Search NASA⌕ Search

SEARCH · Search NASA

Results for “Evolution operators”

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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Transfer Operator Framework for Earth System Predictability and Water Cycle Extremes

For chaotic dynamical systems, nonlinear instabilities lead to exponentially divergent trajectories in the evolution of system states. Unless a simulation is initialized with an infinite-precision snapshot of the state of the true system and all known physical effects that go into its evolution are directly computed, the future state predicted by the simulation will quickly diverge from that of the true system. Moreover, the Earth system is highly structured and contains localized coherent structures that are particularly important to predict. Predicting extreme events associated with coherent structures, like hurricanes and blocking events, is crucial for understanding the effects of global warming on the water cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Transfer Operator Framework for Earth System Predictability and Water Cycle Extremes

For chaotic dynamical systems, nonlinear instabilities lead to exponentially divergent trajectories in the evolution of system states. Unless a simulation is initialized with an infinite-precision snapshot of the state of the true system and all known physical effects that go into its evolution are directly computed, the future state predicted by the simulation will quickly diverge from that of the true system. Moreover, the Earth system is highly structured and contains localized coherent structures that are particularly important to predict. Predicting extreme events associated with coherent structures, like hurricanes and blocking events, is crucial for understanding the effects of global warming on the water cycle.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Climate change impacts on wind power generation

Wind energy is a virtually carbon-free and pollution-free electricity source, with global wind resources greatly exceeding electricity demand. Accordingly, the installed capacity of wind turbines grew at an annualized rate of >20% from 2000 to 2019 and is projected to increase by a further 50% by the end of 2023. Here, in this Review, we describe the factors that dictate the wind resource magnitude and variability and illustrate the tools and techniques that are being used to make projections of wind resources and wind turbine operating conditions. Natural variability due to the action of internal climate modes appears to dominate over global-warming-induced non-stationarity over most areas with large wind energy installations or potential. However, there is evidence for increased wind energy resources by the end of the current century in northern Europe and the US Southern Great Plains. New technology trends are changing the sensitivity of wind energy to global climate non-stationarity and, thus, present new challenges and opportunities for innovative research. The evolution of climate modelling to increasingly address mesoscale processes is providing improved projections of both wind resources and wind turbine operating conditions, and will contribute to continued reductions in the levelized cost of energy from wind power generation.

17 WIND ENERGY↗
DOE OSTI2014

Parameters and abundances in luminous stars

Parameters and abundances for 451 stars of spectral types F, G, and K of luminosity classes I and II have been derived. Absolute magnitudes and E(B – V) have been derived for the warmer stars in order to investigate the galactic abundance gradient. The value found here: d[Fe/H]/dR ∼ –0.06 dex kpc{sup –1}, agrees well with previous determinations. Stellar evolution indicators have also been investigated with the derived C/O ratios indicating that standard CN processing has been operating. Perhaps the most surprising result found in these supposedly relatively young intermediate-mass stars is that both [O/Fe] and [C/Fe] show a correlation with [Fe/H] much the same as found in older populations. While the stars were selected based on luminosity class, there does exist a significant [Fe/H] range in the sample. The likely explanation of this is that there is a significant range in age in the sample; that is, some of the sample are low-mass red-giant stars with types that place them within the selection criteria.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Experimental studies on the effects of sheet resistance and wettability of catalyst layer on electro-catalytic activities for oxygen evolution reaction in proton exchange membrane electrolysis cells

As the most important part of electrochemical reaction in proton exchange membrane electrolysis cells (PEMECs) for water splitting, oxygen evolution reaction (OER) occurs at the anode catalyst layer (CL). The distribution of the OER site is affected by many factors, such as properties of CL, operation parameters, procedures, etc. To study the effects of properties of CLs on the distribution of OER site on the CL, and consequently affect the performance of PEMECs, CLs with different sheet resistances are tested under different operation conditions. Furthermore, the phenomena of OER on CLs are captured by a high-speed and micro-scale visualization system in-situ and analysed coupled with electrochemical results. The results in this work show that both sheet resistance and wettability of CLs have significant impact on the distribution of the OER site, which can help optimize the design of membrane electrode assembly and improve the operating parameters for electrochemical devices.

08 HYDROGEN↗
DOE OSTI2019

Dual Atmosphere Isothermal Aging and Rapid Thermal Cycling of Ag-Ni and Ag-CuO Stainless Steel to Zirconia Braze Joints

Silver—copper oxide brazes are commonly used to bond zirconia to stainless steel (SS) for Solid Oxide Fuel Cell (SOFC) and other high temperature joining applications. In fact, conventional Ag-CuO compositions (where Cu segregates to the surface, oxidizes, and reduces the silver wetting angle on zirconia from ~85 to ~40°) allow brazing to be performed in air. Unfortunately, the relatively high ~40° wetting angles of these reactive air brazes, and the ability of SOFC anode gases to reduce the CuO in them, produce pores during SOFC manufacturing and operation that reduce joint strength, impermeability, and longevity. Recently, Ag brazes utilizing transient porous nickel layers, instead of CuO additions, have been shown to produce high quality braze joints between SS and yttria stabilized zirconia (YSZ). Here, the microstructural and compositional evolution of SS|Ag-3CuO|YSZ and SS|Ag-Ni|YSZ braze joints exposed to air on one side and humidified 4%H 2 -96%N 2 on the other side for either ~300 hours of ~750°C aging or ~300 25°C/min 35–830°C rapid thermal cycles are compared. While both brazes display considerable microstructural and compositional evolution, only the Ag-Ni brazes remain pore free and well bonded, indicating that Ag-Ni brazes may be more suitable for long term SOFC operation.

25 ENERGY STORAGE↗
DOE OSTI2019

The Roles of Oxide Growth and Sub-Surface Facets in Oxygen Evolution Activity of Iridium and Its Impact on Electrolysis

This paper combines density functional theory calculations and electrochemical testing to study activity differences among iridium (Ir) surfaces in the oxygen evolution reaction. Ir metal/hydroxide is significantly more active than Ir oxide, which may be due to oxide skins at the surface weakening O-binding relative to pure metal or oxide surfaces. Here we report a disparity in activity between Ir and Ir oxide in half-cells not observed in single-cells. Extended operation at elevated temperature and potential were found to result in oxide growth, limiting how surface differences affect electrolyzer performance. Comparisons of half- and single-cell testing were used to assess how well rotating disk electrode testing predicts membrane electrode assembly performance and durability. Although oxygen evolution activities in half-cells can translate to single-cells, standard rotating disk electrode test procedures can exaggerate the activity benefit of a metal/hydroxide surface relative to membrane electrode assembly performance under typical operating conditions; it also appears that a half-cell test cannot reasonably accelerate activity loss from continual operation. While a variety of novel catalyst approaches, including alloying, faceting, morphology, and supports can improve oxygen evolution kinetics, these results suggest that Ir surfaces at different oxide states may struggle to improve performance at the device level.

36 MATERIALS SCIENCE↗
DOE OSTI2017

On the transcritical mixing of fuels at diesel engine conditions

Whilst the physics of both classical evaporation and supercritical fluid mixing are reasonably well characterized and understood in isolation, little is known about the transition from one to the other in the context of liquid fuel systems. The lack of experimental data for microscopic droplets at realistic operating conditions impedes the development of phenomenological and numerical models. To address this issue we performed systematic measurements using high-speed long-distance microscopy, for three single-component fuels (n-heptane, n-dodecane, n-hexadecane), into gas at elevated temperatures (700–1200 K) and pressures (2–11 MPa). We describe these high-speed visualizations and the time evolution of the transition from liquid droplet to fuel vapour at the microscopic level. The measurements show that the classical atomization and vaporisation processes do shift to one where surface tension forces diminish with increasing pressure and temperature, but the transition to diffusive mixing does not occur instantaneously when the fuel enters the chamber. Rather, subcritical liquid structures exhibit surface tension in the near-nozzle region and then, after time surrounded by the hot ambient gas and fuel vapour, undergo a transition to a dense miscible fluid. Although there was clear evidence of surface tension and primary atomization for n-dodecane and n-hexadecane for a period of time at all the above conditions, n-heptane appeared to produce a supercritical fluid from the nozzle outlet when injected at the most elevated conditions (1200 K, 10 MPa). This demonstrates that the time taken by a droplet to transition to diffusive mixing depends on the pressure and temperature of the gas surrounding the droplet as well as the fuel properties. We summarise our observations into a phenomenological model which describes the morphological evolution and transition of microscopic droplets from classical evaporation through a transitional mixing regime and towards diffusive mixing, as a function of operating conditions. We provide criteria for these regime transitions as reduced pressure–temperature correlations, revealing the conditions where transcritical mixing is important to diesel fuel spray mixing.

02 PETROLEUM↗
DOE OSTI2025

ChargeX OCPI Recommendations

The Open Charge Point Interface (OCPI) is an open protocol that enables electric vehicle (EV) charging systems to work together across networks. It supports communication and data sharing between Charge Point Operators (CPOs), who manage charging stations, and e-Mobility Service Providers (eMSPs), who provide charging services to EV drivers. OCPI facilitates functions like user authorization, remote charge point control, charging session data exchange, and billing through Charge Detail Records (CDRs). This allows EV roaming, so drivers can charge at different networks without multiple accounts. As the EV market grows due to increased adoption and technological advancements, OCPI faces higher demands. This has revealed issues with CDR format consistency, timestamp standardization across regions, transmission of EV-side error codes for troubleshooting, and support for new use cases. These challenges can affect operations and user experience, particularly as the industry starts considering Vehicle-to-Grid (V2G) systems, where EVs supply energy to the grid, and Vehicle-to-Everything (V2X) technologies for broader energy interactions. Using feedback from the ChargeX Diagnostics taskforce discussions, industry 1-on-1 meetings, technical standards, and OCPI’s evolution through versions (e.g., OCPI 2.1.1, 2.2, and 2.2.1), this report identifies these issues and suggests practical recommendations. These aim to improve interoperability, streamline operations, and prepare OCPI for future trends in the EV charging ecosystem.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
DOE OSTI2018

Dynamic imaging of metastable reaction pathways in lithiated cobalt oxide electrodes

Understanding how lithium-ion batteries function down to the atomic level during charge and discharge cycling can provide valuable guidance to optimize structure-property relationships and to design and understand new electrode materials. Lithium insertion and reactions with the electrodes during charge and discharge cycling can occur via metastable structures with complex ordering and related non-equilibrium phenomena. Remarkably, these processes remain still poorly understood despite their significance in the operation of lithium battery systems in critical technologies. In this communication, we present the dynamics of lithium insertion into Co3O4 and the evolution of metastable phases as probed by in-situ transmission electron microscopy, in concert with first principles density functional theory calculations. We show that the initial lithium intercalation reaction occurs with the formation of several metastable and intermediate phases, followed by a sequence of conversion reactions that perturb and expand the cubic-close-packed oxygen array, ultimately generating an end-product of finely dispersed cobalt metal clusters within a Li2O matrix. The calculated non-equilibrium lithiation pathways corroborate with the experimental lithiation voltages, and explain the significant hysteresis that occurs during electrochemical cycling. The data provide new insights into the complexity of solid state lithium electrochemistry in metal oxides that are relevant to advancing lithium battery technology.

conversion reaction electrode↗
DOE OSTI2022

Evaluation of High-Temperature Martensitic Steels for Heavy-Duty Diesel Piston Applications

Five different commercially available high-temperature martensitic steels were evaluated for use in a heavy-duty diesel engine piston application and compared to existing piston alloys 4140 and microalloyed steel 38MnSiVS5 (MAS). Finite element analyses (FEA) were performed to predict the temperature and stress distributions for severe engine operating conditions of interest, and thus aid in the selection of the candidate steels. Complementary material testing was conducted to evaluate the properties relevant to the material performance in a piston. The elevated temperature strength, strength evolution during thermal aging, and thermal property data were used as inputs into the FEA piston models. Additionally, the long-term oxidation performance was assessed relative to the predicted maximum operating temperature for each material using coupon samples in a controlled-atmosphere cyclic-oxidation test rig. A current commercial steel piston alloy, quenched and tempered martensitic steel 4140, was tested in a single-cylinder research engine for a baseline oxidation and mechanical performance assessment using an abbreviated (50h) durability test plan. The predicted suitability of a candidate piston material in an engine is primarily based on its elevated temperature strength, oxidation resistance, and the complex influence of thermal conductivity, the latter of which is substantially lower for the candidate materials considered in this research relative to the traditional alloys. Although the lower thermal conductivity causes the candidate alloys to operate in higher temperature ranges under identical engine operating conditions and piston geometries, increasing the likelihood of partially or completely negating their strength and oxidation resistance advantages relative to 4140 and MAS steels, this evaluation indicates that several of the candidate piston alloys are predicted to enable improved oxidation resistance under more severe engine operating conditions relative to the current piston materials. However, further evaluation is required to determine if the elevated temperature fatigue strength and durability of these alloys are suitable for more severe engine conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reactor physics benchmark of Westinghouse PWR core design suite for high burnup/high enrichment fuel - Part 2: 2D and 3D core simulations

Westinghouse has performed a comprehensive set of code-to-code benchmark comparisons to corroborate application of its state-of-the-art NEXUS-based code suite to high burnup and high enrichment (HB/HE) fueled PWR core design and reload analysis. The benchmark consisted of a progression in complexity from modeling single 2D pin cells, through 2D lattices and finally to whole core 2D and then 3D scenarios. The accompanying paper (Part 1) presented the results for a variety of pin cell and lattices representative of high energy cores and established the ability of the MPACT code to accurately match the predictions of the Monte-Carlo code SERPENT2 such that the former may be used as a surrogate reference code in spatially complex whole core modeling applications where using Monte-Carlo methods is somewhat impractical. This paper focuses on comparisons at the whole core level using a representative high power density 3-loop Westinghouse NSSS core operating for 24 month cycles employing high enriched fuel with use of combined burnable absorbers to hold down excess reactivity. The evolution of the core reactivity and power distribution characteristics throughout the cycle are calculated using the Westinghouse NEXUS-based code suite and compared to the results using MPACT. The results of this whole core benchmark confirm the conclusions that the Westinghouse code suite accurately models HB/HE fuel designs, with very good prediction of core reactivity and power distribution throughout the cycle. The industry can be confident that the NEXUS code system can be deployed to support PWR reload safety and operational analyses for cores featuring HB/HE fuel and 24-month cycle operation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Impact of forging direction on the recrystallization behaviour of nickel base superalloy AD730 billet material at subsolvus temperatures

Highlights: • Large unrecrystallized grains present a fine distribution of intragranular γ′ precipitates; • Intragranular precipitates play a key role on strain distribution and subsequent recrystallization behaviour for AD730; • Continuous dynamic recrystallization (CDRX) promotes the gradual consumption of large unrecrystallized grains. • Undissolved secondary precipitates play a key role on the microstructural evolution of AD730 • No significant effect associated to the forging direction on the recrystallization behaviour of AD730 was found. AD730™ is a newly developed Ni-based superalloy for turbine disk applications produced by cast and wrought processes. Conventional ingot-to-billet conversion is an expensive and very complex operation. Because of the difficulties to achieve a uniform strain for recrystallization, large unrecrystallized grains are retained along this process. Heterogeneities of grain size have a negative impact on subsequent forging processes as well as ultrasonic inspectability of the destination part. The main aim of this work is to analyse the impact of both forging direction (billet, cogging) and strain (ε = 0.3–2) on the microstructural evolution of AD730 at subsolvus temperatures from a semi-finished product (billet) under conditions representative of both cogging and hot forging operations. Special attention to the presence of large unrecrystallized grains was paid. Double truncated cones (DTCs) were hot forged at subsolvus temperatures followed by air cooling. SEM and EBSD analysis were conducted in the as-received (billet) and the as-forged conditions. AD730 alloy presents a complex microstructure characterized by the presence of large unrecrystallized grains, aligned in the billet direction, with remarkable differences in γ′ precipitates distribution as compared to recrystallized structures. The fine distribution of primary γ′ precipitates (pinning effect) plays a key role on grain size control but also on the recrystallization behaviour. Continuous dynamic recrystallization (CDRX) mechanism was found to be operating in the large unrecrystallized grains, promoting the formation intragranular DRX grains and the gradual recrystallization of these grains. Strain presents a strong effect on the microstructural evolution of AD730, increasing the recrystallization fraction and refining the structure. By contrast, no significant effect associated to the forging direction was found. Conditions representative of cogging operations (ε ≤ 0.6) at subsolvus temperatures were translated into large fractions of unrecrystallized structures (strain accumulation).

36 MATERIALS SCIENCE↗
DOE OSTI2020

FOFB-compatible AC Local Bump as a Potential New Operations Mode for NSLS-II

AC local bumps of the beam orbit developed at NSLS-II are successfully used for accelerator physics studies. Recently, AC bumps localized at light-generating insertion devices (ID) are considered by NSLS-II beamline scientists as a possible user operation mode. The AC perturbation of the X-ray beam in a controllable way will provide a possibility to investigate the effects of the source size and temporal evolution on the coherence of the photon beam. It also can be used to average out the spatial non-uniformity of the beam intensity caused by the beamline optics. Before the implementation of the AC orbit bumps into user operations, we must investigate if the electron beam perturbation affects the other beamlines. A proof-of-principle experiment was carried out: an AC bump was created and well localized in the CSX and/or FXI beamline. Transparency of this AC bump to other beamlines has been studied, the results are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Cross-scale modeling and experimental integration for advancing cathode electrolyte interphase studies in high energy density lithium-ion batteries

Electrochemical interfaces are critical to the performance and durability of lithium-ion batteries (LIBs). The solid electrode-electrolyte interphase (SEI and CEI) structures that form during cycling can passivate reactive surfaces, ensuring safe operation, but also may contribute to performance degradation. Understanding the microscopic factors influencing interphase formation, growth, and evolution is essential for balanced battery design. While significant research has focused on the anode-electrolyte interphase (SEI), the cathode-electrolyte interphase (CEI) remains less explored, despite its importance in high-voltage and advanced battery technologies. Challenges in conducting in-situ or operando experiments arise from the occluded nature of these interfaces and the long timescales involved, often leading to biased interpretations. A validated multi-scale, multi-physics modeling approach, integrated with advanced characterization techniques, can effectively elucidate the intrinsic stability of electrolyte and cathode surfaces, the impact of chemical heterogeneity, and the role of microstructural features on CEI performance. In conclusion, this article reviews current modeling and simulation strategies for studying CEI in advanced LIBs and highlights opportunities for future methodological advancements and experimental integration.

Cathode-electrolyte interphase↗
DOE OSTI2025

Regulatory helix plays a key role in genetic ON-OFF switching for the 2’-deoxyguanosine sensing mRNA element

Transcriptional riboswitches, noncoding mRNA elements that operate in cis to regulate gene expression, have a promising potential in medicine, synthetic biology and directed evolution. They bind to cellular metabolites or metal ions with high specificity, leading to conformational rearrangements that facilitate the activation or premature termination of transcription for downstream genes. This elegant mechanism for feedback regulation of metabolic pathways has been identified in prokaryotes and a few in eukaryotes. Our chemical probing of the 2’-deoxyguanosine (2’-dG)-sensing riboswitch demonstrates that the overall conformational state of the full-length riboswitch (dGsw-fl) is unresponsive to the 2’-dG. Although binding proceeds as expected, dGsw-fl exclusively populates an OFF state of transcriptional inhibition. We chemically probed the structure of a known dGsw transcriptional intermediate (dGsw-int) to evaluate the possibility of a cotranscriptional regulatory role. Interestingly, apo dGsw-int adopts an alternative conformation in which a stable anti-terminator helix is formed, leading to an ON state where transcription can proceed. In the presence of 2’-dG, this anti-terminator helix is destabilized to produce a conformation reminiscent of the full-length, OFF-state dGsw. Using a fluorescence quenching assay, we demonstrate that binding 2’-dG to early transcriptional intermediates can inhibit the formation of the anti-terminator helix, locking dGsw in an OFF state. These data suggest that metabolite sensing occurs during a brief window of time between the synthesis of two transcriptional intermediates. Our studies indicate that dGsw does not function as a binary ON−OFF switch, but instead fine-tunes the transcription of downstream genes during RNA synthesis using key intermediates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

First and second order operator splitting methods for the phase field crystal equation

In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗