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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Probing quantum phenomena through photoproduction in relativistic heavy-ion collisions

Photoproduction in ultra-peripheral relativistic heavy-ion collisions displays many unique features, often involving quantum mechanical coherence and two-source interference between photon emission from the two ions. We review the recent experimental results from RHIC and the LHC and theoretical studies of coherent vector meson photoproduction, emphasizing the quantum mechanical aspects of the interactions and the entanglement between the final state particles. These studies enrich our understanding of non-local realism, underscore the critical role of the polarization of the photon source, quantum interference and nuclear effect on the gluon distribution. It paves a way for quantitatively probing the quantum nature of these high-energy nuclear collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Field retrieved photovoltaic backsheet survey from diverse climate zones: Analysis of degradation patterns and phenomena

Understanding the impact of climate stressors on photovoltaic (PV) backsheet degradation in real-use conditions is critical to improve the accelerated testing exposures, extend the backsheet lifetime, and increase the confidence in PV reliability. Here, in this work, a total of 33 PV module backsheets were retrieved from six climatic zones worldwide with 2 - 28 years of exposure. These modules included five types of backsheet air-side materials (or outer layer): poly(vinylidene fluoride) (PVDF), poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), and polyamide (PA). Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was used to identify air-side materials. The degradation induced color change, gloss loss, and chemical material changes analyzed using optical microscopy, differential scanning calorimetry (DSC), scanning electron microscopy (SEM), colorimetry (yellowness index (YI)), and gloss measurements. PVDF, THV, and PVF air-side layer backsheets, in particular PVF, had minimal degradation in the air-side layer appearance and chemical structures after exposure in different climatic zones. The PET air-side backsheets exhibited obvious color increase (22.55 YI units after about 9 years exposure) and the PA/PA/PA backsheets showed large gloss loss (up to 76.4 %) relative to the unexposed backsheets. Severe cracks between cells that penetrated through the entire thickness of backsheets are observed on PA/PA/PA backsheets after 4-6 years of exposure in 6 climatic zones. The current indoor exposure standards were not sufficient to identify this degradation type. However, fluoropolymer based PV backsheets showed lower levels of degradation predictors and increased climatic resistance. Specific samples (PVF) showed little change from baseline after 28 years of outdoor exposure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Solvent Effects on Catalytic Reactions and Related Phenomena at Liquid-Solid Interfaces

Catalytic reactions involve the direct interaction of reactants, intermediates and products with the catalyst surface. We not only need to control the atomic structure and electronic properties of the active site, but also explore the multiple molecular interactions that occur beyond the active site; they play an essential role in altering the binding and reactivity of surface species. In liquid-phase catalysis, solvents provide additional degrees of freedom in the design of the catalytic process for desirable activity and selectivity. Here, the multi-faceted effects of solvents have a profound impact on the catalyst performance by restricting the mass transfer to the site, tuning the chemical potential of the surface species, competing for active sites, stabilizing the initial and transition states, and causing mechanistic changes by participating in the kinetically relevant elementary steps. This review addresses the different aspects of solvent effects, using a few prototype solid-liquid interfaces to illustrate these fundamental features. Recent experimental and computational studies that provide new insight at the molecular level are examined. Solvent structures in the proximity of the catalyst surface are discussed along with their influence in molecular binding and reaction at the solid-liquid interfaces. Furthermore, opportunities to alter such a solid-liquid interaction by tuning the wettability of the catalyst surfaces are explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Technetium Complexation with Multidentate Carboxylate-Containing Ligands: Trends in Redox and Solubility Phenomena

The chemistry of technetium (t 1/2 ( 99 Tc) = 2.11 × 10 5 years) is of particular importance in the context of nuclear waste disposal and historic contaminated sites. Polycarboxylate ligands may be present in some sites and are potentially capable of strong complexing interactions, thus increasing the solubility and mobility of 99 Tc under environmentally relevant conditions. This work aimed to determine the impact of five organic complexing ligands [L = oxalate, phthalate, citrate, nitrilotriacetate (NTA), and ethylenediaminetetraacetate (EDTA)] under anoxic, alkaline conditions (pH ≈ 9–13) on the solubility of technetium. X-ray absorption spectroscopy confirmed that TcO 2 (am,hyd) remained the solubility-controlling solid phase in undersaturation solubility experiments. Ligands with maximum coordination numbers (CN) ≥ 3 (EDTA, NTA, and citrate) exhibited an increase in solubility from pH 9 to 11, while ligands with CN ≤ 2 (oxalate and phthalate) at all investigated pH and CN ≥ 3 at pH ≈ 13 were outcompeted by hydrolysis reactions. Though most available thermodynamic values were determined under acidic conditions, these models satisfactorily explained high-pH undersaturation solubility of technetium for citrate and NTA, whereas experimental data for Tc(IV)–EDTA were highly overestimated. Finally, this work illustrates the predominance of hydrolysis under hyperalkaline conditions and provides experimental support for existing thermodynamic models of Tc–L except Tc–EDTA, which requires further research regarding aqueous speciation and solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

How Collective Phenomena Impact CO 2 Reactivity and Speciation in Different Media

CO 2 has attracted considerable attention in the recent years due to its role in the greenhouse effect and environmental management. While its reaction with water has been studied extensively, the same cannot be said for reactivity in supercritical CO 2 phase, where the conjugate acid/base equilibria proceed through different mechanisms and activation barriers. Furthermore, in spite of the apparent simplicity of the CO 2 + H 2 O reaction, the collective effect of different environments has drastic influence on the free energy profile. Enhanced sampling techniques and well-tailored collective variables provide a detailed picture of the enthalpic and entropic drivers underscoring the differences in the formation mechanism of carbonic acid in the gas, aqueous and supercritical CO 2 phases.

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

Evolution and Degradation Patterns of Electrochemical Cells Based on the Analysis of Interfacial Phenomena at Li Metal Anode/Electrolyte Interfaces

In this work, we report the results of a theoretical–computational analysis of the solid electrolyte interphase (SEI) growth and degradation dynamics occurring in lithium metal batteries during cycling. We use ab initio-kinetic Monte Carlo simulations to generate a synthetic data set, which is analyzed by machine learning methods. We aim to determine: (i) how modifications in interfacial interaction energies between solid electrolyte interphase (SEI) blocks and between Li ions and SEI facets impact the Coulombic efficiency (CE) of the battery and (ii) what factors, including reactions, microscopic transport, and other interfacial events, may lead to cell performance “failure” during prolonged charge and discharge cycles, signaled as a sharp decay in the CE over cycling. The demonstration of our approach is done on a cell including a Li metal surface interfacing with a previously introduced state-of-the-art electrolyte, and the idea can be applied to any electrochemical system. Outcomes include the identification of the leading chemical, physical, and structural variables causing cell failure and relating them to the electrolyte formulation, thus paving the way to future more refined analysis and electrolyte design.

batteries↗
DOE OSTI2024

Self-Inhibition Phenomena in Cu 3 Pt Oxidation by CO 2

Here, this study investigates the oxidation behavior of Cu 3 Pt(100) in CO 2 using a combination of ambient-pressure X-ray photoelectron spectroscopy, mass spectroscopy, and density functional theory modeling. Our in situ measurements reveal the simultaneous oxidation and reduction of Cu 2 O due to the opposing effects of atomic oxygen and CO generated from dissociative CO 2 adsorption, leading to a dynamic equilibrium state of simultaneously occurring redox reactions. Complementary atomistic calculations elucidate the inhibitory effects of subsurface Pt enrichment and the counteracting roles of CO 2 and CO in surface oxidation and reduction. These results provide mechanistic insights into the dissociative pathway of CO 2 molecules and dynamic evolution of surface composition and reactivity of Cu-based alloy catalysts in CO 2 -rich environments, with broader implications for tuning gas–surface reactions by manipulating gas reactants or solid surface composition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling Interdiffusion Phenomena and the Role of Nanoscale Diffusion Barriers in the Copper–Gold System

Diffusion is one of the most fundamental concepts in materials science, playing a pivotal role in materials synthesis, forming, and degradation. Of particular importance is solid state interdiffusion of metals which defines the usable parameter space for material combinations in the form of alloys. This parameter space can be explored on the macroscopic scale by using diffusion couples. However, this method reaches its limit when going to low temperatures, small scales, and when testing ultrathin diffusion barriers. Therefore, this work transfers the principle of the diffusion couples to small scales by using core–shell nanowires and in situ heating. This allows us to delve into the interdiffusion dynamics of copper and gold, revealing the interplay between diffusion and the disorder–order phase transition. Our in situ TEM experiments in combination with chemical mapping reveal the interdiffusion coefficients of Cu and Au at low temperatures and highlight the impact of ordering processes on the diffusion behavior. The formation of ordered domains within the solid-solution is examined using high-resolution imaging and nanodiffraction including strain mapping. In addition, we examine the effectiveness of ultrathin Al 2 O 3 barrier layers to control interdiffusion of the diffusion couple. Our findings indicate that a 5 nm thick layer serves as an efficient diffusion barrier. Furthermore, this research provides valuable insights into the interdiffusion behavior of Cu and Au on the nanoscale, offering potential applications in the development of miniaturized integrated circuits and nanodevices.

alloys↗
DOE OSTI2020

Caltech Lab Experiments and the Insights They Provide Into Solar Corona Phenomena

A comprehensive overview of two decades of Caltech experiments relevant to solar corona physics is presented. The extent to which the experiments scale to the solar corona, the basic configurations and operation, and the importance of the magnetic force J × B common to all the experiments is discussed. Summaries are given of the various configurations used, the main observations, and interpretations of these observations, including new models developed to provide these interpretations. Topics include observations and explanations for flux rope self-collimation, axial flows along flux ropes, eruption of arched flux ropes, strapping magnetic fields that inhibit eruption, the torus instability, and effects such as X-ray emission of a kink-driven secondary Rayleigh-Taylor instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗