Quaternary Oxide Photoanode Discovery Improves the Spectral Response and Photovoltage of Copper Vanadates
Not Available
36 MATERIALS SCIENCE↗
SEARCH · Engineering Papers
Results for “LaN”
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.
Enhanced Bulk Transport in Copper Vanadate Photoanodes Identified by Combinatorial Alloying
Not Available
14 SOLAR ENERGY↗
Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes
Alkaline water electrolysis holds promise in decarbonizing the global economy by enabling renewable hydrogen production with non-precious group metal catalysts. Anion exchange membranes are an important component of alkaline water electrolyzers and would ideally be durable while allowing for high hydroxide conductivity. The poly(aryl piperidinium) (PAP) class of polymers has attracted recent interest due to their good mechanical robustness and high ionic conductivity. Here, in this work, we perform atomistic molecular dynamics (MD) simulations of several PAP polymers at experimentally relevant hydration levels and polymer ion exchange capacities (IECs) to gain nanoscale insight into their properties and to help elucidate the trade-offs that result from tuning the IECs through the polymer stoichiometry. Our MD-predicted macroscopic polymer properties were found to be in good agreement with experimentally available polymer swelling ratios, water-occupied volumes, X-ray scattering, and ionic conductivities. The models show that for hydration levels greater than 8H 2 O per cation a single water cluster will form that percolates through the system. The growth in water cluster size results in large polymer swelling, the creation of larger channels with widths of 7 Å or larger, and nanophase separation between the hydrophilic domains and the polymer with characteristic length scales of approximately 20–30 Å. The experimentally observed lack of a strong X-ray scattering peak at low wavevectors can be explained by a cancellation between the polymer-polymer/water-water and polymer-water correlations and not a loss in nanophase separation. The overlap in coordination environments of the hydroxide oxygen and polymer nitrogen atoms implies that vehicular diffusion between cationic groups could play a role in hydroxide transport. The polymers' hydroxide and water diffusion constants increase by approximately an order of magnitude between hydration levels of 8 and 20H 2 O per cation. However, there are diminishing returns in hydroxide diffusion constant once the IEC exceeds 2.4 meq/g.
08 HYDROGEN↗
Evaluation of elastic constants of M23C6 and M7C3 embedded in Fe-Cr-C alloys using in-situ XRD tensile test and self-consistent model
Not Available
Lee, Hoon (ORCID:0000000320040395)↗
Measurements of D–D fusion neutrons generated in nanowire array laser plasma using Timepix3 detector
Here, we present results of the neutron detection in laser plasma experiment with CD2 nanowire target. A hybrid semiconductor pixel detector Timepix3 covered with neutron converters was using for the detection neutrons. D-D fusion neutrons were detected in a plastic converter through recoiled protons. Both the energy of recoiled protons and time-of-flight of neutrons (and thus their energy) were determined. We report (2.4±1.8) × 10 7 neutrons generated for 1 J of incoming laser energy. Furthermore, we proved that Timepix3 is suitable for difficult operational conditions in laser experiments.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Event reconstruction in a liquid xenon Time Projection Chamber with an optically-open field cage
nEXO is a proposed tonne-scale neutrinoless double beta decay (0νββ) experiment using liquid 136 Xe (LXe) in a Time Projection Chamber (TPC) to read out ionization and scintillation signals. Between the field cage and the LXe vessel, a layer of LXe (“skin” LXe) is present, where no ionization signal is collected. Only scintillation photons are detected, owing to the lack of optical barrier around the field cage. Here, in this work, we show that the light originating in the skin LXe region can be used to improve background discrimination by 5% over previous published estimates. This improvement comes from two elements. First, a fraction of the γ-ray background is removed by identifying light from interactions with an energy deposition in the skin LXe. Then, background from 222 Rn dissolved in the skin LXe can be efficiently rejected by tagging the α decay in the 214 Bi- 214 Po chain in the skin LXe.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Feasibility of full-core pin resolved CFD simulations of small modular reactor with momentum sources
Complex flow structure interactions and heat transfer processes take place in nuclear reactor cores. Given the extreme pressure/temperature and radioactive conditions inside the core, numerical simulations offer an attractive and sometimes more feasible approach to study the related flow and heat transfer phenomena in addition to the experiments. Under the Exascale Computing Project, the full-core simulation of a small modular reactor (SMR) has been pursued coupling Computational Fluid Dynamics (CFD) and neutronics. A key aspect of the modeling of SMR fuel assemblies is the presence of spacer grids and the mixing promoted by mixing vanes or the equivalent. A reduced order methodology is adopted based on momentum sources to mimic the mixing of the vanes. The momentum sources have been carefully calibrated with detailed Large Eddy Simulations (LES) of spacer grids performed with Nek5000. Modeling the spacer grid and mixing vanes (SGMV) effect without body-fitted computational grid avoids the excessive costs in resolving the local geometric details, and thus supports the simulation to be scaled up to the full core. Besides the progress on momentum source modeling, this paper also features the first full-core pin resolved CFD simulation ever performed to the authors' knowledge. This represents a significant advancement in capability for the CFD of nuclear reactors, which will hopefully serve as an inspiration for further integrating high-fidelity numerical simulations in actual engineering designs.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Improved high-precision mass measurements of mid-shell neon isotopes
New mass values measured with the TITAN MR-TOF-MS are reported for the short-lived isotopes 24-26 Ne, produced at TRIUMF's ISAC facility using a uranium carbide target and cold FEBIAD ion source. A least-squares adjustment within the framework of the Atomic Mass Evaluation was performed and the improved precision of the new mass values is highlighted. The improved mass accuracy in this N = 14mid-shell region can also point to the refinement in values of the charge radii. By reducing the mass uncertainty of isotopes, their contribution of the mass shift uncertainty in laser spectroscopy can be negated. The work is part of developments for reaching the N = 20 Island of Inversion, where high molecular contamination hinders mass measurements of the neon isotopes.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
GPU algorithms for Efficient Exascale Discretizations
In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order applications on GPU-accelerated platforms. Furthermore, we discuss the GPU developments in several components of the CEED software stack, including the libCEED, MAGMA, MFEM, libParanumal, and Nek projects. We report performance and capability improvements in several CEED-enabled applications on both NVIDIA and AMD GPU systems.
97 MATHEMATICS AND COMPUTING↗
NekRS, a GPU-accelerated spectral element Navier–Stokes solver
The development of NekRS, a GPU-oriented thermal-fluids simulation code based on the spectral element method (SEM) is described. For performance portability, the code is based on the open concurrent compute abstraction and leverages scalable developments in the SEM code Nek5000 and in libParanumal, which is a library of high-performance kernels for high-order discretizations and PDE-based miniapps. Critical performance sections of the Navier–Stokes time advancement are addressed. Performance results on several platforms are presented here, including scaling to 27,648 V100s on OLCF Summit, for calculations of up to 60B gridpoints.
97 MATHEMATICS AND COMPUTING↗
Light mesons with one dynamical gluon on the light front
We obtain the light meson mass spectroscopy from the light-front quantum chromodynamics (QCD) Hamiltonian, determined for their constituent quark-antiquark and quark-antiquark-gluon Fock components, together with a three-dimensional confinement. The eigenvectors of the light-front effective Hamiltonian provide a good quality description of the pion electromagnetic form factor, decay constant, and the valence quark distribution functions following QCD scale evolution. We also show that the pion's gluon densities can be probed through the pion-nucleus induced $J/ψ$ production data. Our pion parton distribution functions provide excellent agreement with $J/ψ$ production data from widely different experimental conditions.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Transverse structure of the pion beyond leading twist with basis light-front quantization
We investigate the twist-3transverse-momentum-dependent parton distribution functions (TMDs) of the pion with basis light-front quantization. The twist-3 TMDs are not independent and can be decomposed into twist-2and genuine twist-3 terms from the equations of motion (EOM). We compute the TMDs from the resulting light-front wave functions obtained by diagonalizing the light-front QCD Hamiltonian, determined for pion’s constituent quark-antiquark and quark-antiquark-gluon Fock sectors, with three-dimensional confinement. We also obtain the twist-3 parton distribution functions (PDFs) and show that they preserve the sum rule, which affirms the robustness of our approach. This is the first time that theoretical predictions are made for subleading twist structures of the pion containing interference terms between two light-front Fock sectors.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗