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At least 577 records · Page 32

Coupled EM-PIC/Radiation Transport Simulations of HERMES Courtyard Experiments

A suite of coupled computational models for simulating the radiation, plasma, and electromagnetic (EM) environment in the High-Energy Radiation Megavolt Electron Source (HERMES) courtyard has been developed. In principle, this provides a predictive forward-simulation capability based solely on measured upstream anode and cathode current waveforms in the Magnetically Insulated Transmission Line (MITL). First, 2D R-Z ElectroMagnetic Particle-in-Cell (EM-PIC) simulations model the MITL and diode to compute a history of all electrons incident on the converter. Next, radiation transport simulations use these electrons as a source to compute the time-dependent dose rate and volumetric electron production in the courtyard. Finally, the radiation transport output is used as sources for EM-PIC simulations of the courtyard to com- pute electromagnetic responses. This suite has been applied to the November 2016 trials, shots 10268-10313. Modeling and experiment differ in significant ways. This is just the first iteration of a long process to improve the agreement, as outlined in the summary.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced Simulation and Experiments of Strongly Coupled Geomechanics and Flow for Gas Hydrate Deposits: Validation and Field Application. Final Report

The objectives of the proposed research are (1) to investigate geomechanical responses induced by depressurization experimentally and numerically; (2) to enhance the current numerical simulation technology in order to simulate complex physically coupled processes by depressurization and (3) to perform in-depth numerical analyses of two selected potential production test sites: one based on the deposits observed at the Ulleung basin UBGH2-6 site; and the other based on well-characterized accumulations from the westend Prudhoe Bay. To these ends, the recipient will have the following specific objectives: 1). Information obtained from multi-scale experiments previously conducted at the recipient’s research partner (the Korean Institute of Geoscience and Mineral Resources (KIGAM)) that were designed to represent the most promising known Ulleung Basin gas hydrate deposit as drilled at site UBGH2-6 will be evaluated (Task 2). These findings will be further tested by new experimental studies at Lawrence Berkeley National Laboratory (LBNL) and Texas A&M (TAMU) (Task 3) that are designed capture complex coupled physical processes between flow and geomechanics, such as sand production, capillarity, and formation of secondary hydrates. The findings of Tasks 2 and 3 will be used to further improve numerical codes. 2) Develop (in Tasks 4 through 6) an advanced coupled geomechanics and non-isothermal flow simulator (T+MAM) to account for large deformation and strong capillarity. This new code will be validated using data from the literature, from previous work by the project team, and with the results of the proposed experimental studies. The developed simulator will be applied to both Ulleung Basin and Prudhoe Bay sites, effectively addressing complex geomechanical and petrophysical changes induced by depressurization (e.g., frost-heave, strong capillarity, cryo-suction, induced fracturing, and dynamic permeability).

02 PETROLEUM↗

A scalable framework for efficient coupling of thermal and microstructural simulations in additive manufacturing

Predicting microstructure evolution in metal additive manufacturing (AM) is important for process optimization, but spatiotemporal scale disparities between thermal transport and microstructure evolution create significant challenges for efficient data transfer between simulation codes. To address this, we present Stork, a scalable framework for coupling thermal and microstructural simulations. Stork uses a sparse data representation to identify and store active solidification sub-volumes, enabling highly parallel quad-linear interpolation from coarse thermal grids to fine microstructure grids without large intermediate storage. We demonstrate the framework by coupling the semi-analytic heat transfer code 3DThesis with the time-parallel cellular automata code Toucan. This approach achieves over two orders of magnitude reduction in data generation time and file size compared to prior workflows. Numerical studies show that quad-linear interpolation preserves grain morphology and crystallographic texture in laser powder bed fusion (LPBF) simulations for coarsening ratios up to 16. Overall, Stork provides a scalable pathway for high-throughput, component-scale AM simulations on modern high-performance computing systems.

36 MATERIALS SCIENCE↗

Near-Earth asteroid satellite spins under spin-orbit coupling

We develop a fourth-order numerical integrator to simulate the coupled spin and orbital motions of two rigid bodies having arbitrary mass distributions under the influence of their mutual gravitational potential. We simulate the dynamics of components in well-characterized binary and triple near-Earth asteroid systems and use surface of section plots to map the possible spin configurations of the satellites. For asynchronous satellites, the analysis reveals large regions of phase space where the spin state of the satellite is chaotic. For synchronous satellites, we show that libration amplitudes can reach detectable values even for moderately elongated shapes. The presence of chaotic regions in the phase space has important consequences for the evolution of binary asteroids. It may substantially increase spin synchronization timescales, explain the observed fraction of asychronous binaries, delay BYORP-type evolution, and extend the lifetime of binaries. The variations in spin rate due to large librations also affect the analysis and interpretation of light curve and radar observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Coupling Finite Element and Finite Volume Simulation Within MOOSE

This work focuses on adding capability to couple finite element (FE) variables into finite volume (FV) physics within INL’s Multiphysics Object-Oriented Simulation Environment (MOOSE). This coupling can allow for improvement of multiphysics simulations where one set of physics is best suited for an FE discretization, while another set is best suited for an FV discretization. Electrohydrodynamics, which govern liquid metal reactor concepts and plasma dynamics, is a fitting example where the electromagnetic field equations are solved with FE and the fluid flow is solved with FV. The new FE to FV coupling method can be summarized as taking the element or face average of the FE variable value or gradient and applying that quantity directly in the FV equation objects.

97 MATHEMATICS AND COMPUTING↗

Transient analysis of a micro-reactor using the DireWolf code suite

Transient analyses of heat pipe micro-reactors are necessary to ensure that hypothetical accident scenarios do not comprise reactor safety. Due to its small size and reliance on heat-pipes for cooling, the micro-reactor design introduced in this paper is a tightly coupled system which requires multi-physics tools to accurately model transient events. Idaho National Laboratory's DireWolf code suite based on the MOOSE framework is tailor-built to model heat-pipe reactors. This paper demonstrates DireWolf's ability to simulate the coupled thermal-neutronics transient behavior of a heat-pipe micro-reactor. The transient events presented here include an inadvertent rotation of all control drums simultaneously and a sudden complete rotation of a single control drum. A detailed description of each event is provided along with simulation results, including time dependent power and temperature distributions, and discussion. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Strengthened Teleconnection of the Quasi‐Biennial Oscillation and Tropical Easterly Jet in the Past Decades in E3SMv1

The Energy Exascale Earth System Model version 1 (E3SMv1) is a new global model that can generate a weakened tropical easterly jet (TEJ) during the easterly quasi-biennial oscillation (EQBO) and a strengthened TEJ during the westerly QBO (WQBO), which is referred to as the QBO-TEJ teleconnection. Although the longitudinal structure of the QBO-TEJ teleconnection is different between reanalysis and simulations, we hypothesize that simulations can still provide insights into the observed long-term changes in the QBO-TEJ teleconnection. The Atmospheric Model Intercomparison Project historical simulations (AMIP-historical) generate a strengthened trend in the correlation between the QBO and TEJ indices in the period of 1950–2014 as in reanalysis. The comparison of the AMIP-historical and the Coupled Model Intercomparison Project coupled historical simulations (coupled-historical) shows that the warming of the Indian Ocean has played a vital role in the strengthened QBO-TEJ teleconnection over the past six decades.

54 ENVIRONMENTAL SCIENCES↗

Coupled Calculations of the NuScale FIV Tests – Pre-test Simulations and Sensitivity Analysis

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable components in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict FIV based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the conceptual design stage. Over the past several years, the Reactor Product Line has developed a FIV capability in SHARP. SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. In previous reports we have discussed the implementation and validation of an FIV capability for helical steam generators and fuel assemblies. In this report we discuss one-way coupled calculations performed with Nek5000 and Diablo for the NuScale FIV tests. In the turbulent fretting regime one-way coupling is judged to be sufficient because the pressure loads do not cause substantial displacements. It is also the most common source of vibration in helical steam generators per the low flows expected in integral PWRs. The simulations precede the tests, as experimental data was not available at the delivery of this report. Several assumptions had to be made on the support-tube interaction and multiple tests and sensitivity analysis have been performed. Additional work remains to be done and it is discussed in the future work section.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Effects of Gyroscopic Cross Coupling between Pitch and Roll on the Handling Qualities of VTOL Aircraft

In order to provide information relative to the effects of gyroscopic cross coupling between pitch and roll on the handling qualities of VTOL aircraft, a flight investigation has been conducted during which cross coupling was simulated. Generality is achieved by presenting the results of the flight investigation in the form of a criterion which may be used t o predict the acceptability of the level of cross coupling in VTOL aircraft as a function of the aircraft design parameters. The criterion is based on pilot's opinions of the acceptability of the motions for the range of cross coupling which was simulated during a maneuver in which cross coupling is particularly objectionable. is used to provide a basis for application of the criterion. The theory which i s developed is shown to predict accurately the aircraft motions.

Garren, John F., Jr.↗

Single-Bubble Flow Boiling Phenomena - Interface Tracking Simulation

Boiling, as one of the most efficient heat transfer mechanisms, is widely used in various engineering systems. Better understanding and modeling of this process remains a major challenge in multiphase flow research. The distribution of vapor in boiling system affects the heat transfer rate and may cause unfavorable conditions, such as heater burn-out. A number of flow regimes have been observed experimentally. In general, there are three regimes under boiling conditions: nucleate boiling, transition boiling, and film boiling. The nucleate boiling regime is categorized into partial boiling regime and fully developed nucleate boiling, according to behavior of bubble dynamics and heat transfer characteristics. In the first region, as the wall temperature increases, the fraction of the wall surface subject to nucleate boiling increases until bubble formation occupies the entire heated surface. Heat transfer in this region is a complex mixture of single-phase forced convection and nucleate boiling. As bubble density increases, bubbles turn to coalesce and form insulating vapor patches, which impedes liquid flow back to the surface. The heat transfer rate under this condition reduces dramatically. This point is called Critical Heat Flux (CHF), which leads to boiling crisis. The behavior of boiling crisis is dependent on local fluid conditions due to bubble growth and departure. Experiments are the ultimate tool for boiling model development and verification, but they still lack some capabilities needed for better understanding of the local mechanism of this phenomena. It's difficult to capture many important details at the pressure/temperature conditions of interest using experimental techniques, such as full three dimensional measurements of velocity and temperature distribution and estimates of heat flux partitioning during the boiling process. The interface tracking simulation (ITS) is one of the promising approaches to describe heat transfer of boiling phenomena and their underlying mechanisms. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of adiabatic flows. Some work has been done to implement evaporation / condensation models as well. Lee and Nydahl performed a numerical simulation of bubble growth and departure assuming that the bubble has the shape of a truncated sphere and a micro-layer exists during bubble growth. A 2-D cylindrical bubbles simulation has been done by Son with a simplified model to predict the heat flux in a thin liquid micro-layer. A direct simulation of 2D film boiling is conducted by Juric and Tryggvason. The film boiling, below critical pressure with a modified Level Set Method, is studied by Son and Dhir. Ose and Kunugi have developed a boiling and condensation model on subcooled boiling phenomena. Fuchs performed numerical simulations of bubble growth and departure considering wall conduction effects. Fully transient heat and fluid flow is modeled with a free surface of a rising bubble and a periodic calculation of the whole cycling of a growing, detaching, and rising bubble. Mukherjee and Kandikar have done a numerical simulation of an evaporating meniscus on a moving heated surface with level set method. The heat transfer associated with the advancing and receding contact angle has been studied. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate single-bubble growth scenarios. For a single bubble simulation in infinite liquid, the analytical solution exists and can be compared with the numerical results for verification purposes. The presented capabilities will be utilized in the large scale DNS of boiling flows in the future. The finite-element based code, PHASTA is used for the simulation. It is a parallel, hierarchic, higher-order accurate, adaptive, stabilized, transient analysis flow solver, which has been shown to be an effective tool for a wide range of single and two-phase flow problems. It has been shown to be highly scalable on top supercomputers ({approx}85% scaling on up to 3 million mesh partitions using a 92 billion element mesh . PHASTA has been shown to reliably predict the details of adiabatic bubbly flows as well as single-phase flows with heat transfer. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate a single-bubble growth scenario. For a single bubble growth in superheated water, the analytical solution exists and can be compared with the numerical results for verification purposes. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

On the Relationship Between the Brewer-Dobson Circulation and the Southern Annular Mode During Austral Summer in Couple Chemistry-Climate Model Simulations

The Brewer-Dobson circulation (BDC) is the mean transport circulation in the stratosphere. It consists of an upwelling branch in the tropics, poleward flows from the tropics to the extratropics, and downward flows in the extratropics. The BDC plays a crucial role in the distribution of important stratospheric trace gases, such as ozone and water vapor. Therefore changes in the strength of the BDC under global warming could have significant impact on stratospheric ozone depletion and recovery. For example, all climate models that are used by the World Meteorological Organization to predict ozone evolution in the 21 st century project a strengthening of the BDC that leads to ozone superrecovery in the mid-latitudes. On the other hand, ozone changes could also affect the strength of the BDC. This work investigates an outstanding question: whether and how changes in the Brewer-Dobson circulation are connected to climate change in the troposphere, in particular, the annular modes. The annular modes are the leading variability in the extratropical troposphere, which describes a seesaw pattern of circulation fluctuations between the polar and middle latitudes. Using simulations from the Goddard Earth Observing System Coupled Chemistry Climate Model (GEOS CCM), we found the strengthening of the BDC in the summer Southern Hemisphere is strongly correlated with a shift of the Southern Hemisphere Annular Mode (SAM) toward its positive phase for the last 4 decades of the 20th century. This relationship is only present in model runs that simulate the stratospheric ozone depletion. Therefore it is concluded that the BDC-SAM relationship is driven by Antarctic ozone depletion. The ozone hole significantly cools the Antarctic stratosphere in late spring/early summer, which leads to a delayed breakdown of the polar vortex: strong circumpolar eastward flows that usually shift to westward winds in late spring. The prolonged persistence of stratospheric eastward flow enhances upward propagation of tropospheric waves into the stratosphere and strengthens the BDC. The increased wave flux in the stratosphere in turn drives a SAM trend toward its positive phase. Our results also show that the BDC-SAM relationship is robust on the interannual timescale

Li, Feng↗

3-D GRMHD Simulations of Disk-Jet Coupling and Emission

We have performed a fully 3-D GRMHD simulation of jet formation from a thin accretion disk around a Schwarzschild black hole with a free-falling corona. The simulation results show that a bipolar jet is initially created. At later times, the accretion disk becomes thick and the jet fades resulting in a wind that is ejected from the surface of the thickened (torus-like) disk. This evolution of disk-jet coupling suggests that the jet fades with a thickened accretion disk. Recently we have developed two new codes: 3 -D GRMHD: RelAtivIStic magnetoHydrodynamica1 sImulatioN (RAISHIN) code constructed by modern high-resolution shock-capturing (HRSC) techniques and 3-D GRPIC code. We have calculated free-free and synchrotron emission from the disks and jet/outflows obtained from our GRMHD simulations using a fully covariant radiative transfer formulation.

Nishikawa, K.-I.↗

Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate

Under vibrational strong coupling (VSC), the formation of molecular polaritons may significantly modify the photo-induced or thermal properties of molecules. In an effort to understand these intriguing modifications, both experimental and theoretical studies have focused on the ultrafast dynamics of vibrational polaritons. Here, following our recent work [Li et al., J. Chem. Phys. 154, 094124 (2021)], we systematically study the mechanism of polariton relaxation for liquid CO 2 under a weak external pumping. Classical cavity molecular dynamics (CavMD) simulations confirm that polariton relaxation results from the combined effects of (i) cavity loss through the photonic component and (ii) dephasing of the bright-mode component to vibrational dark modes as mediated by intermolecular interactions. The latter polaritonic dephasing rate is proportional to the product of the weight of the bright mode in the polariton wave function and the spectral overlap between the polariton and dark modes. Both these factors are sensitive to parameters such as the Rabi splitting and cavity mode detuning. Compared to a Fermi’s golden rule calculation based on a tight-binding harmonic model, CavMD yields a similar parameter dependence for the upper polariton relaxation lifetime but sometimes a modest disagreement for the lower polariton. We suggest that this disagreement results from polariton-enhanced molecular nonlinear absorption due to molecular anharmonicity, which is not included in our analytical model. Finally, we also summarize recent progress on probing nonreactive VSC dynamics with CavMD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In-flight simulation investigation of rotorcraft pitch-roll cross coupling

An in-flight simulation experiment investigating the handling qualities effects of the pitch-roll cross-coupling characteristic of single-main-rotor helicopters is described. The experiment was conducted using the NASA/Army CH-47B variable stability helicopter with an explicit-model-following control system. The research is an extension of an earlier ground-based investigation conducted on the NASA Ames Research Center's Vertical Motion Simulator. The model developed for the experiment is for an unaugmented helicopter with cross-coupling implemented using physical rotor parameters. The details of converting the model from the simulation to use in flight are described. A frequency-domain comparison of the model and actual aircraft responses showing the fidelity of the in-flight simulation is described. The evaluation task was representative of nap-of-the-Earth maneuvering flight. The results indicate that task demands are important in determining allowable levels of coupling. In addition, on-axis damping characteristics influence the frequency-dependent characteristics of coupling and affect the handling qualities. Pilot technique, in terms of learned control crossfeeds, can improve performance and lower workload for particular types of coupling. The results obtained in flight corroborated the simulation results.

Watson, Douglas C.↗

Assessment of chemo-mechanical impacts of CO 2 sequestration on the caprock formation in Farnsworth oil field, Texas

This study evaluates the chemo-mechanical influence of injected CO 2 on the Morrow B sandstone reservoir and the upper Morrow shale caprock utilizing data from the inverted 5-spot pattern centered on Well 13-10A within the Farnsworth unit (FWU). This study also seeks to evaluate the integrity of the caprock and the long-term CO 2 storage capability of the FWU. The inverted 5-spot pattern was extracted from the field-scale model and tuned with the available field observed data before the modeling work. Two coupled numerical simulation models were utilized to continue the study. First, a coupled hydro-geochemical model was constructed to simulate the dissolution and precipitation of formation minerals by modeling three intra-aqueous and six mineral reactions. In addition, a coupled hydro-geomechanical model was constructed and employed to study the effects of stress changes on the caprock’s porosity, permeability, and ground displacement. The Mohr–Coulomb circle and failure envelope were used to determine caprock failure. In this work, the CO 2 -WAG injection is followed by the historical field-observed strategy. During the forecasting period, a Water Alternating Gas (WAG) injection ratio of 1:3 was utilized with a baseline bottom-hole pressure constraint of 5500 psi for 20 years. A post-injection period of 1000 years was simulated to monitor the CO 2 plume and its effects on the CO 2 storage reservoir and caprock integrity. The simulation results indicated that the impacts of the geochemical reactions on the porosity of the caprock were insignificant as it experienced a decrease of about 0.0003% at the end of the 1000-year post-injection monitoring. On the other hand, the maximum stress-induced porosity change was about a 1.4% increase, resulting in about 4% in permeability change. It was estimated that about 3.3% of the sequestered CO 2 in the formation interacted with the caprock. Despite these petrophysical property alterations and CO 2 interactions in the caprock, the caprock still maintained its elastic properties and was determined to be far from its failure.

04 OIL SHALES AND TAR SANDS↗

Investigation of rotating mode behavior in BWR out-of-phase limit cycle oscillations – Part 1: Reduced order model

Previous neutronic/thermal-hydraulic (TH) coupled numerical simulations using full-core TRACE/PARCS and SIMULATE-3K BWR models have shown evidence of a specific “rotating mode” behavior (steady rotation of the symmetry line, i.e. constant phase shift of approximately 90° between the first two azimuthal modes) in out-of-phase limit cycle oscillations, regardless of initial conditions and even if the first two azimuthal modes have different natural frequencies. This suggests a nonlinear coupling between these modes; otherwise, the phase shift between these modes would change at a constant rate during the limit cycle. The goal of the present work is to gain further insights on the rotating mode behavior using a simplified mathematical model which contains all of the important physics for this application while providing sufficient flexibility and simplicity to allow for in-depth understanding of the underlying phenomena. This was accomplished using a multi-channel, multi-modal reduced-order model, using a modification of the fixed pressure drop boundary condition to simulate channel coupling via the inlet and outlet plena, in order to destabilize the out-of-phase mode over the in-phase mode. Examination of the time-dependent solution of the nonlinear system showed a clear preference for rotating mode behavior in the four-channel model under stand-alone TH conditions and for conditions with weak neutronic feedback. Furthermore, when neutronic feedback was strengthened (i.e., larger reactivity feedback coefficients), the side-to-side mode (stationary symmetry line) was favored instead. Additional analyses using higher-fidelity numerical modeling, as well as a physical explanation for the rotating behavior seen in both sets of analyses, will be provided in a companion paper (“Part 2”).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Modulations of the plasma uniformity by low frequency sources in a large-area dual frequency inductively coupled plasma based on fluid simulations

As the wafer size increases, dual frequency (DF) inductively coupled plasma (ICP) sources have been proposed as an effective method to achieve large-area uniform plasma processing. A two-dimensional (2D) self-consistent fluid model, combined with an electromagnetic module, has been employed to investigate the influence of the low frequency (LF) source on the plasma radial uniformity in an argon DF discharge. When the DF antenna current is fixed at 10 A, the bulk plasma density decreases significantly with the LF due to the less efficient heating, and the best radial uniformity is obtained at 3.39 MHz. As the LF decreases to 2.26 MHz, the plasma density is characterized by an edge-high profile, and meanwhile the maximum of the electron temperature appears below the outer two-turn coil. Moreover, the axial ion flux at 3.39 MHz is rather uniform in the center region except at the radial edge of the substrate, where a higher ion flux is observed. When the inner five-turn coil frequency is fixed at 2.26 MHz, the plasma density profiles shift from edge-high over uniform to center-high as the LF coil current increases from 6 A to 18 A, and the best plasma uniformity is obtained at 14 A. In addition, the maximum of the electron temperature becomes lower with a second peak appears at the radial position of r = 9 cm at 18 A.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗