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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Miniature DC electromagnetic pumps of molten lead and sodium to support development of Gen-IV nuclear reactors

This work developed designs of submerged, dual-regions, miniature DC-EM pumps for circulating molten lead and liquid sodium at ≤500 °C without active cooling for use in ex-pile and in-pile test loops to support of materials and fuel developments for Gen-IV sodium and molten lead fast nuclear reactor. These pumps with two pumping regions are 57 mm, 66.8 mm, 95.4 mm, and 133.5 mm in diameter and have two Alnico 5 permanent magnets with Hiperco-50 pole pieces for focusing the magnetic field lines in the flow duct. The Equivalent Circuit Model (ECM) linked to the Finite Element Method Magnetics (FEMM) software in MATLAB platform calculated the pumps characteristics for a wide range of parameters. Also determined are the pumps dimensions for the highest cumulative pumping power and peak efficiency. These dimensions are the height, width, and length of the flow duct, the thickness of the Alnico magnets, the length of current electrodes, and the separation distance between the two pumping regions. For molten lead, the pumping power increases from 368 W to 728 W, and the peak efficiency from 14.7% to 31.6% with increased pump diameter from 57 mm to 133.5 mm. In conclusion, for liquid sodium, both the pumping power and peak efficiency are higher, increasing from 392 W to 767 W and from 44.3 to 51.2%, respectively, with increased pump diameter from 57 mm to 133.5 mm.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Thermodynamics of cesium lead halide (CsPbX 3 , x= I, Br, Cl) perovskites

Inorganic cesium lead halide (CsPbX 3 , X = I, Br, Cl) perovskites have sparked broad interest for photovoltaic applications, which, however, may be plagued by chemical and thermodynamic instabilities. This work reports calorimetric studies on the formation enthalpies of CsPbX 3 perovskites, confirming decreasing thermodynamic stability in the order CsPbCl 3 , CsPbBr 3 and CsPbI 3 . Cesium lead iodide (CsPbI 3 ), one of the most studied inorganic lead halide perovskites, is shown to be only barely stable from a thermodynamic perspective. This order of increasing instability is consistent with the variation of Goldschmidt tolerance factor. The perovskites are high temperature entropy-stabilized phases with respect to low temperature polymorphs, with the thermodynamics of phase transitions reflecting the above thermodynamic trends.

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

P-Type Doping of Mixed Tin–Lead Halide Perovskites Using Electron Transfer to Mo(tfd-COCF3) 3 and F 4 TCNQ

Mixed tin-lead halide perovskites are emerging as promising candidates to address the toxicity issues of lead-based perovskites and to provide additional bandgap tunability for optoelectronic applications. Electron-transfer doping offers a prospective pathway to modulate electronic properties of metal-halide perovskites, while not disturbing the underlying crystal structure. However, limited research exists comparing molecular dopants for these systems. Here, our study investigates the p-type electron-transfer doping of the mixed tin-lead halide perovskite MAPb 0.5 Sn 0.5 I 3 (MA = methylammonium) using a sequential deposition approach (perovskite film followed by dopant incorporation) and the molecular dopants F 4 TCNQ and Mo(tfd-COCF 3 ) 3 . Up to 3 orders of magnitude higher carrier density and up to 2 orders of magnitude greater conductivity are achieved relative to the undoped samples, with F 4 TCNQ and Mo(tfd-COCF 3 ) 3 demonstrating similar doping efficiencies (associated with the ratio of mobile charges added to the number of dopant molecules incorporated) of 0.031(3) % and 0.024(3) %, respectively. Differences in the doping effectiveness for a given molarity doping solution likely follow from variations in dopant incorporation within the film during the spin coating deposition step.

14 SOLAR ENERGY↗
DOE OSTI2020

Lead-Free Cs 4 CuSb 2 Cl 12 Layered Double Perovskite Nanocrystals

Concerns about the toxicity of lead-based perovskites have aroused great interest for the development of alternative lead-free perovskite-type materials. Recently, theoretical calculations predict that Pb 2+ cations can be substituted by a combination of Cu 2+ and Sb 3+ cations to form a vacancy-ordered layered double perovskite structure with superior optoelectronic properties. However, accessibilities to this class of perovskite-type materials remain inadequate, hindering their practical implementations in various applications. Here, we report the first colloidal synthesis of Cs 4 CuSb 2 Cl 12 perovskite-type nanocrystals (NCs). The resulting NCs exhibit a layered double perovskite structure with ordered vacancies and a direct bandgap of 1.79 eV. A composition-structure-property relationship has been established by investigating a series of Cs 4 Cu x Ag 2-2x Sb 2 Cl 12 perovskite-type NCs (0 ≤ x ≤ 1). The composition-induced crystal structure transformation, thus the electronic bandgap evolution has been explored by experimental observations and further confirmed by theoretical calculations. Taking advantages of both the unique electronic structure and solution processability, we demonstrate that the Cs 4 CuSb 2 Cl 12 NCs can be solution-processed as high-speed photodetectors with ultrafast photo-response and narrow bandwidth. We anticipate that our study will prompt future research to design and fabricate novel and high-performance lead-free perovskite-type NCs for a range of applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Valve Regulated Lead Acid Battery Evaluation under Peak Shaving and Frequency Regulation Duty Cycles

This work highlights the performance metrics and the fundamental degradation mechanisms of lead-acid battery technology and maps these mechanisms to generic duty cycles for peak shaving and frequency regulation grid services. Four valve regulated lead acid batteries have been tested for two peak shaving cycles at different discharge rates and two frequency regulation duty cycles at different SOC ranges. Reference performance and pulse resistance tests are done periodically to evaluate battery degradation over the time. The results of the studies are expected to provide a valuable understanding of lead acid battery technology suitability for grid energy-storage applications.

25 ENERGY STORAGE↗
NASA NTRS2021

Wake Instability Behind Isolated Trip Near the Leading Edge of the BOLT-II Configuration

The BOLT-II (Holden Mission) configuration is an extended version of the BOLT flight article and depicts hypersonic boundary-layer transition in the presence of multiple and potentially interacting instability mechanisms. Several numerical studies of the boundary-layer instabilities over these configurations have been reported in the recent literature, including our previous studies of the modal instability characteristics of boundary-layer streaks adjacent to the minor-axis symmetry plane of the BOLT configuration and the wake instabilities behind a diamond planform (“pizza-box”) trip along the symmetry plane on the secondary side of the BOLT-II configuration. The present work extends the latter study to a scaled version of the same trip that is located in the region of nonzero crossflow in the vicinity of the leading edge at X/L = 0.5. Collectively, the trips along the symmetry plane and near the leading edge are the focus of the NASA roughness experiment on the secondary side of the BOLT-II configuration. The laminar basic state computation at the nominal flight design condition of Re ∞ = 5.44 x 10 6 /m and Re ∞ = 2.5 x 10 6 /m shows that the leading-edge trip with k/δ ≈ 0.70 and planform-side-length-to-height ratio of b/k = 3.0 induces multiple asymmetric, longitudinal streaks within the trip wake. The most prominent streak among these resembles a finite amplitude crossflow vortex, and it supports the amplification of multiple families of unstable modes. The application of multi-dimensional instability analysis to the wake flow reveals that the most amplified unstable mode can achieve a peak N-factor of up to 20 by X/L = 0.80, indicating that the onset of transition is more than likely to occur within eighty percent of the model length. To the best of our knowledge, the present study represents the first analysis including nonparallel and curvature effects on hypersonic tripwake instabilities in the presence of boundary-layer crossflow over a three-dimensional configuration.

Boundary layer transition↗
DOE OSTI2020

National Grid: Using the LEAD Tool Data to Target Energy Affordability Services to Eligible Customers in New York

In the following use case, investor-owned utility company, National Grid, used the Low-Income Energy Affordability Data (LEAD) Tool to support the implementation of its Home Energy Affordability Team (HEAT), a weatherization program for income-eligible residential natural gas customers in its service territory in Long Island, New York. Using LEAD Tool data, National Grid was able to determine how many households may be eligible for the program to inform additional marketing efforts. This use case is an example of how utilities of all sizes and types in the United States can use the LEAD Tool in similar ways to gain insights and better address customer energy affordability needs.

Low-Income Energy Affordability Data Tool, LEAD To↗
DOE OSTI2020

Benefits and risks of lead halide perovskite photovoltaics

Photovoltaics (PV) do not emit anything during operation, but, over their life-cycle, emissions are generated from the use of fossil-fuels in the extraction and production of materials and in the manufacturing and installation of PV components and systems. Nonetheless, these emissions are always very small compared to those from conventional combustion-based generators of electricity. The case for CO2 emissions has been well documented; over their lifetime, they range from 10 g CO2-eq / kWh for CdTe PV system installed in high-irradiation (2300 kWh/(m2-yr) locations to 80 g CO2-eq / kWh for Chinese single-crystalline silicon PV systems installed in low-irradiation (1000 kWh/(m2-yr) locations,1 compared to ~1000 g CO2-eq/kWh for electricity from coal. However, in the case of the rapidly emerging lead halide perovskite PV (LHP-PV) technology, concerns are raised regarding the potential of emissions of lead from the life-cycles of LHP-PV, including at their end of life. This warranted an evaluation of lead emissions from PV and comparisons with emissions in other power generation life-cycles.

Perovskites, PV, Lead, Risks↗
DOE OSTI2023

Triiodide Attacks the Organic Cation in Hybrid Lead Halide Perovskites: Mechanism and Suppression

Molecular I 2 can be produced from iodide-based lead perovskites under thermal stress; triiodide, I 3 − , is formed from this I 2 and I − . Triiodide attacks protic cation MA + - or FA + -based lead halide perovskites (MA + , methylammonium; FA + , formamidinium) as explicated through solution-based nuclear magnetic resonance (NMR) studies: triiodide has strong hydrogen-bonding affinity for MA + or FA + , which leads to their deprotonation and perovskite decomposition. Triiodide is a catalyst for this decomposition that can be obviated through perovskite surface treatment with thiol reducing agents. In contrast to methods using thiol incorporation into perovskite precursor solutions, no penetration of the thiol into the bulk perovskite is observed, yet its surface application stabilizes the perovskite against triiodide-mediated thermal stress. Thiol applied to the interface between FAPbI 3 and Spiro-OMeTAD (“Spiro”) prevents oxidized iodine species penetration into Spiro and thus preserves its hole-transport efficacy. Surface-applied thiol affects the perovskite work function; it ameliorates hole injection into the Spiro overlayer, thus improving device performance. It helps to increase interfacial adhesion (“wetting”): fewer voids are observed at the Spiro/perovskite interface if thiols are applied. Perovskite solar cells (PSCs) incorporating interfacial thiol treatment maintain over 80% of their initial power conversion efficiency (PCE) after 300 h of 85 °C thermal stress.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead‐Free Halide Double Perovskites

Abstract Lead‐free halide double perovskites provide a promising solution for the long‐standing issues of lead‐containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high‐intensity illumination. Their light‐to‐electricity or thermal‐to‐electricity conversion is strongly determined by the dynamics of the corresponding lattice vibrations. Here, the measurement of lattice dynamics is presented in a prototypical lead‐free halide double perovskite(Cs 2 NaInCl 6 ). The quantitative measurements and first‐principles calculations show that the scatterings among lattice vibrations at room temperature are at the timescale of ≈1 ps, which stems from the extraordinarily strong anharmonicity in Cs 2 NaInCl 6 . Further the degree of anharmonicity of each type of atom is quantitatively characterized in the Cs 2 NaInCl 6 single crystal, which stems from the interatomic forces, and demonstrate that this strong anharmonicity is synergistically contributed by the bond hierarchy, the tilting of the NaCl 6 and InCl 6 octahedral units, and the rattling of Cs + ions. Consequently, the crystalline Cs 2 NaInCl 6 possesses an ultralow thermal conductivity of ≈0.43 W mK −1 at room temperature, and a weak temperature dependence ofT −0.41 . These findings uncovered the underlying mechanisms behind the dynamics of lattice vibrations in double perovskites, which can largely benefit the design of optoelectronics and thermoelectrics based on halide double perovskites.

Chemistry↗
DOE OSTI2023

Single inclusive hadron production in DIS at small x: next to leading order corrections

We calculate the one-loop corrections to single inclusive hadron production in Deep Inelastic Scattering (DIS) at small x in the forward rapidity region using the Color Glass Condensate formalism. We show that the divergent parts of the next to leading order (NLO) corrections either cancel among each other or lead to x (rapidity) evolution of the leading order (LO) dipole cross section according to the JIMWLK evolution equation and DGLAP evolution of the parton-hadron fragmentation function. The remaining finite parts constitute the NLO (α s ) corrections to the LO single inclusive hadron production cross section in DIS at small x.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Super-leading logarithms in top-quark pair production at hadron colliders

To date, the appearance and resummation of “super-leading” logarithms in hadron-hadron collisions has been studied only for massless parton states. We extend the formalism to include an arbitrary number of massive final states. We derive the corresponding anomalous dimension and identify an additional Coulomb phase that gives rise to a new source of super-leading logarithms. We then perform a systematic leading-logarithmic resummation of these contributions for 2 → M processes. Finally, we analyze the numerical impact in partonic scattering processes for $t\bar{t}$ production, including a treatment of the Sommerfeld enhancement observed near threshold.

Effective Field Theories of QCD↗
DOE OSTI2021

Leading order corrections to the quantum extremal surface prescription

We show that a naïve application of the quantum extremal surface (QES) prescription can lead to paradoxical results and must be corrected at leading order. The corrections arise when there is a second QES (with strictly larger generalized entropy at leading order than the minimal QES), together with a large amount of highly incompressible bulk entropy between the two surfaces. We trace the source of the corrections to a failure of the assumptions used in the replica trick derivation of the QES prescription, and show that a more careful derivation correctly computes the corrections. Using tools from one-shot quantum Shannon theory (smooth min- and max-entropies), we generalize these results to a set of refined conditions that determine whether the QES prescription holds. We find similar refinements to the conditions needed for entanglement wedge reconstruction (EWR), and show how EWR can be reinterpreted as the task of one-shot quantum state merging (using zero-bits rather than classical bits), a task gravity is able to achieve optimally efficiently.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Measurement of inclusive and leading subjet fragmentation in pp and Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

This article presents new measurements of the fragmentation properties of jets in both proton–proton (pp) and heavy-ion collisions with the ALICE experiment at the Large Hadron Collider (LHC). We report distributions of the fraction $z_r$ of transverse momentum carried by subjets of radius $r$ within jets of radius $R$. Charged-particle jets are reconstructed at midrapidity using the anti-$k_T$ algorithm with jet radius $R$ = 0.4, and subjets are reconstructed by reclustering the jet constituents using the anti-$k_T$ algorithm with radii $r$ = 0.1 and $r$ = 0.2. In proton–proton collisions, we measure both the inclusive and leading subjet distributions. We compare these measurements to perturbative calculations at next-to-leading logarithmic accuracy, which suggest a large impact of threshold resummation and hadronization effects on the $z_r$ distribution. In heavy-ion collisions, we measure the leading subjet distributions, which allow access to a region of harder jet frag- mentation than has been probed by previous measurements of jet quenching via hadron fragmentation distributions. The $z_r$ distributions enable extraction of the parton-to-subjet fragmentation function and allow for tests of the universality of jet fragmentation functions in the quark–gluon plasma (QGP). We find no significant modification of $z_r$ distributions in Pb–Pb compared to pp collisions. However, the distributions are also consistent with a hardening trend for $z_r$ < 0.95, as predicted by several jet quenching models. As $z_r$ → 1 our results indicate that any such hardening effects cease, exposing qualitatively new possibilities to disentangle competing jet quenching mechanisms. By comparing our results to theoretical calculations based on an independent extraction of the parton-to-jet fragmentation function, we find consistency with the universality of jet fragmentation and no indication of factorization breaking in the QGP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Coherent gluon radiation: beyond leading-log accuracy

Abstract Results are presented for the medium-induced, soft coherent radiation spectrum for all 2 → 2 partonic channels in QCD, at leading-order inα s but beyond leading logarithmic accuracy. The general formula is valid in the full kinematic range of the underlying process, and reduces to previous results in special cases. The soft gluon radiation spectrum is expressed in terms of thecolor density matrixspecific to each channel, quantifying the entanglement between the color components of the 2 → 2 production amplitude. Beyond the leading logarithm, the spectrum depends explicitly on the off-diagonal elements of this matrix, owing to the soft gluon’s ability to probe the internal color structure of the parton pair.

Physics↗
DOE OSTI2026

Next-to-next-to-leading power corrections to unpolarized Semi-Inclusive Deep Inelastic Scattering

Semi-Inclusive Deep Inelastic Scattering (SIDIS) is a key tool for exploring the three-dimensional structure of the nucleon through Transverse Momentum Dependent parton distributions and fragmentation functions. While leading-power contributions to the SIDIS cross-section are well established, next-to-leading power (NLP) corrections of order 1/Q and next-to-next-to-leading power (NNLP) corrections of order 1/Q 2 to the hadronic tensor have only recently begun to be systematically investigated. These corrections are essential for reliable phenomenology and interpretation of modern high-precision data. In recent papers by one of the authors, NNLP corrections to the Drell-Yan process were derived using the rapidity factorization formalism. In the present work, we extend this approach to SIDIS and obtain analytic expressions for the unpolarized structure functions. We derive NNLP corrections that include convolutions of unpolarized distributions, f 1 , with unpolarized fragmentation functions, D 1 , and Boer-Mulders functions, ${h}_1^{\perp }$, with Collins fragmentation functions, ${H}_1^{\perp }$. We compare our results with previous formulations, provide numerical studies, confront our predictions with HERMES and COMPASS measurements, and present predictions for future experiments at Jefferson Lab and the Electron-Ion Collider.

deep inelastic scattering↗
DOE OSTI2022

Factorization for azimuthal asymmetries in SIDIS at next-to-leading power

Differential measurements of the semi-inclusive deep inelastic scattering (SIDIS) process with polarized beams provide important information on the three-dimensional structure of hadrons. Among the various observables are azimuthal asymmetries that start at subleading power, and which give access to novel transverse momentum dependent distributions (TMDs). Theoretical predictions for these distributions are currently based on the parton model rather than a rigorous factorization based analysis. Working under the assumption that leading power Glauber interactions do not spoil factorization at this order, we use the Soft Collinear Effective Theory to derive a complete factorization formula for power suppressed hard scattering effects in SIDIS. This yields generalized definitions of the TMDs that depend on two longitudinal momentum fractions (one of them only relevant beyond tree level), and a complete proof that only the same leading power soft function appears and can be absorbed into the TMD distributions at this order. We also show that perturbative corrections can be accounted for with only one new hard coefficient. Factorization formulae are given for all spin dependent structure functions which start at next-to-leading power. Prospects for improved subleading power predictions that include resummation are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗