynamics, precipitation, and electrification processes. The results show that increased N CCN invigorates the convection, produces larger hydrometeors, and enhances lightning. Variability in N CCN was found to be more important than variability in CAPE, cloud base height, and wind shear in explaining the variability of the vigor and electrification of deep convective clouds in the study area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Covariation of Slab Tracers, Volatiles, and Oxidation During Subduction Initiation

Abstract Subduction‐related lavas have higher Fe 3+ /∑Fe than midocean ridge basalts (MORB). Hypotheses for this offset include imprint from subducting slabs and differentiation in thickened crust. These ideas are readily tested through examination of the time‐dependent evolution of slab‐derived signatures, thickening crust of the overriding plate, and evolving redox during subduction initiation. Here, we present Fe 3+ /ΣFe and volatile element abundances of volcanic glasses recovered from International Ocean Discovery Program (IODP) Expedition 352 to the Izu‐Bonin‐Mariana (IBM) forearc. The samples include forearc basalts (FAB) that are stratigraphically overlain by low‐ and high‐silica boninite lavas. The FAB glasses have 0.18–0.85 wt% H 2 O, 75–233 ppm CO 2 , S contents controlled by saturation with a sulfide phase (602–1,386 ppm), Ba/La from 3.9‐10, and Fe 3+ /ΣFe ratios from 0.136 to 0.177. These compositions are similar to MORB and suggest that decompression melting of dry and reduced mantle dominates the earliest stages of subduction initiation. Low‐ and high‐silica boninite glasses have 1.51–3.19 wt% H 2 O, CO 2 below detection, S contents below those required for sulfide saturation (5–235 ppm), Ba/La from 11 to 29, and Fe 3+ /∑Fe from 0.181 to 0.225. The compositions are broadly similar to modern arc lavas in the IBM arc. These data demonstrate that the establishment of fluid‐fluxed melting of the mantle, which occurs in just 0.6–1.2 my after subduction initiation, is synchronous with the production of oxidized, mantle‐derived magmas. The coherence of high Fe 3+ /∑Fe and Ba/La ratios with high H 2 O contents in Expedition 352 glasses and the modern IBM arc rocks strongly links the production of oxidized arc magmas to signatures of slab dehydration.

Brounce, Maryjo↗
DOE OSTI2021

Diffusion-to-Imbibition Transition in Water Sorption in Nanoporous Media: Theoretical Studies

The ability to predict multiphase fluid transport in nanoporous rocks such as shales is critical for many geoscience applications, for example unconventional hydrocarbon production, geologic carbon sequestration, and nuclear waste disposal. When the pore sizes approach nanoscales, the impact of the molecular interaction forces between fluids and solids becomes increasingly important. These forces can alter macroscopic fluid phase behavior and control transport. Recent experimental studies have shown that capillary condensation and subsequent imbibition of liquid water can occur in hydrophilic nanoporous media even if the vapor phase is at a critical relative humidity (rhcrit) well below vapor saturation. This study presents a theoretical investigation of the processes controlling adsorption, capillary condensation and imbibition in nanoporous media, using the square-gradient classical density functional theory. The proposed theoretical model explicitly includes the relevant interaction forces among fluids and solids in macroscopic porous media. Application of the model to a relative-humidity-controlled water adsorption experiment is presented to demonstrate the impact of water-pore wall attractive forces on multiphase water behavior in a hydrophilic silicon nanoporous medium. Here, the model represents well the measured time-dependent evolution of the water imbibition front inside the nanoporous medium and also explains the diffusion-like water transport regimes observed at rh < rh crit and the imbibition-like flow regimes observed at rh > rh crit . The study furthermore gives an insight on hysteresis phenomenon in adsorption and desorption isotherms.

58 GEOSCIENCES↗
DOE OSTI2022

Modeling Snow Dynamics and Stable Water Isotopes Across Mountain Landscapes

Abstract A coupled hydrologic and snowpack stable water isotope model assesses controls on isotopic inputs across a mountainous basin. Annually, the most depleted isotope conditions occur in the upper subalpine where snow accumulation is high, and rainfall is low. Snowmelt isotopic evolution over time indicates fractionation processes account for <25% snowmelt enrichment. Meltwater isotopic inputs are largely determined by controls on the amount, phase and isotopic mass of precipitation coincident with the ablation period. Effect of vapor loss from the snowpack on d‐excess in snowmelt is a balance between energy and snow‐availability. It is highest above treeline, and in the grass and aspen‐dominated portions of the upper montane where vegetation shading is low. Deep snowpack in conifer forests limit the influence of vapor loss in the subalpine. Wet years reduce the effects of vapor loss on snowmelt across the basin, except in the lower montane where added snowfall bolsters snow‐limited conditions.

58 GEOSCIENCES↗
DOE OSTI2024

A Mass‐Conserving‐Perceptron for Machine‐Learning‐Based Modeling of Geoscientific Systems

Although decades of effort have been devoted to building Physical-Conceptual (PC) models for predicting the time-series evolution of geoscientific systems, recent work shows that Machine Learning (ML) based Gated Recurrent Neural Network technology can be used to develop models that are much more accurate. However, the difficulty of extracting physical understanding from ML-based models complicates their utility for enhancing scientific knowledge regarding system structure and function. Here, we propose a physically interpretable Mass-Conserving-Perceptron (MCP) as a way to bridge the gap between PC-based and ML-based modeling approaches. The MCP exploits the inherent isomorphism between the directed graph structures underlying both PC models and GRNNs to explicitly represent the mass-conserving nature of physical processes while enabling the functional nature of such processes to be directly learned (in an interpretable manner) from available data using off-the-shelf ML technology. As a proof of concept, we investigate the functional expressivity (capacity) of the MCP, explore its ability to parsimoniously represent the rainfall-runoff (RR) dynamics of the Leaf River Basin, and demonstrate its utility for scientific hypothesis testing. To conclude, we discuss extensions of the concept to enable ML-based physical-conceptual representation of the coupled nature of mass-energy-information flows through geoscientific systems.

58 GEOSCIENCES↗
DOE OSTI2025

Observations of Subduction, Downward Heat Flux and Dense Filament Collapse in the Northern Gulf of Mexico

Submesoscale processes are important contributors to the global heat budget and generally support upward heat transport through restratification. However, in salinity‐stratified regions, such as the northern Gulf of Mexico with its influx of freshwater from the Mississippi‐Atchafalaya river system, temperature can act like a passive tracer and submesoscale processes can contribute to downward heat transport. Oceanic heat content is a factor in many environmental risks the region faces, for example, hurricane intensification, and marine heatwaves. During the 2022 field campaign of the Submesoscales Under Near‐Resonant Inertial Shear Experiment, a sampling plan was developed to study such submesoscale processes in high resolution. Over 31 hr, four assets (two research ships and two remotely controlled boats) drove in parallel across a dense filament, capturing its evolution in time and space. The observations show that surface waters, warmed by daytime solar radiation, were subducted and that the associated overturning circulation transported heat below the surface layer where it was later irreversibly mixed away. The estimated downward heat flux was as strong as the concurrent net air‐sea heat flux into the ocean. The filament was then observed to rapidly collapse which we attribute to boundary layer turbulence and the breakdown of geostrophic balance. The collapsing fronts display behaviors indicative of gravity currents. These observations highlight how in salinity‐stratified regions, frontal dynamics can be associated with downward heat flux and how the submesoscale can play an important role in the oceanic heat budget.

58 GEOSCIENCES↗
DOE OSTI2025

A small core in Vesta inferred from Dawn’s observations

Vesta’s large-scale interior structure had previously been constrained primarily using the gravity and shape data from the Dawn mission. However, these data alone still allow a wide range of possibilities for the differentiation state of the body. The moment of inertia is arguably the most diagnostic parameter related to the radial density distribution of a planetary body, making it crucial for assessing the body’s state of internal differentiation. Determining the moment of inertia requires additional measurements of the amplitudes of small rotational motions, such as precession and nutation. Here we report an updated estimate of the moment of inertia of Vesta inferred from Dawn’s Doppler tracking via the Deep Space Network and onboard imaging data. The recovered value for Vesta’s normalized polar moment of inertia is $\overline{C}$/MR 2 = 0.4208 ± 0.0047 (where M is the mass of Vesta and R is the reference radius), which is only 6.6% lower than the homogeneous value of 0.4505. This value, combined with the gravity field and global shape, suggests that Vesta’s interior has limited density stratification beneath its howardite–eucrite–diogenite-dominated crust. We propose two possible origin scenarios that are consistent with the observed constraints. In the first scenario, Vesta’s interior did not undergo full differentiation due to late accretion. In the second scenario, Vesta originated as an impact remnant of a larger differentiated body re-accreted with non-chondritic bulk composition produced from a catastrophic impact. Vesta did not experience complete differentiation in either scenario, suggesting that its current state reflects a complex interplay between its accretion timing, thermal evolution, redistribution of 26 Al bearing melt and/or impact processes.

CNEOS 2014-01-08 bolide↗
DOE OSTI2023

Challenges and opportunities for the mechanical reliability of metal halide perovskites and photovoltaics

The unproven reliability of perovskite photovoltaics (PVs) is likely to pose an important technical hurdle in the path towards the widespread deployment of the technology. The overall reliability of perovskite PVs is directly afected by the mechanical reliability of the metal halide perovskite material, cells and modules, but this issue has been largely overlooked. Here we stress the importance of addressing the mechanical reliability issue comprehensively. We highlight the important challenges and opportunities, together with best practices, pertaining to the three key interrelated elements that determine the mechanical reliability of perovskite PVs: driving stresses, mechanical properties and mechanical failure. Here, we discuss how to measure the driving stresses and mechanical properties accurately, together with their evolution over time, and the need to understand the relevant failure mechanisms and coupled efects. This efort will inform scientifc approaches to making perovskite PVs more reliable and durable and help them reach their full potential.

14 SOLAR ENERGY↗
DOE OSTI2020

Local negative permittivity and topological phase transition in polar skyrmions

Topological solitons such as magnetic skyrmions have drawn attention as stable quasi-particle-like objects. The recent discovery of polar vortices and skyrmions in ferroelectric oxide superlattices has opened up new vistas to explore topology, emergent phenomena and approaches for manipulating such features with electric fields. Using macroscopic dielectric measurements, coupled with direct scanning convergent beam electron diffraction imaging on the atomic scale, theoretical phase-field simulations and second-principles calculations, we demonstrate that polar skyrmions in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices are distinguished by a sheath of negative permittivity at the periphery of each skyrmion. This enhances the effective dielectric permittivity compared with the individual SrTiO 3 and PbTiO 3 layers. Moreover, the response of these topologically protected structures to electric field and temperature shows a reversible phase transition from the skyrmion state to a trivial uniform ferroelectric state, accompanied by large tunability of the dielectric permittivity. Pulsed switching measurements show a time-dependent evolution and recovery of the skyrmion state (and macroscopic dielectric response). The interrelationship between topological and dielectric properties presents an opportunity to simultaneously manipulate both by a single, and easily controlled, stimulus, the applied electric field. Polar skyrmions are topologically protected structures that can exist in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices. Here, it is shown that they have negative permittivity at the surface, and that they can undergo a reversible phase transition with large dielectric tunability under an electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Observation of inverse Compton emission from a long γ-ray burst

Long-duration γ-ray bursts (GRBs) originate from ultra-relativistic jets launched from the collapsing cores of dying massive stars. They are characterized by an initial phase of bright and highly variable radiation in the kiloelectronvolt-to-megaelectronvolt band, which is probably produced within the jet and lasts from milliseconds to minutes, known as the prompt emission. Subsequently, the interaction of the jet with the surrounding medium generates shock waves that are responsible for the afterglow emission, which lasts from days to months and occurs over a broad energy range from the radio to the gigaelectronvolt bands. The afterglow emission is generally well explained as synchrotron radiation emitted by electrons accelerated by the external shock. Recently, intense long-lasting emission between 0.2 and 1 teraelectronvolts was observed from GRB 190114C. Here we report multi-frequency observations of GRB 190114C, and study the evolution in time of the GRB emission across 17 orders of magnitude in energy, from 5 × 10 -6 to 10 12 electronvolts. We find that the broadband spectral energy distribution is double-peaked, with the teraelectronvolt emission constituting a distinct spectral component with power comparable to the synchrotron component. This component is associated with the afterglow and is satisfactorily explained by inverse Compton up-scattering of synchrotron photons by high-energy electrons. Finally, we find that the conditions required to account for the observed teraelectronvolt component are typical for GRBs, supporting the possibility that inverse Compton emission is commonly produced in GRBs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Lineshape characterization of excitons in monolayer WS 2 by two-dimensional electronic spectroscopy

The optical properties of monolayer transition metal dichalcogenides (TMDCs), an important family of two-dimensional (2D) semiconductors for optoelectronic applications, are dominated by two excitons A (XA) and B (XB) located at K/K's valleys. The lineshape of the excitons is an indicator of the interaction of the excitons with other particles and also largely determines the performance of TMDC-based optoelectronic devices. In this work, we apply 2D electronic spectroscopy (2DES), which enables separation of the intrinsic homogeneous linewidth and the extrinsic inhomogeneous linewidth, to dissect the lineshape of XA in monolayer WS 2 . With a home-built broadband optical parametric amplifier, the 2D spectra give the exciton linewidth values for extensive ranges of excitation densities and temperatures, reflecting inter-exciton and exciton–phonon interactions. Meanwhile, the time-domain evolution of the lineshape reveals a similar rate of spectral diffusion to that in quantum wells (QWs) based on III–V semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Deceleration-stage Rayleigh–Taylor growth in a background magnetic field studied in cylindrical and Cartesian geometries

Experiments have identified the Rayleigh–Taylor (RT) instability as one of the greatest obstacles to achieving inertial confinement fusion. Consequently, mitigation strategies to reduce RT growth and fuel–ablator mixing in the hotspot during the deceleration phase of the implosion are of great interest. In this work, the effect of seed magnetic fields on deceleration-phase RT growth are studied in planar and cylindrical geometries under conditions relevant to the National Ignition Facility (NIF) and Omega experiments. The magnetohydrodynamic (MHD) and resistive-MHD capabilities of the FLASH code are used to model imploding cylinders and planar blast-wave-driven targets. Realistic target and laser parameters are presented that suggest the occurrence of morphological differences in late-time RT evolution in the cylindrical NIF case and a measurable difference in spike height of single-mode growth in the planar NIF case. The results of this study indicate the need for target designs to utilize an RT-unstable foam–foam interface in order to achieve sufficient magnetic field amplification to alter RT evolution. Benchmarked FLASH simulations are used to study these magnetic field effects in both resistive and ideal MHD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

NBI optimization on SMART and implications for scenario development

Abstract The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. This work explores the benefits of auxiliary heating through Neutral Beam Injection (NBI) for SMART scenarios beyond the initial Ohmic phase of operations, in support of the device’s mission. Expected values of electron and ion temperature achievable with NBI heating are first predicted for the current flat-top phase, including modeling to optimize the NBI injection geometry to maximize NBI absorption and minimize losses for a given equilibrium. Simulations are then extended for a selected case to cover the current ramp-up phase. Differences with results obtained for the flat-top phase indicate the importance of determining the plasma evolution over time, as well as self-consistently determining the edge plasma parameters for reliable time-dependent simulations. Initial simulation results indicate the advantage of auxiliary NBI heating to achieve nearly double values of pressure and stored energy compared to Ohmic discharges, thus significantly increasing the device’s performance. The scenarios developed in this work will also contribute to diagnostic development and optimization for SMART, as well as providing test cases for initial predictions of macro- and micro-instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Jamming and Tiling in Aggregation of Rectangles

We study a random aggregation process involving rectangular clusters. In each aggregation event, two rectangles are chosen at random and if they have a compatible side, either vertical or horizontal, they merge along that side to form a larger rectangle. Starting with N identical squares, this elementary event is repeated until the system reaches a jammed state where each rectangle has two unique sides. The average number of frozen rectangles scales as N α in the large-N limit. The growth exponent α = 0.229 ± 0.002 characterizes statistical properties of the jammed state and the time-dependent evolution. We also study an aggregation process where rectangles are embedded in a plane and interact only with nearest neighbors. In the jammed state, neighboring rectangles are incompatible, and these frozen rectangles form a tiling of the two-dimensional domain. Here in this case, the final number of rectangles scales linearly with system size.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Solving Newton’s equations of motion with large timesteps using recurrent neural networks based operators

Classical molecular dynamics simulations are based on solving Newton’s equations of motion. Using a small timestep, numerical integrators such as Verlet generate trajectories of particles as solutions to Newton’s equations. We introduce operators derived using recurrent neural networks that accurately solve Newton’s equations utilizing sequences of past trajectory data, and produce energy-conserving dynamics of particles using timesteps up to 4000 times larger compared to the Verlet timestep. We demonstrate significant speedup in many example problems including 3D systems of up to 16 particles.

Newton’s equations↗