Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Th”

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.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Crystallographic structure and crystal field parameters in the [An IV (DPA) 3 ] 2- series, An = Th, U, Np, Pu

The [An IV (DPA) 3 ] 2- series with An = Th, U, Np, Pu has been synthesized and characterized using SC-XRD and vibrational spectroscopy. First principles calculations were performed, the total electron density is analyzed using the Quantum Theory of Atoms in Molecules. Crystal field parameters and strength parameters are deduced following a previous work on the Ln III analog series e.g. [J. Jung et al., Chem. – Eur. J., 2019, 25, 15112]. The trends in the parameters along the series are compared to the Ln III complexes. They evidence larger covalent interactions and larger J mixing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Materials design, synthesis, and transport properties of disordered rare-earth Zintl bismuthides with the anti -Th 3 P 4 structure type

The synthesis, structural elucidation, and transport properties of the extended series Ca 4–x RE x Bi 3 (RE = Y, La–Nd, Sm, Gd–Tm, and Lu; x ≈ 1) and Ca 4–x RE x Bi 3–δ Sb δ (RE = La, Ho, Er, and Lu; x ≈ 1, δ ≈ 1.5) are presented. Structural elucidation is based on single-crystal X-ray diffraction data and confirms the chemical drive of Ca4Bi3 with the cubic anti-Th 3 P 4 structure type (space group I4 ¯3d, no. 220, Z = 4) into a Zintl phase by the introduction of trivalent rare-earth atoms. The structure features complex bonding, heavy elements, and electron count akin to that of valence-precise semiconductors, making it an ideal target for thermoelectrics development. Introducing crystallographic site disorders at the cation site for the Ca 4–x RE x Bi 3 phase and both the cation and anion sites for the Ca 4–x RE x Bi 3–δ Sb δ phase brings about additional desirable characteristics for thermoelectric materials in the context of tuning knobs for lowering thermal conductivity. Electronic structure calculations of idealized Ca 3 YBi 3 and Ca 3 LaBi 3 compounds indicate the opening of indirect bandgaps at the Fermi level with magnitudes Eg = 0.38 eV and 0.57 eV, respectively. The electrical resistivity ρ(T) of some of the investigated phases measured on single crystals evolve in a metallic manner with magnitudes of order 1.4 mΩ cm near 500 K, thus supporting the notion of a degenerate semiconducting state, with the temperature dependence of the Seebeck coefficient α(T) suggesting the p-type behavior. Furthermore, the low electrical resistivity and the realization of a degenerate semiconducting state in the title phases present a window of opportunity for optimizing their carrier concentrations for enhanced thermoelectric performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

2D k -th nearest neighbour statistics: a highly informative probe of galaxy clustering

ABSTRACT Beyond standard summary statistics are necessary to summarize the rich information on non-linear scales in the era of precision galaxy clustering measurements. For the first time, we introduce the 2D k-th nearest neighbour (kNN) statistics as a summary statistic for discrete galaxy fields. This is a direct generalization of the standard 1D kNN by disentangling the projected galaxy distribution from the redshift-space distortion signature along the line-of-sight. We further introduce two different flavours of 2D kNNs that trace different aspects of the galaxy field: the standard flavour which tabulates the distances between galaxies and random query points, and a ‘DD’ flavour that tabulates the distances between galaxies and galaxies. We showcase the 2D kNNs’ strong constraining power both through theoretical arguments and by testing on realistic galaxy mocks. Theoretically, we show that 2D kNNs are computationally efficient and directly generate other statistics such as the popular two-point correlation function (2PCF), voids probability function, and counts-in-cell statistics. In a more practical test, we apply the 2D kNN statistics to simulated galaxy mocks that fold in a large range of observational realism and recover parameters of the underlying extended halo occupation distribution (HOD) model that includes velocity bias and galaxy assembly bias. We find unbiased and significantly tighter constraints on all aspects of the HOD model with the 2D kNNs, both compared to the standard 1D kNN, and the classical redshift-space 2PCF.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Robust cosmological inference from non-linear scales with k -th nearest neighbour statistics

ABSTRACT We present the methodology for deriving accurate and reliable cosmological constraints from non-linear scales ($\lt 50\, h^{-1}$ Mpc) with k-th nearest neighbour (kNN) statistics. We detail our methods for choosing robust minimum scale cuts and validating galaxy–halo connection models. Using cross-validation, we identify the galaxy–halo model that ensures both good fits and unbiased predictions across diverse summary statistics. We demonstrate that we can model kNNs effectively down to transverse scales of $r_{\rm p}\sim 3\, h^{-1}$ Mpc and achieve precise and unbiased constraints on the matter density and clustering amplitude, leading to a 2 per cent constraint on σ8. Our simulation-based model pipeline is resilient to varied model systematics, spanning simulation codes, halo finding, and cosmology priors. We demonstrate the effectiveness of this approach through an application to the Beyond-2p mock challenge. We propose further explorations to test more complex galaxy–halo connection models and tackle potential observational systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Energy dependence of $\textit{p}$ + 232 Th fission mass distributions: Mass-asymmetric standard I and standard II modes, and multichance fission

Background: The predominant mass-asymmetric fission of actinide nuclides occurs mainly through the so-called standard I and standard II modes. Though understood to be caused by shape-dependent shell structures encountered between the fission barrier deformation and scission, the most relevant shell gaps are still not firmly established. The standard I mode had been associated with the spherical doubly magic 132 Sn, and thus the $\textit{Z}$ = 50 proton shell, but recently it has been proposed that standard I and standard II are associated with quadrupole and octupole deformed gaps at $\textit{Z}$ = 52 and 56, respectively. Purpose: In this work, we investigate how the relative probabilities of the standard I and standard II modes vary with excitation energy near threshold, probing where the two modes bifurcate. Methods: The Australian National University Heavy Ion Accelerator Facility and CUBE fission spectrometer have been used to measure fission mass distributions for the $\textit{p}$ + 232 Th reaction (forming 233 Pa) at closely spaced bombarding energy intervals from 6.5 to 28 MeV. Results: A model-independent analysis of the energy dependence of the shape of the mass-asymmetric peak shows a strong dependence of the standard I and standard II relative probability on excitation energy near threshold. Conclusions: The results are consistent with the standard II mode having a lower fission barrier than standard I in 233 Pa, with the latter increasing continually in relative probability above its barrier energy. It is concluded that multichance fission, in particular last chance fission, plays a strong role in determining the observed energy dependence of all fission modes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Multinucleon transfer mechanism in Cf 250 + Th 232 collisions using the quantal transport description based on the stochastic mean-field approach

Production cross sections of heavy neutron-rich isotopes are calculated by employing quantal transport description in 250 Cf + 232 Th collisions. This quantal transport description is based on the stochastic mean-field approach, and it provides a microscopic approach beyond time-dependent Hartree-Fock theory to include mean-field fluctuations. Deexcitation of primary fragments is determined by employing the statistical GEMINI++ code. Here, calculations provide predictions for production cross sections of neutron rich transfermium isotopes without any adjustable parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Parametric Modeling and Economic Analysis of a 2MW th 3-Stream sCO 2 Heat Exchanger

Here, this paper presents the design and cost optimization of a novel 2MW th 3-stream sCO2 plate-fin heat exchanger. This heat exchanger design is unique in that it uses reduced metal oxide particle-to-sCO2 heat exchanger for cost-effective energy storage applications. The design uses low velocity, laminar air as the re-oxidizing reactant to transfer the heat of the re-oxidizing reaction to a sCO2 power loop. The design of the heat exchanger is based on a 2-D, 3-fluid plate/fin heat transfer model. The model parameterizes the size, shape, and number of passages of the heat exchanger to calculate the temperature profile, pressure drop, and fluid velocities of all three fluids. Global heat exchanger parameters such as the effectiveness and total heat transferred to the sCO2 are then calculated for overall performance. Due to the value and increased use of sCO2 heat exchangers in power cycles, a cost model of the system based on the unique high temperature/high pressure operating conditions was created using quotes from reference projects and market analysis. These quoted air-to-sCO2 heat exchangers are then processed using multiple weighting factors pertinent to heat exchanger design, including heat exchanger type, maximum temperature, differential pressures, fluids, duty, and more. These factors are then used in an exponential function in order to generate a parameterized cost curve. The design and cost of the heat exchanger are then optimized using the SMPSO genetic algorithm in Python. The optimization objectives for the system are to maximize the overall system effectiveness, including an air recuperator for preheating, and to minimize unit costs. Additional constraints are added to the system for the sCO2 and air pressure drops, air velocity to reduce particle entrainment, and the length and volume of the heat exchanger.

Cost Model↗
DOE OSTI2024

soogo (Surrogate-based 0-th Order Global Optimization) [SWR-24-57]

Surrogate-based 0-th Order Global Optimization for black-box problems. This software is comprised of active learning algorithms based on surrogate models to solve black-box optimization problems and other scientific applications. See also: https://pypi.org/project/soogo/

da Silva Pereira, Weslley↗
DOE OSTI2024

Proceedings of the 13 th US/German Workshop on Salt Repository Research, Design, and Operation

This report summarizes the proceedings of the 13 th US/German Workshop on Salt Repository Research, Design, and Operation hosted by Sandia National Laboratories on June 20-23, 2023, in Santa Fe, New Mexico, USA. Over 60 participants attended, representing Germany, United States, the Netherlands, Australia, and the United Kingdom, along with the IAEA. The purpose of the US/German Workshop is to foster in-person collaboration and dialogue amongst salt repository researchers and nuclear waste disposal implementers across international organizations. The workshop included five sessions of topical presentations and two breakout sessions to promote additional discussion on compelling topics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Support for U.S. Participants at the 18 th International Congress on Catalysis

The 18 th International Congress on Catalysis (ICC) was held Lyon, France on July 14-19, 2024. It provided a premier technical gathering in surface and organometallic catalysis, industrial homogeneous and heterogeneous catalysis, electrocatalysis, photocatalysis, and catalysis in condensed media. This meeting brough together participants from academia, industry, and national laboratories. The organization that overseed this meeting was the Council of the International Congress on Catalysis. This international committee has over 27 signature countries. The United States is represented in the Council of the International Congress on Catalysis through two permanent representatives. These representatives are elected by the Board of Directors of the North American Catalysis Society (NACS), an organization which coordinates and overseas the activities of 12 largely autonomous clubs within the United States, Canada, and Mexico. The critical importance of catalysis is reflected by the fact that 25-30% of all manufactured goods in the United States involve at least one catalytic step. Because advances in a large number of catalytic processes, which are crucial to U.S. interests, were presented at this meeting, it was important to ensure participation from both the U.S. academic and the industrial sectors.

02 PETROLEUM↗
DOE OSTI2020

Materials Data on Th(MoO4)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(MoO4)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2025

Extreme Enhancement-Mode Operation Accumulation Channel Hydrogen-Terminated Diamond FETs with V th < -6 V and High on-Current

In this work, a new Field Effect Transistor device concept based on hydrogen-terminated diamond (H-diamond) is demonstrated that operates in an Accumulation Channel rather than a Transfer Doping regime. The FET devices demonstrate both extreme enhancement-mode operation and high on-current with improved channel charge mobility compared to Transfer-Doped equivalents. Electron-beam evaporated Al 2 O 3 is used on H-diamond to suppress the Transfer Doping mechanism and produce an extremely high ungated channel resistance. A high-quality H-diamond surface with an unpinned Fermi level is crucially achieved, allowing for the formation of a high-density hole accumulation layer by gating the entire device channel which is encapsulated in dual-stacks of Al 2 O 3 . Completed devices with gate/channel length of 1 µm demonstrate record threshold voltage < -6 V with on-current > 80 mA mm -1 . Carrier density and mobility figures extracted by CV analysis indicate a high 2D charge density of ≈ 2 × 10 12 cm -2 and increased hole mobility of 110 cm 2 V -1 s -1 in comparison with more traditional Transfer-Doped H-diamond FETs. These results demonstrate the most negative threshold voltage yet reported for H-diamond FETs and highlight a powerful new strategy to greatly improve carrier mobility and enable enhanced high power and high frequency diamond transistor performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Search for a vector-like quark T' → tH via the diphoton decay mode of the Higgs boson in proton-proton collisions at $ \sqrt{s}$ = 13 TeV

A search for the electroweak production of a vector-like quark T', decaying to a top quark and a Higgs boson is presented. The search is based on a sample of proton-proton collision events recorded at the LHC at $ \sqrt{s} $ = 13 TeV, corresponding to an integrated luminosity of 138 fb$^{–1}$. This is the first T' search that exploits the Higgs boson decay to a pair of photons. For narrow isospin singlet T' states with masses up to 1.1 TeV, the excellent diphoton invariant mass resolution of 1–2% results in an increased sensitivity compared to previous searches based on the same production mechanism. The electroweak production of a T' quark with mass up to 960 GeV is excluded at 95% confidence level, assuming a coupling strength κ$_{T}$ = 0.25 and a relative decay width Γ/M$_{T'}$< 5%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗