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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High–Capacity Splitting of Mono– and Dibranched Hexane Isomers by a Robust Zinc–Based Metal–Organic Framework

High-efficiency separation of C 6 alkanes, particularly the mono- and dibranched isomers by using porous solids, is of paramount significance in the petrochemical industry and, remains a daunting challenge. In this work, we report the complete separation of linear/monobranched hexanes from their dibranched isomers through selective size-exclusion by a microporous MOF, Zn-tcpt (H3tcpt=2,4,6-tris(4-carboxyphenoxy)-1,3,5-triazine), with a two-fold interpenetrated structure of hms nets. Importantly, its adsorption capacity and selectivity are notably higher than those of the previously reported adsorbents that can split mono- and dibranched alkane isomers. Dynamic breakthrough measurements verify the excellent separation of C 6 alkane isomers by Zn-tcpt, and the size-exclusion based separation mechanism has been confirmed by ab initio materials modeling. Furthermore, the high-efficiency separation of alkane isomers by Zn-tcpt can be attributed to its optimal pore dimensions as well as high porosity.

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

Molten Salts-Driven Discovery of a Polar Mixed-Anion 3D Framework at the Nanoscale: Zn 4 Si 2 O 7 Cl 2 , Charge Transport and Photoelectrocatalytic Water Splitting

Mixed-anion compounds widen the chemical space of attainable materials compared to single anionic compounds, but the exploration of their structural diversity is limited by common synthetic paths. Especially, oxychlorides rely mainly on layered structures, which suffer from low stability during photo(electro)catalytic processes. Herein we report a strategy to design a new polar 3D tetrahedral framework with composition Zn 4 Si 2 O 7 Cl 2 . We use a molten salt medium to enable low temperature crystallization of nanowires of this new compound, by relying on tetrahedral building units present in the melt to build the connectivity of the oxychloride. These units are combined with silicon-based connectors from a non-oxidic Zintl phase to enable precise tuning of the oxygen content. This structure brings high chemical and thermal stability, as well as strongly anisotropic hole mobility along the polar axis. These features, associated with the ability to adjust the transport properties by doping, enable to tune water splitting properties for photoelectrocatalytic H 2 evolution and water oxidation. This work then paves the way to a new family of mixed-anion solids

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

Low Catalyst Loading Enhances Charge Accumulation for Photoelectrochemical Water Splitting

Abstract Solar water oxidation is a critical step in artificial photosynthesis. Successful completion of the process requires four holes and releases four protons. It depends on the consecutive accumulation of charges at the active site. While recent research has shown an obvious dependence of the reaction kinetics on the hole concentrations on the surface of heterogeneous (photo)electrodes, little is known about how the catalyst density impacts the reaction rate. Using atomically dispersed Ir catalysts on hematite, we report a study on how the interplay between the catalyst density and the surface hole concentration influences the reaction kinetics. At low photon flux, where surface hole concentrations are low, faster charge transfer was observed on photoelectrodes with low catalyst density compared to high catalyst density; at high photon flux and high applied potentials, where surface hole concentrations are moderate or high, slower surface charge recombination was afforded by low‐density catalysts. The results support that charge transfer between the light absorber and the catalyst is reversible; they reveal the unexpected benefits of low‐density catalyst loading in facilitating forward charge transfer for desired chemical reactions. It is implied that for practical solar water splitting devices, a suitable catalyst loading is important for maximized performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Synthesis of Host‐Guest Hematite Photoelectrodes for Solar Water Splitting

Abstract Hematite (α‐Fe 2 O 3 ) is a promising semiconductor for photoelectrochemical (PEC) water splitting, due to its abundance, low‐cost and excellent stability. However, the efficiency of α‐Fe 2 O 3 photoelectrodes has been limited by its low hole mobility and fast electron‐hole recombination. Host‐guest architectures have emerged as a suitable design, which involves the use of a nanostructured collector for high solar absorption while maintaining an ultrathin absorber layer for better charge transport. In this study, a thin mesoporous SiO 2 host template coated with a conductive thin layer of TiO 2 was optimized to support the α‐Fe 2 O 3 film. The α‐Fe 2 O 3 thin layer was deposited by spray pyrolysis and then coated with a FeNiOOH co‐catalyst. A photocurrent improvement of ca . 85% over planar α‐Fe 2 O 3 thin film reference was registered demonstrating the potential of this host‐guest approach.

Francisco, Filipe↗
DOE OSTI2019

Iridium-based Catalysts for Electrocatalytic Water Splitting

We report that chemical energy conversion/storage through water splitting for hydrogen production has been recognized as the ideal solution to the transient nature of renewable energy sources. Solid polymer electrolyte (SPE) water electrolysis is one of the most practical ways to produce pure H2. Electrocatalysts are key materials in the SPE water electrolysis. At anode side, electrode materials catalyzing the oxygen evolution reaction (OER) require properties. Among the reported materials, only iridium presents high activity and is more stable. In this article, an application overview of single iridium metal and its oxide catalysts; binary, ternary and multi-component catalysts of iridium oxides; and supported composite catalysts for the OER in SPE water electrolysis is presented. Two main strategies to improve the activity of an electrocatalyst system, i.e., increasing the number of active sites and the intrinsic activity of each active site were reviewed with detailed examples. Finally, the challenges and perspectives in this field are also discussed.

25 ENERGY STORAGE↗
DOE OSTI2018

Ag−Au‐Bimetal Incorporated ZnO‐Nanorods Photo‐Anodes for Efficient Photoelectrochemical Splitting of Water

Abstract Plasmonic Ag−Au/ZnO nanorods (ZNRs) based photo‐anodes were synthesized using a simple electrochemical route and were then evaluated for photoelectrochemical (PEC) activity. The amalgamation of Ag and Au nanoclusters broadens the UV‐Vis light absorption in the range of 400 nm to 650 nm. Ag−Au/ZNRs photo‐anodes had shown photocurrent density of ∼1.4 mA cm −2 , at a bias of 0.75 V/SCE, which is ∼3.1 times of bare ZNRs photo‐anode. Bi‐metallic Ag−Au/ZNRs based photo‐anode shows the maximum photo‐conversion efficiency of 0.77 % at 0.5 V/SCE, under one sun illumination. Formation of hot electrons in Ag−Au/ZNRs photo‐anodes can be partly held responsible for the enhanced PEC activity. Au/Ag core/shell morphology evolves when a thin layer of Ag is loaded on Au nanoparticles. For an in‐depth analysis on Ag−Au incorporated ZNRs based photo‐anodes and its PEC activity, a detailed characterization was carried out using physico‐chemical, spectral and microscopy techniques. The analysis shows that Au in direct contact with ZnO interacts mainly with oxygen vacancies present on surface of ZnO and Ag interacts with Au for an effective electron‐hole segregation process at their interface and electron storage occurs in metal nanoparticles. The results suggest bi‐metal incorporated ZNRs based photo‐anodes can be a prospective candidate for PEC water splitting application.

Sharma, Vidhika↗
DOE OSTI2023

N‐Doping Effects On Electrocatalytic Water Splitting of Non‐Noble High‐Entropy Alloy Nanoparticles Prepared by Inert Gas Condensation

Abstract The unique catalytic activities of high‐entropy alloys (HEAs) emerge from the complex interaction among different elements in a single‐phase solid solution. As a “green” nanofabrication technique, inert gas condensation (IGC) combined with laser source opens up a highly efficient avenue to develop HEA nanoparticles (NPs) for catalysis and energy storage. In this work, the novel N‐doped non‐noble HEA NPs are designed and successfully prepared by IGC. The N‐doping effects of HEA NPs on oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) are systematically investigated. The results show that N‐doping is conducive to improving the OER, but unfavorable for HER activity. The FeCoNiCrN NPs achieve an overpotential of 269.7 mV for OER at a current density of 10 mA cm −2 in 1.0 M KOH solution, which is among the best reported values for non‐noble HEA catalysts. The effects of the differences in electronegativity, ionization energy and electron affinity energy among mixed elements in N‐doped HEAs are discussed as inducing electron transfer efficiency. Combined with X‐ray photoelectron spectroscopy and the extended X‐ray absorption fine structure analysis, an element‐design strategy in N‐doped HEAs electrocatalysts is proposed to improve the intrinsic activity and ameliorate water splitting performance.

Chemistry↗
DOE OSTI2023

Effects of Anionic Polymer Modification of Dye‐Sensitized Niobate Photocatalysts on Solar‐Driven Z‐Scheme Overall Water Splitting

In article number 2300629, Mallouk, Maeda and co-workers report that a surface modification of a dye-sensitized calcium niobate nanosheet photocatalyst with anionic polymers such as sodium polymethacrylate improves the activity for solar water splitting, giving a maximum solar-to-hydrogen energy conversion efficiency of 0.12±0.01% and an apparent quantum yield of 5.1% at 420 nm.

Yamamoto, Haruka↗
DOE OSTI2026

Gluon splitting at small x: a unified derivation for the JIMWLK, DGLAP and CSS equations

We revisit the calculation of the next-to-leading order (NLO) corrections to dijet production in electron-ion collisions at small x. We focus on the back-to-back configuration where the relative transverse momentum P ⊥ of the measured jets is much larger than both their momentum imbalance K ⊥ and the target saturation momentum Q s (x, A). In this regime, we present for the first time a complete calculation of the real NLO corrections, associated with gluon emissions outside the jet cones, at leading power in 1/P ⊥ . Our result exhibits TMD factorisation, with the same hard factor as at tree-level and a NLO correction to the Weiszäcker-Williams (WW) gluon transverse momentum dependent (TMD) distribution which involves four Wilson-line operators. By studying different kinematical regimes for K ⊥ and for the radiated gluon, we recover all the quantum evolutions that were previously identified for this process at NLO: the B-JIMWLK high-energy evolution and the CSS evolution of the gluon WW TMD, and the DGLAP evolution of the gluon PDF. When both K ⊥ and the transverse momentum transferred by the target are large compared to Q s , all the Wilson-line operators boil down to the unintegrated gluon distribution and our NLO result for the gluon TMD can be used to isolate the transverse-momentum dependent gluon splitting function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurements of the groomed jet radius and momentum splitting fraction with the soft drop and dynamical grooming algorithms in pp collisions at $ \sqrt{s}$ = 5.02 TeV

This article presents measurements of the groomed jet radius and momentum splitting fraction in pp collisions at $\sqrt{s}$ = 5.02 TeV with the ALICE detector at the Large Hadron Collider. Inclusive charged-particle jets are reconstructed at midrapidity using the anti-k T algorithm for transverse momentum 60 < p$_{T}^{ch jet}$ < 80 GeV/c. We report results using two different grooming algorithms: soft drop and, for the first time, dynamical grooming. For each grooming algorithm, a variety of grooming settings are used in order to explore the impact of collinear radiation on these jet substructure observables. These results are compared to perturbative calculations that include resummation of large logarithms at all orders in the strong coupling constant. We find good agreement of the theoretical predictions with the data for all grooming settings considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Split-helicity tree amplitudes and flag cluster algebras

Recent work has uncovered a connection between the symbol letters of general massless scattering and (permutations of) cluster variables of partial flag varieties. In this paper we explore the cluster adjacency of tree-level gluon amplitudes, specifically focusing on split-helicity amplitudes which can be written in closed form in terms of zigzag diagrams. We check in several cases, and conjecture in general, that the poles in each term satisfy cluster adjacency under a set of permutations that is built from arc permutations of the corresponding zigzag.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Holography for BCFTs with multiple boundaries: multi-splitting quenches

We elaborate on the method introduced in arXiv:2403.02165 for holographic duals of Boundary Conformal Field Theories (BCFTs) with multiple boundaries. Naïvely, as the number of boundaries grow large such a calculation becomes unmanageable. We show that is not always the case. Using these advances we calculate the entanglement entropy as a function of time for 1+1-dimensional CFTs that are split into N subsystems. We give explicit results for N = 4 and N = 17. We find that all qualitative differences that arise for larger N are present N = 4.

AdS-CFT correspondence↗
DOE OSTI2019

Estimation of split renal function using different volumetric methods: inter- and intraindividual comparison between MRI and CT

Purpose: This study aims to determine whether contrast-enhanced (CE)-magnetic resonance imaging (MRI) is comparable to CE-computed tomography (CT) for estimation of split renal function (SRF). For this purpose, two different kidney volumetry methods, the renal cortex volumetry (RCV) and modified ellipsoid volume (MELV), are compared for both acquisition types (CT vs. MRI) with regard to accuracy and reliability, subsequently referred to as RCV{sub CT}/RCV{sub MRI} and MELV{sub CT}/MELV{sub MRI}. Methods: This retrospective study included 29 patients (18 men and 11 women; mean age 62.8 ± 12.4 years) who underwent CE-MRI and CE-CT of the abdomen within a period of 3 months. Two independent readers (R1/R2) performed RCV and MELV in all datasets with corresponding semiautomated software tools. RCV was performed with datasets in the arterial phase and MELV in the venous phase. Statistics were calculated using one-way ANOVA, two-tailed Student’s t test, Pearson´s correlation, and Bland–Altman plots with p ≤ 0.05 being considered statistically significant. Results: In all datasets, SRF was almost identical for both volumetry methods with a mean difference of < 1%. Bland–Altman analysis comparing RCV in CT and MRI showed very good agreement for R1/R2. Interreader agreement was strong for RCV{sub CT} and good for RCV{sub MRI} (r = 0.89; r = 0.69). MELV{sub CT/MRI} interreader agreement was only moderate (r = 0.54; r = 0.50) with a high range of values. Intrareader agreement was excellent for all measurements, except MELV{sub MRI} which showed a high mean bias and range of values (RCV{sub CT}: r = 0.93, RCV{sub MRI}: r = 0.98, MELV{sub CT}: r = 0.89, MELV{sub MRI}: r = 0.54). Conclusion: Renal volumetric estimates of SRF are almost as accurate and reliable with CE-MRI as with CE-CT using RCV method. In distinction, the calculation of SRF using MELV was inferior to RCV with respect to accuracy and reliability. Thus, RCV method is recommended to estimate SRF, primarily using CT datasets. However, RCV with MRI datasets for kidney volumetry allows for comparable accuracy and reliability while sparing patients and healthy donors of unnecessary radiation exposure.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Experimental study of R452B and R454B as drop-in replacement for R410A in split heat pumps having tube-fin and microchannel heat exchangers

The objective of this study is to experimentally evaluate two residential split heat pumps using low-GWP refrigerants, i.e., R452B and R454B, and compare the results against R410A. In this work, each heat pump used the same model of two-speed scroll compressor, the same indoor blower and outdoor fan. However, they were distinguished by the indoor and outdoor heat exchanger types: tube-fin heat exchangers (TFHXs) in one case, and microchannel heat exchangers (MCHXs) in the other. The two heat pumps were extensively evaluated following the test conditions for two-speed SEER (cooling seasonal energy efficiency rating)/HSPF (heating seasonal performance factor) ratings.In general, these results show that R452B and R454B are good replacement candidates for R410A for heat pump using tube-fin heat exchangers and microchannel heat exchangers. R452B and R454B led to lower capacities. In the TFHX heat pump, on average, compared to the performance of R410A, the cooling capacity of R452B is 96%; the heating capacity of R452B is 91%; the cooling capacity of R454B is 95%, the heat capacity of R454B is 89%. In the MCHX heat pump, the cooling capacity of R452B is 97%; the heating capacity of R452B is 97%; the cooling capacity of R454B is 98%, the heat capacity of R454B is 97%. With respect to cooling and heating seasonal performances, in the TFHX heat pump, the SEERs of R452B and R454B are 1.5% lower than R410A. HSPFs of the three refrigerants are identical. In the MCHX heat pump, R454B has 7% higher SEER, and R452B has 2% higher SEER than R410A; in heating mode, R454B has the same HSPF as R410A, while R452B is 4% more efficient. The compressor lubricant overheating issue of R452B and R454B, at low ambient heating condition, high stage, should be noticed.

42 ENGINEERING↗
DOE OSTI2019

Split-pane electrochromic window control based on an embedded photometric device with real-time daylighting computing

Well-designed electrochromic (EC) glazing control can improve the energy performance of buildings and visual comfort of occupants in highly glazed buildings. Here in this paper, we designed and demonstrated a compact integrated EC glazing automation system to control tint states of a split-pane EC window according to variations of sky conditions. The control is based on monitoring the luminance distribution of the sky and real-time lighting computation for a building interior, using an embedded photometric device (EPD). It optimizes tint states of EC glazing to offer sufficient daylight provision and temper discomfort glare for occupants, which potentially mitigates excessive solar heat gain. ’In-situ’ experiments were conducted in a full-scale testbed to demonstrate the daylighting performance under various sky conditions. Finally, experimental results showed 83% of the working time for work-plane illuminance (WPI) and 95% of the time for daylight glare probability (DGP) were constrained in comfort range (WPIϵ[500, 2000] lux, DGP ≤ 0.35) by the automated EC glazing (controlled by EPD) under clear skies; 68% of the time for WPI and 94% of the time for DGP in confined range under clear skies with thin clouds; 62% of the time for WPI and 85% of the time for DGP in confined range under partly cloudy skies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

DEM analysis of the effect of interface transition zone on dynamic splitting tensile behavior of high-strength concrete based on multi-phase model

Highlights: • Crushable aggregates with the real geometry shape are generated by using clump-cluster method. • Flat-Joint Model is adopted as the constitutive law. • The tensile strength is almost not affected by ITZ strength when its strength exceeds 0.8 times that of mortar. • A modified formula that can reflect the functional relationship between the ITZ strength and the TDIF is proposed. The tensile strength is one of the main parameters in the design of concrete structures and has an important influence on the cracking performance and durability of concrete materials. As the weak region in concrete, the strength of the interface transition zone (ITZ) directly affects the dynamic mechanical response of concrete. Meanwhile, considering that the tensile performance of concrete is far weaker than its compressive performance, the study of the strength of ITZ is of great significance to the dynamic tensile fracture characteristics and mechanical properties of concrete. In this paper, a method combining 3D scanning technology and Clump-Cluster was proposed to generate a real geometry shape model of crushable aggregate. On this basis, the 3D discrete element model (DEM) of high-strength concrete was constructed using the Flat-Joint Model (FJM). The effects of the ITZ strength on the failure mode, number of microcracks, tensile strength and strain rate effect of high-strength concrete under strain rates from 0.01/s to 100/s were studied by splitting tensile test. The simulation results indicate that the number of microcracks generated decreases with the increase of ITZ strength, and the proportion of ITZ cracks decreases obviously. When the ITZ strength exceeds the critical value of 0.8 times that of mortar, the tensile strength is almost not affected by ITZ strength. In addition, based on the numerical simulation results, a modified formula that can reflect the functional relationship between the ITZ strength and the dynamic increasing factor of the concrete tensile strength (TDIF) is proposed, and the rationality of the TDIF modified formula is verified.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Split radiographic tracer technique to measure the full width of a high energy density mixing layer

In this work, we describe a new radiography–based technique for measuring the width of the mixing layer that develops when high–energy–density (HED) fluids of different density mix at an interface. In a traditional radiography target, the denser material includes an embedded, density–matched, high opacity, tracer layer to focus the radiograph on a 2D slice of the 3D flow field. The high opacity layer enhances the contrast between the dense and light materials that permits a clear identification of the spike front, i.e. penetration of the dense material into the light material, but obscures the bubble front, i.e. penetration of the light material into the heavy when the fluids are highly interpenetrated, as in a turbulent mixing layer. On the other hand, removing the tracer layer makes it difficult to identify the interface at all, due to poor contrast and an increased susceptibility to edge effects. Our solution is a split tracer approach where half the target uses the traditional geometry while the other half utilizes a special tracer layer in the light material to produce a radiograph with inverse x-ray opacity characteristics when backlit at a specified x–ray energy. Hydrodynamic equivalency is maintained between the two halves of the target. By making a single target with the traditional and inverse material pairs set side-by-side, we are able to simultaneously measure the penetration of bubbles and spikes in a deeply nonlinear flow, yielding the full mix width. We discuss this new target concept and present our first experiments at the National Ignition Facility (NIF) demonstrating the viability of this technique.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Mechanical behavior and texture evolution of WE43 magnesium-rare earth alloy in Split-Hopkinson Pressure Bar and Taylor Impact Cylinder Testing

Mechanical behavior and texture evolution of Mg rare-earth alloy WE43 is investigated for strain-rates 10 -3 /s to upwards of 10 5 /s for the two material conditions - as-cast (AC) and T6 age hardened, rolled plate (RT6). The high strain-rate behavior is tested using both Taylor cylinder impact tests (TC) and split Hopkinson pressure bar tests (SHB) and bulk textures are obtained using neutron diffraction. Unlike the quasi-static strained material, AC and RT6 SHB retained high hardening rates throughout the test, even up to 30% true strain. Moreover, the high strain-rate data revealed that the RT6 material has a much higher strength than the AC material, but similar hardening rates despite significantly different initial texture. The flow stress near yield increased up to I 0% for RT6 and up to 30% for AC as the strain-rate increased six orders of magnitude from quasi-static rates 10 -3 /s to 10 3 /s. Neither material exhibited significant plastic anisotropy over the broad range of strain rates, despite the fact that the RT6 material had a moderately strong initial texture. In the TC tests, the geometric cross-sectional changes and texture along the cylinder from the cylindrical sample foot to head are measured and from the neutron diffraction texture analysis, upper-bound estimates of twin volume fraction are obtained as well as dislocation density from analyzing diffraction peak broadening. Recorded geometrical changes along several loading directions show that the material has deformed remarkably homogeneously under impact. Analysis of deformed textures indicates that {101¯2} extension deformation twinning occurred in the RT6 condition over the range of strain rates, with an upper bound estimate of 40% twin volume fraction for approximately 0.10-0.25 true strain. The peak texture components after the impact have their c-axes closely aligned with the impact direction. As a result, these observations are presented and rationalized in the paper.

42 ENGINEERING↗