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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Parameterizing Convective Organization Effects With a Moisture-PDF Approach in Climate Models: Concept and a Regional Case Simulation

We propose a parameterization scheme of convective organization effects based on a moisture-distribution approach, which can reflect aggregation of convective cells within a model grid as well as the interaction between convection and spatial heterogeneity in free-troposphere moisture. With this concept, convective cells in an aggregated state are surrounded by air that is moister than the grid-mean condition, which provides a “shielding” effect favorable for deeper convective updrafts. Such effects are represented quantitatively via utilizing a schematic diagram about the geometric interpretation of convective cluster, dry area, and their contact area, in which both the convective cluster size and dry area fraction increase during the development of convection. Our sensitivity analyses indicate that the new scheme performs well in capturing the mean precipitation features. Excluding the convective organization effects in the model leads to a considerable reduction in the simulated precipitation magnitude. Notably, there exists an inverse relationship between background mean moisture condition and sub-grid moisture variability for a given rain rate, suggesting that with a high spatial heterogeneity in free-troposphere moisture, convection can still develop and maintain its strength under relatively dry background conditions, consistent with the convection-permitting model simulation. Overall, our new parameterization of convective organization effects can successfully reproduce the relationship between precipitation and sub-grid moisture variability, which is a missing element in traditional convection parameterization schemes but important for the simulations of precipitation variability at various scales in climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Kinetic-controlled transformations of group-III arsenide nanocubes

Tracking the structural evolution of colloidal nanocrystals (NCs) facilitates the mechanistic studies of their materials chemistry. NC engineering via phase transformation reveals the chemical and physical determinants that drive lattice-scale dynamic processes such as cation exchange. Here, in this study, we employed NCs to demonstrate the cation exchange process from Cu 3 As to InAs and GaAs within nanocubes. The symmetry conversion in unit cells from cubic Cu 3 As to hexagonal InAs and GaAs can be described using a schematic cellular automaton model, which suggests a simplified cube-to-sphere transition. The strong covalent characteristics of III–V materials highlight the kinetic control that navigates the tailorable transformation through either an isotropic trajectory, leading to hollow structures, or a topotaxial trajectory, with abundant stacking faults. The reconstruction of complex covalent bonds is envisioned as the foundation for the synthesis of NCs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

rNets: a standalone package to visualize reaction networks

In the study of chemical processes, visualizing reaction networks is pivotal for identifying crucial compounds and transformations. Traditional methods, such as network schematics and reaction path linear plots, often struggle to effectively represent complex reaction networks due to their size and intricate connectivity. Alternatives capable of leading with complexity include graph methods, but they are not user-friendly, lacking simplicity and modularity, which hinders their integration with widely-used research software. This work introduces rNets an innovative tool designed for the efficient visualization of reaction networks with a user-friendly interface, modularity, and seamless integration with existing software packages. The effectiveness of rNets is demonstrated through its application in analyzing three catalytic reactions, showcasing its potential to significantly enhance research both in homogeneous and heterogeneous catalysis fields. This tool not only simplifies the visualization process but also opens new avenues for exploring complex reaction networks in diverse research contexts.

Pablo-García, Sergio↗
DOE OSTI2024

Oxygen redox activities governing high-voltage charging reversibility of Ni-rich layered cathodes

A schematic illustration indicative of the improved structural reversibility through stabilizing oxidized oxygen by Al doping. The chemical reactions and phase transitions at high voltages are generally considered to determine the electrochemical properties of high-voltage layered cathodes such as Ni-rich rhombohedral oxides. Even if significantly higher SOCs (states-of-charge) are utilized above the capability of transition metal redox (primarily Ni and Co), the effect of oxygen redox on Ni-rich rhombohedral oxides still looks mysterious thereby necessitating research that can clarify the relationship between redox reactions and phase transitions. Here, we performed a comprehensive and comparative study of the cationic and anionic redox reactions, as well as the structural evolution of a series of commercial Ni-rich layered oxides with and without Al doping. We combined the results from X-ray spectroscopy, operando electrochemical mass spectrometry, and neutron diffraction with electrochemical properties and thereby revealed the different oxygen redox activities associated with structural and electrochemical degradations. We reveal that Al doping suppresses the irreversible oxygen release but enhances the lattice oxygen oxidization. With this modulated oxygen redox activity, the Ni-rich layered oxides’ notorious H2–H3 structural phase transition becomes highly reversible. Our findings disentangle the different oxygen redox activities during high-voltage cycling and clarify the role of dopants in the Ni-rich layered oxides in terms of structural and electrochemical stability, shedding light on the future direction of optimizing layered cathode materials for safer high energy-density secondary batteries.

Lee, Gi-Hyeok↗
DOE OSTI2025

Challenges and strategies for probing the composite interface of PEM electrolyzers and fuel cells using operando AP-XPS

Left: cross-section schematic of a membrane electrode assembly, the working electrode changing state with applied potential. Center: the operando cell design that enables snapshot data acquisition during trajectory movement. Right: resulting spectra. Understanding the surface chemistry of electrocatalyst systems under operando conditions is central to revealing the electrocatalytic cell's working mechanisms. Determination of these catalytic processes on a molecular scale and the involved components is fundamental to streamlining material design for energy conversion and storage applications. X-ray photoelectron spectroscopy (XPS) is an established technique used to study the chemical and electronic states of materials. While the surface sensitivity of XPS is typically high, use of tender X-ray energies and technical advancements have allowed for the direct probing of solid–vapor and solid–liquid interfaces. However, protocols and documentation of experimental considerations for operando XPS probing of working electrolyzers and fuel cells remain scarce. Herein, we report an approach for the study of working polymer electrolyte membrane (PEM) electrolysis cells using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). This approach directly probes the composite electrode surface on the membrane electrode assembly (MEA) in 100% relative humidity to establish a meaningful liquid layer for electrocatalysis. We carry out a systematic investigation from the cell constituent components to a fully assembled working operando electrolytic system and establish a method for AP-XPS study of the complex composite MEA, providing recommendations for data acquisition and component analysis.

Hamlyn, Rebecca↗
DOE OSTI2022

The QICK (Quantum Instrumentation Control Kit): Readout and control for qubits and detectors

We introduce a Xilinx RF System-on-Chip (RFSoC)-based qubit controller (called the Quantum Instrumentation Control Kit, or QICK for short), which supports the direct synthesis of control pulses with carrier frequencies of up to 6 GHz. The QICK can control multiple qubits or other quantum devices. The QICK consists of a digital board hosting an RFSoC field-programmable gate array, custom firmware, and software and an optional companion custom-designed analog front-end board. We characterize the analog performance of the system as well as its digital latency, important for quantum error correction and feedback protocols. We benchmark the controller by performing standard characterizations of a transmon qubit. We achieve an average gate fidelity of ℱ avg =99.93%. All of the schematics, firmware, and software are open-source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Beyond standard model particles in the atmospheric flux: a long-lived stau example

We discuss fluxes of long-lived supersymmetric (SUSY) particles produced in the atmosphere from ultra-high energy cosmic-ray interactions with air nuclei. We consider long-lived particle production which proceeds first via the on-shell formation of heavier particles in the SUSY spectrum and then their decays. Specifically, we focus on the production of stau pairs from the decays of squarks produced in the initial cosmic ray-air collision under the purview of gauge-mediated symmetry breaking models that have the stau as the next-to-lightest SUSY particle. The calculation of the resulting stau flux schematically mirrors that of prompt atmospheric neutrino production, however, with the energy scale of initial hadronic collision set to EeV energy scales of the incident cosmic rays rather than the PeV energies where the prompt atmospheric neutrino fluxes dominate over neutrino fluxes from pions and kaons, and with the appropriate stau production cross section. We show the effect of accounting for the energy distribution of the staus relative to the squark energy distributions. We discuss the potential for future ultra-high energy detectors similar in scope to IceCube-Gen2 to detect atmospheric staus via tracks going through the detector volume. Current collider constraints on stau pair production within the SUSY framework considered here are more constraining than those from a detector like IceCube-Gen2 over ten years.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Interplay of superconducting, metallic, and crystalline states of composite fermions at 𝜈 = $\frac{1}{6}$ in wide quantum wells

Evidence for developing fractional quantum Hall effect (FQHE) at filling fraction 𝜈 = 1/6 and 1/8 was recently reported in wide GaAs quantum wells [Wang et al., Phys. Rev. Lett. 134, 046502 (2025)]. In this article, we theoretically investigate the nature of the state at 𝜈 = 1/6 as a function of the quantum well width and the density by considering composite-fermion (CF) crystals, CF Fermi sea, and various kinds of paired CF states. The 𝑓-wave paired state has the lowest energy among the paired CF states. However, for parameters of interest, the energies of the CF crystal, the CF Fermi liquid, and the 𝑓-wave paired CF state are too close to distinguish. We, therefore, predict that 𝑖𝑓 the FQHE at 𝜈 = 1/6 is experimentally confirmed, this state would be an 𝑓-wave paired state of CFs, which can be verified by measurement of its thermal Hall conductance. Exact diagonalization studies on clean systems with up to eight electrons show that the ground states at 𝜈 = 𝑛/(6⁢𝑛 ± 1) are incompressible for all widths and densities we have considered, and are well described by the corresponding Laughlin and Jain states. We propose a phase diagram for large quantum well widths and densities in which at zero disorder, incompressible FQHE states are stabilized at 𝜈 = 𝑛/(6⁢𝑛 ± 1) and 𝜈 = 1/6, but in between these fillings the CF crystal is stabilized. We also present a qualitative discussion on the effects of disorder and propose a schematic phase diagram based on it. With disorder, which creates a spatial variation in the filling factor, two regimes are identified: (i) for small disorder, when the incompressible states percolate at the special fillings, FQHE with quantized Hall plateaus and vanishing longitudinal resistance should occur; and (ii) for larger disorder, when the CF crystal percolates, the longitudinal resistance rises with decreasing temperature but the domains of FQHE liquid produce minima at the special filling factors. Here, experiments are consistent with the latter scenario. We also mention a possible connection of the phase diagram presented here to a puzzling behavior observed for the fractional quantum anomalous Hall effect in pentalayer graphene.

Composite fermions↗
DOE OSTI2022

Structure of 43 P and 42 Si in a two-level shape-coexistence model

Exclusive cross sections for the 43 P(-1p) 42 Si reaction to the lowest 0 + and 2 + states, measured at NSCL with GRETINA and the S800, are interpreted in terms of a two-level mixing (collective) model of oblate and prolate co-existing shapes. Here, using the formalism developed for deformed nuclei we calculate the spectroscopic amplitudes and exclusive cross-sections in the strong coupling limit, where for 43 P the schematic wavefunction includes the coupling of the Nilsson [211] 1/2 proton orbit. Good agreement with the experimental data is obtained when the amplitude of the oblate configuration is larger or equal than 80%, suggesting that both nuclei are predominantly oblate, in line with theoretical expectations. Model predictions for excitation energies and electromagnetic observables, that could motivate further studies of both nuclei, are also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Deblurring for nuclei: 3D characteristics of heavy-ion collisions

Observables from nuclear and high-energy experiments can be degraded by detector performance and/or methodology in extracting the observables, such as of the final-state characteristics of heavy-ion collisions in relation to a coarsely estimated reaction-plane direction. We propose the use of deblurring methods, such as in optics, to correct for observable degradation. Our main focus is the restoration of triple-differential particle distributions in heavy-ion collisions. We demonstrate that these could be extracted from collision measurements following the Richardson-Lucy deblurring method from optics. We illustrate basic features of the restoration methodology in a schematic model assuming either ideal or more realistic particle detection. Here, the inferred three-dimensional (3D) distributions for collisions may be easier to interpret in terms of collision dynamics and sought properties of bulk matter than the currently employed Fourier coefficients, that combine information from different azimuthal angles relative to the reaction plane.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Fast emulation of quantum three-body scattering

Here, we develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are first trained by the exact scattering solutions of the governing Hamiltonian at a small number of points in its parameter space, and then employed to make interpolations and extrapolations in that space. Through a schematic nuclear-physics model with finite-range two and three-body interactions, we demonstrate the emulators to be extremely accurate and efficient. The computing time for emulation is on the scale of milliseconds (on a laptop), with relative errors ranging from 10 –13 to 10 –4 depending on the case. The emulators also require little memory. We argue that these emulators can be generalized to even more challenging scattering problems. Furthermore, this general strategy may be applicable for building the same type of emulators in other fields, wherever variational methods can be developed for evaluating physical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Probing proton cross-shell excitations through the two-neutron removal from 38 Ca

Bound states of the neutron-deficient, near-dripline nucleus 36 Ca were populated in two-neutron removal from the ground state of 38 Ca, a direct reaction sensitive to the single-particle configurations and couplings of the removed neutrons in the projectile wave function. Final-state exclusive cross sections for the formation of 36 Ca and the corresponding longitudinal momentum distributions, both determined through the combination of particle and γ-ray spectroscopy, are compared to predictions combining eikonal reaction theory and shell-model two-nucleon amplitudes from the USDB, USDC, and ZBM2 effective interactions. The final-state cross-section ratio σ($2$$^{+}_{1}$) / σ (0 + ) shows particular sensitivity and is approximately reproduced only with the two-nucleon amplitudes from the ZBM2 effective interaction that includes proton cross-shell excitations into the pf shell. Characterizing the proton pf-shell occupancy locally and schematically, an increase of the sd – pf shell gap by 250 keV yields an improved description of this cross-section ratio and simultaneously enables a reproduction of the B(E2;$0$$^{+}_{1}$ → $2$$^{+}_{1}$) excitation strength of 36 Ca. Furthermore, this highlights an important aspect if a new shell-model effective interaction for the region was to be developed on the quest to model the neutron-deficient Ca isotopes and surrounding nuclei whose structure is impacted by proton cross-shell excitations.

20 ≤ A ≤ 38↗