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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A comparative analysis of numerical approaches for the description of gas flow in clay-based repository systems: From a laboratory to a large-scale gas injection test

There is nowadays a consensus among many countries that geological disposal is a favourable solution for the long-term management. Although different host formations and different barrier systems are under consideration around the world, clay-based materials form an important component for waste isolation in most national programmes. Hence, a good comprehension of the effect of gas flow on the hydro-mechanical behaviour of clay-based soils is essential, both at laboratory and field scale. Task B under the international cooperative project DECOVALEX-2023 has recently shown that, after some enhancement, models can be employed to reproduce laboratory scale tests, even with different sample geometries 37 . However, further work is required to understand whether they can be applied to simulate a large-scale experiment. Up-scaling of models for the advective transport of gas through clay-based low permeable material presents a number of problems related to the difficulty in obtaining consistent hydrogeological parameters and constitutive relationships at both laboratory and field scale. Based on a unique dataset from a large-scale gas injection test (Lasgit) performed at the Äspö Hard Rock Laboratory (Sweden), Task B within DECOVALEX-2023 has explored the refinement of these numerical strategies applied to the simulation of gas flow. Work performed within the task reveals that codes do not need to be substantially modified from the laboratory models to reproduce full-scale tests: indeed, model parameters calibrated and validated at laboratory scale have been applied to predict field scale gas flow at Lasgit, including peak gas pressure and injected cumulative gas volume. By means of (1) the introduction of interfaces between blocks to reflect the experimental configuration and the (2) adjustment of some parameters (e.g., higher permeability), the updated models are able to represent most of the key features observed in the experimental data, even at a large scale.

Tamayo-Mas, E↗
DOE OSTI2024

Multinuclear PFGSTE NMR description of 39 K, 23 Na, 7 Li, and 1 H specific activation energies governing diffusion in alkali nitrite solutions

While pulsed field gradient stimulated echo nuclear magnetic resonance (PFGSTE NMR) spectroscopy has found widespread use in the quantification of self-diffusivity for many NMR-active nuclei, extending this technique to uncommon nuclei with unfavorable NMR properties remains an active area of research. Potassium-39 ( 39 K) is an archetypical NMR nucleus exhibiting an unfavorable gyromagnetic ratio combined with a very low Larmor frequency. Despite these unfavorable properties, this work demonstrates that 39 K PFGSTE NMR experiments are possible in aqueous solutions of concentrated potassium nitrite. Further, analysis of the results indicates that 39 K NMR diffusometry is feasible when the nuclei exhibit spin–lattice and spin–spin relaxation coefficients on the order of 60–100 ms and 50–100 ms, respectively. The diffusivity of 39 K followed Arrhenius behavior, and comparative 23 Na, 7 Li, and 1 H PFGSTE NMR studies of equimolal sodium nitrite and lithium nitrite solutions led to correlations between the enthalpy of hydration with the activation energy governing self-diffusion of the cations and also of water. Realizing the feasibility of 39 K PFGSTE NMR spectroscopy has a widespread impact across energy sciences because potassium is a common alkali element in energy storage materials and other applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Thermodynamic description of molten salt systems: KCl-LiCl-NaCl and KCl-LiCl-NdCl 3

The mixture of KCl and LiCl has been used as electrolyte in the electrorefining process to recover uranium from used nuclear fuels due to the low melting point. However, lanthanides and sodium in the reactor waste continuously dissolve into it and thus alter its thermodynamic properties. To understand the thermodynamic behavior evolution of the electrolyte with the accumulation of impurities, thermodynamic modeling for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and four constituent binary systems in the entire composition space was performed using the CALPHAD (CALculation of PHAse Diagrams) approach. The ionic liquid was described by the two-sublattice model, where neutral species were introduced to consider short-range ordering (SRO) within the melt, whereas the solid solution was modeled based on the Compound Energy Formalism. Literature data on phase equilibria and thermochemical properties were critically evaluated and used during the optimization of thermodynamic parameters for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and their subsystems. The calculated phase diagrams and mixing enthalpies are in good agreement with the experimental data. The thermodynamic modeling for the KCl-LiCl-NdCl 3 system was carried out for the first time. To fill the gap in experimental measurement, enthalpy of mixing for the KCl-LiCl-NdCl 3 melt was estimated using the surrounded-ion model. These data then served as critical inputs for thermodynamic optimization. Furthermore, the present study can provide insights into thermodynamic property evolution of the electrolyte and solubility limit of various impurities during the electrorefining process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Intruder band mixing in an ab initio description of 12 Be

The spectrum of 12 Be exhibits exotic features, e.g., an intruder ground state and shape coexistence, normally associated with the breakdown of a shell closure. While previous phenomenological treatments indicated the ground state has substantial contributions from intruder configurations, it is only with advances in computational abilities and improved interactions that this intruder mixing is observed in ab initio no-core shell model (NCSM) predictions. In this work, we extract electromagnetic observables and symmetry decompositions from the NCSM wave functions to demonstrate that the low-lying positive parity spectrum can be explained in terms of mixing of rotational bands with very different intrinsic structure coexisting within the low-lying spectrum. These observed bands exhibit an approximate SU(3) symmetry and are qualitatively consistent with Elliott model predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements

Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experiments of water-moderated plutonium metal arrays: part I — description

In the mid-1970s and early 1980s, almost one hundred critical and approach-to-critical experiments using water-moderated plutonium metal arrays were performed at the Rocky Flats Critical Mass Laboratory. The experiments were performed in two programs: 2x2xN arrays conducted in the 1970s and 3x3x3 arrays conducted in the 1980s. Both sets of experiments used the same double-canned plutonium parts and were water moderated. The major differences between the two programs were the support structure and tank and the administrative limits on criticality. This paper summarizes the critical data and results of both sets of experiments. In conclusion, these experiments are then analyzed in a companion paper.

42 ENGINEERING↗
DOE OSTI2021

Statistical description of coalescing magnetic islands via magnetic reconnection

The physical picture of interacting magnetic islands provides a useful paradigm for certain plasma dynamics in a variety of physical environments, such as the solar corona, the heliosheath and the Earth's magnetosphere. In this work, we derive an island kinetic equation to describe the evolution of the island distribution function (in area and in flux of islands) subject to a collisional integral designed to account for the role of magnetic reconnection during island mergers. This equation is used to study the inverse transfer of magnetic energy through the coalescence of magnetic islands in two dimensions. We solve our island kinetic equation numerically for three different types of initial distribution: Dirac delta, Gaussian and power-law distributions. The time evolution of several key quantities is found to agree well with our analytical predictions: magnetic energy decays as $\tilde {t}^{-1}$ , the number of islands decreases as $\tilde {t}^{-1}$ and the averaged area of islands grows as $\tilde {t}$ , where $\tilde {t}$ is the time normalised to the characteristic reconnection time scale of islands. General properties of the distribution function and the magnetic energy spectrum are also studied. Finally, we discuss the underlying connection of our island-merger models to the (self-similar) decay of magnetohydrodynamic turbulence.

Physics↗
DOE OSTI2022

Description of global EGAM in the maximum of local frequency during current ramp-up discharges in DIII-D

Energetic-particle-induced geodesic acoustic modes, EGAMs (Fu, Phys. Rev. Let., vol. 101, 2008, pp. 185002), driven by neutral beam injection (NBI), have been observed in many DIII-D tokamak experiments (Nazikian et al., Phys. Rev. Lett., vol. 101, 2008, pp. 185001). This mechanism has been theoretically investigated in (Qiu et al., Plasma Phys. Control. Fusion, vol. 52, 2010, pp. 095003), using a sharp energetic particle distribution function, and in (Qu et al., Plasma Phys. Control. Fusion, vol. 59, 2017, pp. 055018), where the dispersion relation and eigenmode behaviour were obtained for the situation of early beam scenario, that is, for times smaller than the beam slowing down time. In this work, we extend these studies determining the eigenmode for beyond the slowing down time, in a scenario with reverse safety factor q profile, where a small concentration of energetic ions can produce an off-axis maximum in the GAM dispersion relation. Here, the characteristics of EGAM are analytically studied with the drift kinetic equation together with the MHD code NOVA. The toroidal energetic ion transit frequency, coupled with the GAM frequency, produces the maximum in the dispersion relation where the eigenmode can be found. The quantitative correspondence of experimental results with the predictions of the proposed model is analysed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗