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At least 37 records · Page 2

Probing thermodynamics of radiogenic helium and defects in $δ$-plutonium alloys and interactions with adsorbed environmental gases

Differential scanning calorimetry coupled with simultaneous evolved gas analysis (DSC-EGA) on aged δ-Pu samples shows that most radiogenic helium remains trapped within the Pu matrix at temperatures very close to, or slightly above, the melting temperature. Our results indicate that helium release from 50-year-old δ-Pu occurs as a burst just below the melting temperature (>0.994 T m ), with subsequent pressure oscillations as temperature increases. Subordinate quantities of H 2 were also released along with helium. Here, the helium emission tails off and ceases above ~720 – 750°C. In a δ-Pu alloy aged 6 years, the initial helium burst occurs slightly above melting (~1.015 – 1.042 T m ), with a discrete, larger helium spike occurring between 670 and 686°C. The proximity of helium release to the liquidus transition presented challenges in the deconvolution of overlapping process enthalpies, the liquidus endotherm, and the exotherm resulting from bubble collapse, annealing and gas expulsion. Helium’s strong affinity for vacancy binding in a 2He-vac configuration is predicted by Density Functional Theory (DFT) modeling. The measured stored energy associated with the He release events in a 50-year-old δ alloy is on the order of ~ 10–11 J/g, which is significantly higher than stored energies measured in the sub-solidus regimes (~2 J/g) that are related to the solid-state annealing of processing- and radiation-induced defects. This implies that aged δ Pu alloys have a remarkable resilience to accommodate the lattice strain produced by the internal pressure of the helium bubbles and provides further insight into the thermodynamic behavior of aged δ Pu.

36 MATERIALS SCIENCE↗

Air-coupled tsunamis generated from impacts and airbursts: Our understanding before Hunga-Tonga Hunga-Ha'apai

The effort to prevent or mitigate the effects of an impact on Earth is known as planetary defense. A significant component of planetary defense research involves risk assessment. Much of our understanding of the risk from near-Earth objects comes from the geologic record in the form of impact craters, but not all asteroid impacts are crater-forming events. Small asteroids explode before reaching the surface, generating an airburst, and most impacts into the ocean do not penetrate the water to form a crater in the sea floor. The risk from these non-crater-forming ocean impacts and airbursts is difficult to quantify and represents a significant uncertainty in our assessment of the overall threat. We are currently working to better understand impact scenarios that can generate dangerous tsunamis. One of the suggested mechanisms for the production of asteroid–generated tsunamis is by direct coupling of the pressure wave to the water, analogous to the means by which a moving weather front can generate a meteotsunami. To test this hypothesis, we ran a series of airburst simulations and provided time-resolved pressure and wind profiles to use as source functions for tsunami models. We used the CTH hydrocode to model the various airburst scenarios to compare to the results of other simulations and provide time dependent boundary conditions as input to shallow-water wave propagation codes. The strongest and most destructive meteotsunamis are generated by atmospheric pressure oscillations with amplitudes of only a few hPa1 (mbar), corresponding to changes in sea level of a few cm. The resulting wave is strongest when there is a resonance between the ocean and the atmospheric forcing. A Proudman resonance takes place when the atmospheric disturbance’s translational speed (U) equals the longwave phase speed $\sqrt{gh}$ of shallow water wave. Coupling is strongest when the Froude number (Fr=U/c) is unity. A weather front propagates much slower than the speed of sound, so meteotsunamis are most common and dangerous in shallow bodies of water such as the Mediterranean Sea or Lake Michigan. By contrast, the blast wave from an airburst or crater-forming impact propagates at a speed faster than a tsunami in the deepest ocean, and a Proudman resonance cannot be achieved even though the overpressures are orders of magnitude greater. However, blast wave profiles are N-waves in which a sharp shock wave leading to overpressure is followed by a more gradual rarefaction to a much longer-duration underpressure phase. Even though the blast outruns the water wave it is forcing, the tsunami should continue to be driven by the out-of-resonance gradient associated with the suction phase, which may depend strongly on the details of the airburst or impact scenario. The open question is whether there are any conditions under which such an airburst-driven tsunami can be dangerous enough to contribute to the overall impact risk. We have also identified other potential mechanisms for airburst-generated tsunamis: 1) reaction force at the surface from the plume ejected into space, which carries significant momentum, 2) expanding toroidal vortices at the surface, which travel more slowly than the shock wave and can generate a Proudman resonance in relatively shallow ocean (such as continental shelf), and 3) steam explosion from seawater ablation by a “Type II” (Libyan Desert Glass-type) airburst in which the hot vapor jet descends to the surface. On January 15, 2022, the Hunga-Tonga Hunga-Ha’apai volcano, located approximately 60 km north of Tongatapu, the main island of Tonga, violently erupted with a powerful explosion, culminating the period of volcanic activity that started in December of 2021. This event and resulting tsunamis provided an existence proof for the air pressure wave coupling mechanism we proposed. It also suggests that it can be stronger and more significant over much greater distances than we contemplated, leading to global tsunamis associated with impact events on land as well as in the water. Large atmospheric explosions generate global Lamb waves with larger amplitudes, longer periods, and slower speeds than the local and regional blast waves we modeled prior to that event. This paper reviews our analysis and modeling of airburst-driven tsunamis prior to the 2022 Hunga-Tonga Hunga-Ha’apai tsunami, which was the subject of two presentations at the 2023 Planetary Defense Conference and is the subject of another paper currently in preparation.

54 ENVIRONMENTAL SCIENCES↗

The EGS Collab project: Outcomes and lessons learned from hydraulic fracture stimulations in crystalline rock at 1.25 and 1.5 km depth

With the goal of better understanding stimulation in crystalline rock for improving enhanced geothermal systems (EGS), the EGS Collab Project performed a series of stimulations and flow tests at 1.25 and 1.5 km depths. The tests were performed in two well-instrumented testbeds in the Sanford Underground Research Facility in Lead, South Dakota, United States. The testbed for Experiment 1 at 1.5 km depth contained two open wells for injection and production and six instrumented monitoring wells surrounding the targeted stimulation zone. Four multi-step stimulation tests targeting hydraulic fracturing and nearly year-long ambient temperature and chilled water flow tests were performed in Experiment 1. The testbed for Experiments 2 and 3 was at 1.25 km depth and contained five open wells in an outwardly fanning five-spot pattern and two fans of well-instrumented monitoring wells surrounding the targeted stimulation zone. Experiment 2 targeted shear stimulation, and Experiment 3 targeted low-flow, high-flow, and oscillating pressure stimulation strategies. Hydraulic fracturing was successful in Experiments 1 and 3 in generating a connected system wherein injected water could be collected. However, the resulting flow was distributed dynamically, and not entirely collected at the anticipated production well. Thermal breakthrough was not observed in the production well, but that could have been masked by the Joule-Thomson effect. Shear stimulation in Experiment 2 did not occur - despite attempting to pressurize the fractures most likely to shear - because of the inability to inject water into a mostly-healed fracture, and the low shear-to-normal stress ratio. The EGS Collab experiments are described to provide a background for lessons learned on topics including induced seismicity, the correlation between seismicity and permeability, distributed and dynamic flow systems, thermoelastic and pressure effects, shear stimulation, local geology, thermal breakthrough, monitoring stimulation, grouting boreholes, modeling, and system management.

15 - GEOTHERMAL ENERGY↗

A weighted Shifted Boundary Method for free surface flow problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods and was recently introduced for the Poisson, linear advection/diffusion, Stokes, Navier-Stokes, acoustics, and shallow-water equations. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we extend the SBM to the simulation of incompressible Navier-Stokes flows with moving free-surfaces, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach prevents spurious pressure oscillations in time, which would otherwise be produced if the total active fluid volume were to change abruptly over a time step. In fact, the proposed weighted SBM method induces small mass (i.e., volume) conservation errors, which converge quadratically in the case of piecewise-linear finite element interpolations, as the grid is refined. Finally, we present an extensive set of two- and three-dimensional tests to demonstrate the robustness and accuracy of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A weighted shifted boundary method for immersed moving boundary simulations of Stokes' flow

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. The surrogate domain is constructed so as to avoid cut cells and the associated problematic implementation and numerical integration issues. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions: hence the name of the method, that shifts the location and values of the boundary conditions. Here, in this article, we extend the SBM to the simulation of incompressible Stokes flow, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach allows to drastically reduce spurious pressure oscillations in time, which are produced if the total volume of active fluid were to change abruptly over a time step. The proposed Weighted SBM (W-SBM) exactly preserves states of hydrostatic equilibrium, and induces small mass and momentum conservation errors, which converge as the grid is refined. This is in analogy to cutFEMs and related unfitted approaches, which rely on an affine representation of cut boundaries. We demonstrate the robustness and accuracy of the proposed method with an extensive suite of two-dimensional tests.

97 MATHEMATICS AND COMPUTING↗

Analysis of combustion acoustic phenomena in compression–ignition engines using large eddy simulation

As computational capabilities continue to grow, exploring the limits of computational fluid dynamics to capture complex and elusive phenomena, which are otherwise difficult to study by experimental techniques, is one of the main targets for the research community. This paper presents a detailed analysis of the physical processes that lead to combustion noise emissions in internal combustion engines. In particular, diesel combustion in a compression-ignition (CI) engine is studied in order to understand the singular behavior of the in-cylinder flow field responsible for the acoustic emissions. The main objective is, therefore, to improve the understanding of the phenomena involved in CI engine noise using large eddy simulations. Several visualization methods are employed to investigate the connection between combustion behavior and its effects on the pressure field. In addition, proper orthogonal decomposition is used to analyze the modal energy distribution among all the acoustic modes. The results show that the acoustic signature is fundamentally conditioned by the intensity of the premixed combustion rather than by the pressure oscillations generated by turbulent fluctuations in the flame surface established during the diffusion stage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Detection of Hole Pockets in the Candidate Type-II Weyl Semimetal MoTe 2 from Shubnikov-de Haas Quantum Oscillations

We report the bulk electronic structure of T d -MoTe 2 features large hole Fermi pockets at the Brillouin zone center (Γ) and two electron Fermi surfaces along the Γ-X direction. However, the large hole pockets, whose existence has important implications for the Weyl physics of T d -MoTe 2 , has never been conclusively detected in quantum oscillations. This raises doubt about the realizability of Majorana states in T d -MoTe 2 , because these exotic states rely on the existence of Weyl points, which originated from the same band structure predicted by density functional theory (DFT). Here, we report an unambiguous detection of these elusive hole pockets via Shubnikov–de Haas (SdH) quantum oscillations. At ambient pressure, the quantum oscillation frequencies for these pockets are 988 and 1513 T, when the magnetic field is applied along the c axis. The quasiparticle effective masses m* associated with these frequencies are 1.50 and 2.77 m e , respectively, indicating the importance of Coulomb interactions in this system. We further measure the SdH oscillations under pressure. At 13 kbar, we detected a peak at 1798 T with m* = 2.86 m e . Relative to the oscillation data at a lower pressure, the amplitude of this peak experienced an enhancement, which can be attributed to the reduced curvature of the hole pockets under pressure. Combining our experimental data with DFT +U calculations, where U is the Hubbard parameter, our results shed light on why these important hole pockets have not been detected until now.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantification of Variation in Combustion Instability Amplitude in a Multi-Nozzle Can Combustor

In this work, we quantify the level of variation in unstable combustion oscillation amplitudes and identify the source of this variation in a multi-nozzle can combustor. At conditions where pollutant emissions are reduced, lean-premixed combustors can undergo thermoacoustic instability when pressure and heat release rate oscillations couple. A commonly used method for suppressing instability is fuel staging, which is a method where fuel is unevenly distributed between nozzles in a multi-nozzle combustor. Our work follows others who have characterized the effect of fuel staging on combustion instability and the mechanisms by which it works during both steady-state and transient operation. One of the outcomes from our previous work was that certain instability operating points display a high level of pressure oscillation amplitude variation. Instead of oscillating at a constant limit-cycle amplitude, the pressure oscillation amplitude varies significantly in time. In this work, we use the concept of permutation entropy to quantify the level of variation in the pressure fluctuation amplitude. We correlate the level of variation with a number of state variables over a range of operating conditions, 291 test cases in all. These state variables include mixture equivalence ratio; transient timescale, amplitude, and direction; hardware temperatures; gas temperatures; and thermoacoustic damping and growth rates. Significant pressure oscillation amplitude variation occurs when the thermoacoustic damping rate is low. The damping and growth rates can be low for a number of reasons, but they are highly correlated with the metal temperature of the centerbody, where the flames are anchored; lower temperatures result in lower damping rates during stable operation and lower growth rates during unstable operation. These results show the importance of the thermal boundary condition on the time-dependent behavior of the thermoacoustic instability.

Westfall, Seth↗

Onset of cavitation and vapor bubble development over hydrophilic and hydrophobic surfaces

Cavitation, the formation of vapor bubbles as the liquid pressure is reduced below the saturated vapor pressure, often requires a substantial negative relative pressure in a pure liquid. Classical nucleation theory (CNT) provides an estimate for the rate of cavitation but there is often a disconnect between the predictions at the molecular scale compared to observations at the macroscale. We report on mesoscale simulations of cavitation based on many-body dissipative particle dynamics (mDPD), a coarse-grained molecular dynamics (MD), which bridges the two scales. A liquid layer is confined between smooth planar walls at a constant temperature, while the pressure is reduced slowly by expanding the wall-bounded domain. The wetting properties of the liquid are determined by the parameters of the interaction potentials. With hydrophilic walls, homogeneous nucleation is observed in the liquid bulk. As a bubble forms and grows, it creates a strong pressure pulse and oscillations that cause other bubbles that may have formed slightly later to collapse. For a nearly neutral wall with a contact angle close to 90 ° , heterogeneous nucleation occurs at the walls at a smaller negative pressure and generates weaker pressure oscillations. With hydrophobic walls or seed particles, heterogeneous nucleation readily occurs, where fluctuations and the merger of transient surface bubbles are significant.

Science & Technology - Other Topics↗

Impact of equilibrium radial electric field on energy loss process after pedestal collapse

An impact of the equilibrium radial electric field on energy loss processes after pedestal collapse is numerically investigated using the BOUT++ framework. Using linear stability analysis, the resistive ballooning mode is shown to be stabilized by the radial shear of the equilibrium radial electric field. On the other hand, the energy loss level after the pedestal collapse increases if the equilibrium radial electric field is taken into account. The spatio-temporal and phase diagram analyses show that the equilibrium radial electric field partially cancels the fluctuation-driven toroidally axisymmetric radial electric field and weakens the E × B shearing rate after pedestal collapse, weakening the turbulence suppression by vortex shearing. Finally, the equilibrium radial electric field therefore increases turbulence intensity in nonlinear cyclic oscillations among pressure gradient, E × B shearing rate, and turbulence intensity, which gives rise to subsequent bursts of turbulent transport and increases the energy loss level.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effects of knock intensity measurement technique and fuel chemical composition on the research octane number (RON) of FACE gasolines: Part 1 – Lambda and knock characterization

The Research and Motor Octane Number (RON and MON) rate the knock propensity of gasoline in the Cooperative Fuel Research (CFR) engine by comparing the knock intensity of sample fuels relative to that of primary reference fuels (PRF), a binary blend of iso-octane and n-heptane. Important differences exist between standard octane testing and automotive spark ignition (SI) engine knock testing including speed, load, air-to-fuel equivalence ratio (lambda), and knock characterization, which lead to a discrepancy between a fuel’s RON rating and its knock resistance characterized on an automotive SI engine based on knock-limited spark advance. This publication is the first of a set of three publications which modify operating parameters of the RON test method (ASTM D2699) to investigate the effects of these differences with automotive SI engine knock-limited spark advance testing. A fuel’s standard RON is evaluated at the lambda of the highest knock intensity, whereas automotive SI engines typically operate at stoichiometry. Here, we analyze the effects of a stoichiometric RON rating methodology. Additionally, the knock intensity response from the standard CFR knockmeter system is compared to a cylinder pressure oscillation-based knock intensity at several lambda settings. All experiments were performed with a set of seven Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) gasolines with approximately 95 RON. The fuel chemical composition impacted the lambda of the highest knock intensity, which resulted in fuel-specific offsets between the standard and stoichiometric RON ratings. The knock system comparison showed significant offsets between cylinder pressure-based and knockmeter-based knock intensity levels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental Investigation of Interactions Between Two Closely Spaced Azimuthal Modes in a Multinozzle Can Combustor

Thermoacoustic instabilities in annular or circular combustors are often coupled with azimuthal modes. These modes can be characterized by a spin ratio (SR), which quantifies the dominant mode between two counter-rotating waves, and a phase difference between them, which is directly related to the orientation of the antinodal line. This study investigates the instability amplitudes, SR, and phase difference of two closely spaced (3% of their mean frequency), yet distinct azimuthal modes; one is the first azimuthal (1A) mode, and the other is a combination of first azimuthal and first longitudinal (1A1L) mode. Each mode itself consists of two peaks that are spaced even more closely in frequency (0.8%). Furthermore, distinct harmonics at 2× and 3× of these frequencies, presumably associated with nonlinearities, are also evident in the spectra. Each mode is bandpass filtered in spectrum to analyze them separately. For the 1A mode, the SR and phase difference exhibit a variety of behaviors—including quasi-periodic standing waves, spinning waves, and intermittency—depending on operating conditions such as thermal power and azimuthal fuel staging. Similar trends are observed for the 1A1 L mode. Moreover, there is clear coupling between the 1A and 1A1 L modes, as their SRs are almost synchronized during the quasi-periodic standing wave. This synchronization is observed in phase differences as well, but not in the instability amplitude. For spinning dominant wave conditions, the SRs of each mode have similar average values, but they fluctuate in a seemingly random fashion. For the phase difference, both average and fluctuation are not correlated. In contrast, the instability amplitudes are strongly correlated, with modulation of the 1A mode leading to that of the 1A1 L mode. Furthermore, these results clearly indicate that complex coupling occurs across closely spaced frequencies under instability conditions, coupling that must be understood in order to capture limit cycle dynamics.

33 ADVANCED PROPULSION SYSTEMS↗

Improvement of Numerical Methods in Pronghorn

During the fiscal year of 2021, the finite-volume method (FVM) was deployed in Pronghorn to provide improved efficiency, stability, and accuracy for coarse-mesh, thermal-hydraulics problems. While the main goals of fiscal year 2021 were met, several issues emerged from the early deployment of the finite-volume method in Pronghorn. These issues were: The compressible and incompressible formulations that were implemented are inadequate for many nuclear reactor flow problems; Omission of terms accounting for the porosity and Darcy-Forchheimer body force discontinuities in the Rhie-Chow interpolation lead to oscillations in pressure and velocity at these discontinuities; The FVM lacks a correction for non-orthogonal grids for computing accurate pressure gradient leading to loss of accuracy in regions with skewed elements; The FVM currently uses a monolithic solver. Monolithic solvers have issues dealing with the saddle-point nature of the discretized fluid equations. The result are bad convergence if direct factorization is not used and large memory consumption when direct factorization is used. These four issues are addressed in this report. In particular, we report the completion of the following task: Implementation of a weakly compressible formulation in the MOOSE Navier-Stokes module; Implementation of Moukalled’s method for including body forces in the RCI. Additionally, we identified the need to smooth the porosity using Moukalled’s face-cell smoothing operator; Implementation of a non-orthogonal correction for the Green-Gauss gradient computation; Preliminary implementation of a SIMPLE segregated solver.

97 MATHEMATICS AND COMPUTING↗

TEAMER - Extreme Events Modeling for the MARMOK-OWC Wave Energy Converter

Through the TEAMER program, Sandia National Laboratories (SNL) collaborated with IDOM Incorporated to study their MARMOK-Oscillating Water Column (MARMOK-OWC) wave energy conversion device. The study yielded a quantitative understanding of hydrodynamic pressures on the oscillating water column (OWC) device surfaces, the mooring tensions, and the dynamic performance of the device under extreme ocean wave conditions. This project utilized a comprehensive multi-phase Navier-Stokes flow solver with an overset body-fit mesh to predict fluid velocities and hydrodynamic forces on the MARMOK-OWC device. Computational Fluid Dynamics (CFD) analysis were conducted using OpenFOAM. This data includes the OpenFOAM cases (setup and data) to run the extreme events developed during the project. This project is part of the TEAMER RFTS 4 (request for technical support) program.

16 TIDAL AND WAVE POWER↗

Flow Instabilities in boiling channels and their suppression methodologies—A review

Small modular reactors (SMRs) are gaining significant attention as a promising solution for clean and sustainable nuclear-power generation. However, the operation of SMRs is subject to various challenges, including two-phase flow instabilities. Flow instability has the potential to trigger flow-induced vibration and cyclic fluctuations in local thermal stress. These instabilities frequently manifest because of the complex interplay among a multitude of factors, encompassing thermal-hydraulic conditions, the geometric configuration of the steam generator, and operational parameters. These conditions could subsequently lead to premature critical heat flux, equipment malfunctions, and other safety concerns. Here, the endeavor to address steam-generator flow instabilities is of utmost importance in augmenting the sustainability and efficiency of contemporary energy production. This study offers a comprehensive review of instabilities in two-phase flow, with a particular focus on the influential factors impacting the stability of flow boiling. Furthermore, it delves into the processes of identifying, characterizing, and ameliorating these instabilities, emphasizing pivotal findings, methodologies employed, and avenues for prospective research. The primary parameters of concern encompass the efficient transfer of thermal energy, the optimization of mass-flow rates, and the establishment of favorable boundary conditions, all in the context of steam generator design to alleviate instability for water-cooled SMRs. These discernments bear substantial ramifications for enhancing reactor performance and ensuring operational safety.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Tubular wave power device

A tubular wave energy converter configured to remain afloat near the surface of a wave field and trap a water column oscillating asymmetrically to the wave field in which the converter is located. Water column oscillations create a pressure flux providing motive power for a generator. The converter, generator and a powered payload making up an autonomous wave powered device are packaged to fit within and be deployed by a torpedo launcher. The autonomous device may be deployed above or beneath the surface. Device buoyant characteristics are configured to maintain the device afloat and self-righting toward an upright oriented for operation in the wave field.

Korde, Umesh↗

Pressure tuning of competing interactions on a honeycomb lattice

Exchange interactions are mediated via orbital overlaps across chemical bonds. Thus, modifying the bond angles by physical pressure or strain can tune the relative strength of competing interactions. Here we present a remarkable case of such tuning between the Heisenberg (J) and Kitaev (K) exchange, which respectively establish magnetically ordered and spin liquid phases on a honeycomb lattice. We observe a rapid suppression of the Néel temperature (T N ) with pressure in Ag 3 LiRh 2 O 6 , a spin-1/2 honeycomb lattice with both J and K couplings. Using a combined analysis of x-ray data and first-principles calculations, we find that pressure modifies the bond angles in a way that increases the ∣K/J∣ ratio and thereby suppresses T N . Consistent with this picture, we observe a spontaneous onset of muon spin relaxation (μSR) oscillations below T N at low pressure, whereas in the high pressure phase, oscillations appear only when T < T N /2. Unlike other candidate Kitaev materials, Ag 3 LiRh 2 O 6 is tuned toward a quantum critical point by pressure while avoiding a structural dimerization in the relevant pressure range.

36 MATERIALS SCIENCE↗