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DOE OSTI2016

A physics based multiscale modeling of cavitating flows

Here, numerical modeling of cavitating bubbly flows is challenging due to the wide range of characteristic lengths of the physics at play: from micrometers (e.g., bubble nuclei radius) to meters (e.g., propeller diameter or sheet cavity length). To address this, we present here a multiscale approach which integrates a Discrete Singularities Model (DSM) for dispersed microbubbles and a two-phase Navier Stokes solver for the bubbly medium, which includes a level set approach to describe large cavities or gaseous pockets. Inter-scale schemes are used to smoothly bridge the two transitioning subgrid DSM bubbles into larger discretized cavities. This approach is demonstrated on several problems including cavitation inception and vapor core formation in a vortex flow, sheet-to-cloud cavitation over a hydrofoil, cavitation behind a blunt body, and cavitation on a propeller. These examples highlight the capabilities of the developed multiscale model in simulating various form of cavitation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Flavor fragmentation function factorization

A definition of partonic jet flavor that is both theoretically well-defined and experimentally robust would have profound implications for measurements and predictions especially for heavy flavor applications. Recently, a definition of jet flavor was introduced as the net flavor flowing along the direction of the Winner-Take-All axis of a jet which is soft safe to all orders, but not collinear safe. Here, we exploit the lack of collinear safety and propose a factorization theorem of perturbative flavor fragmentation functions that resum collinear divergences and describe the evolution of flavor from the short distance of jet production to the long distance at which hadronization occurs. Collinear flavor evolution is governed by a small modification of the DGLAP equations. We present a detailed all-orders analysis and identify exact relations that must hold amongst the various anomalous dimensions by probability conservation and the existence of fixed points of the renormalization group flow. We explicitly validate the factorization theorem at one-loop order, and demonstrate its consistency at two loops in particular flavor channels. Starting at two-loops, constraints on phase space imposed by flavor measurements potentially allow for non-trivial soft contributions, but we demonstrate that they are scaleless and so explicitly vanish, ensuring that soft particles are summed inclusively and all divergences are exclusively collinear in nature. This factorization theorem opens the door to precision calculations with identified flavor in the infrared.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Self-induced temperature correction for inter-phase heat transfer in Euler-Lagrange point-particle simulation

In a two-way coupled Euler-Lagrange simulation, particles are approximated as point sources and their momentum and energy exchange with the surrounding flow are modeled through point-particle force and heat transfer models. As the particle size increases and approaches the Eulerian grid, the feedback force and heat transfer become large and strongly affect the local flow at the particle location. The fluid velocity and temperature computed in the EL simulation when interpolated to the particle location will be substantially different from the corresponding undisturbed values. In this work we will follow the approach pursued in Balachandar et al. (2018) [1] for self-induced velocity correction to develop an analogous correction procedure for self-induced temperature. We obtain analytical solutions for the self-induced thermal perturbation for a steady uniform cross flow past a Gaussian filtered heat source under both steady and unsteady conditions. The analytical results are extended to finite Peclet number using numerical simulations. The resulting quasi-steady and unsteady models are tested with a simple problem of exponential thermal evolution against the corresponding EL simulation results. We also provide a simple criterion for when the self-induced temperature correction is needed in an Euler-Lagrange simulation.

42 ENGINEERING↗

DOE OSTI2025

Identifying the Growth Phase of Magnetic Reconnection Using Pressure‐Strain Interaction

Abstract Magnetic reconnection often initiates abruptly and then rapidly progresses to a nonlinear quasi‐steady state. While satellites frequently detect reconnection events, ascertaining whether the system has achieved steady‐state or is still evolving in time remains challenging. Here, we propose that the relatively rapid opening of the reconnection separatrices within the electron diffusion region serves as an indicator of the growth phase of reconnection. The opening of the separatrices is produced by electron flows diverging away from the neutral line downstream of the X‐line and flowing around a dipolarization front. This flow pattern leads to characteristic spatial structures in the electron pressure‐strain interaction that could be a useful indicator for the growth phase of a reconnection event. We employ two‐dimensional particle‐in‐cell numerical simulations of anti‐parallel magnetic reconnection to validate this prediction. We find that the signature discussed here, alongside traditional reconnection indicators, can serve as a marker of the growth phase. This signature is potentially accessible using multi‐spacecraft single‐point measurements, such as with NASA's Magnetospheric Multiscale satellites in Earth's magnetotail. Applications to other settings where reconnection occurs are also discussed.

Barbhuiya, M. Hasan [Department of Physics and Ast↗

DOE OSTI2017

Clogging and jamming transitions in periodic obstacle arrays

We numerically examine clogging transitions for bidisperse disks flowing through a two-dimensional periodic obstacle array. Here, we show that clogging is a probabilistic event that occurs through a transition from a homogeneous flowing state to a heterogeneous or phase-separated jammed state where the disks form dense connected clusters. The probability for clogging to occur during a fixed time increases with increasing particle packing and obstacle number. For driving at different angles with respect to the symmetry direction of the obstacle array, we show that certain directions have a higher clogging susceptibility. It is also possible to have a size-specific clogging transition in which one disk size becomes completely immobile while the other disk size continues to flow.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Flavor Fragmentation Function Factorization

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Material point method modeling in oil and gas reservoirs

A computer system and method of simulating the behavior of an oil and gas reservoir including changes in the margins of frangible solids. A system of equations including state equations such as momentum, and conservation laws such as mass conservation and volume fraction continuity, are defined and discretized for at least two phases in a modeled volume, one of which corresponds to frangible material. A material point model technique for numerically solving the system of discretized equations, to derive fluid flow at each of a plurality of mesh nodes in the modeled volume, and the velocity of at each of a plurality of particles representing the frangible material in the modeled volume. A time-splitting technique improves the computational efficiency of the simulation while maintaining accuracy on the deformation scale. The method can be applied to derive accurate upscaled model equations for larger volume scale simulations.

02 PETROLEUM↗

DOE OSTI2016

KINETIC SIMULATION OF SLOW MAGNETOSONIC WAVES AND QUASI-PERIODIC UPFLOWS IN THE SOLAR CORONA

Quasi-periodic disturbances of emission-line parameters are frequently observed in the corona. These disturbances propagate upward along the magnetic field with speeds of ∼100 km s{sup −1}. This phenomenon has been interpreted as evidence of the propagation of slow magnetosonic waves or has been argued to be a signature of intermittent outflows superposed on the background plasmas. Here we aim to present a new “wave + flow” model to interpret these observations. In our scenario, the oscillatory motion is a slow-mode wave, and the flow is associated with a beam created by the wave–particle interaction owing to Landau resonance. With the help of a kinetic model, we simulate the propagation of slow-mode waves and the generation of beam flows. We find that weak periodic beam flows can be generated by to Landau resonance in the solar corona, and the phase with the strongest blueward asymmetry is ahead of that with the strongest blueshift by about 1/4 period. We also find that the slow wave damps to the level of 1/ e after the transit time of two wave periods, owing to Landau damping and Coulomb collisions in our simulation. This damping timescale is similar to that resulting from thermal conduction in the MHD regime. The beam flow is weakened/attenuated with increasing wave period and decreasing wave amplitude since Coulomb collisions become more and more dominant over the wave action. We suggest that this “wave + flow” kinetic model provides an alternative explanation for the observed quasi-periodic propagating perturbations in various parameters in the solar corona.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

The Effect of Electron Flow on Coercivity and Remanence of FePt Nanocomposites Under Heat Treatment

Phase transition to L1{sub 0} for the FePt crystal requires a temperature approximately 600 °C; however, in this temperature, their size control is exceptionally imperative. Two methods of particle size control with unique advantages have been combined. On the SiO{sub 2} wafers, a thin layer of FePT/carbon nanotubes (CNTs) has been coated and post-annealed at 700 °C under electron flux. Results show the Hc and Mr/Ms of FePt/CNT nanocomposites is raised to 0.75 T and 0.9, respectively, and the average size of the FePt nanoparticles (NPs) is about 5 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Validation of Pin Span Superposition to Reconstruct Gridded Bundle Flows

This milestone shows a demonstration of the surface map model to map the surface temperature for single-phase computational fluid dynamics simulation data from STAR-CCM+ to the subchannel code CTF using a two-step process that captures global and local rod surface temperature behavior based on simulation boundary conditions and position. This model can be used to improve results from CTF by transforming surface temperatures obtained from CTF to model data that resembles data from STAR-CCM+. A summary of the current two-step model process and results of the initial investigations with a single subchannel and a 5 x 5 set of fuel rods are shown and discussed within, with suggestions for further improvements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Growing neoclassical tearing modes seeded via transient-induced-multimode interactions

Nonlinear extended magnetohydrodynamics simulations demonstrating seeding of neoclassical tearing modes (NTMs) via magnetohydrodynamics-transient-induced multimode interactions are presented. Simulations of NTMs are enabled by two recent NIMROD code developments: the implementation of heuristic neoclassical stresses and the application of transient magnetic perturbations (MPs) at the boundary. NTMs are driven unstable by the inherently pressure driven kinetic bootstrap current, which arises due to collisional viscosity between passing and trapped electrons. These simulations use heuristic closures that model the neoclassical electron and ion stresses. NTM growth requires a seed island, which is generated by a transiently applied MP in simulations. The capability is demonstrated using kinetic-based reconstructions with flow of a DIII-D ITER Baseline Scenario discharge (La Haye et al., in Proceedings IAEA FEC, 2020). The applied MP seeds a 2/1 NTM that grows in two phases: a slow growth phase followed by a faster robust growth phase. Additionally, an evolving sequence of higher order core modes are excited at first. Power transfer analysis shows that nonlinear interactions between the core modes and the 2/1 helps drive the initial slow growth. Once the induced 2/1 magnetic island reaches a critical width, the NTM transitions to faster robust growth, which is well described by the nonlinear modified Rutherford equation. Furthermore, this work highlights the role of nonlinear mode coupling in seeding NTMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

High Impedance Fault Detection Through Quasi-Static State Estimation: A Parameter Error Modeling Approach

This paper presents a model for detecting high impedance faults using parameter error modeling and a two step per-phase weighted-least squares state estimation process. The proposed scheme leverages the use of Phasor Measurement Units and synthetic measurements to identify per-phase power flow and injection measurements which indicate a parameter error through ?2 Hypothesis Testing applied to the composed measurement error. Although current and voltage waveforms are commonly analyzed for high-impedance fault detection, wide area power flow and injection measurements, which are already inherent to the state estimation process, also show promise for real-world high-impedance fault detection applications. The error distributions after detection share the measurement function error spread observed in proven parameter error diagnostics and can be applied to high-impedance fault identification. Further, this error spread across measurement functions related to the fault will be clearly discerned from measurement error. Case studies are performed on the IEEE 33-Bus Distribution System along with the proposed model in Simulink.

Cooper, Austin↗

DOE OSTI2015

A STRONGLY COUPLED REACTOR CORE ISOLATION COOLING SYSTEM MODEL FOR EXTENDED STATION BLACK-OUT ANALYSES

The reactor core isolation cooling (RCIC) system in a boiling water reactor (BWR) provides makeup cooling water to the reactor pressure vessel (RPV) when the main steam lines are isolated and the normal supply of water to the reactor vessel is lost. The RCIC system operates independently of AC power, service air, or external cooling water systems. The only required external energy source is from the battery to maintain the logic circuits to control the opening and/or closure of valves in the RCIC systems in order to control the RPV water level by shutting down the RCIC pump to avoid overfilling the RPV and flooding the steam line to the RCIC turbine. It is generally considered in almost all the existing station black-out accidents (SBO) analyses that loss of the DC power would result in overfilling the steam line and allowing liquid water to flow into the RCIC turbine, where it is assumed that the turbine would then be disabled. This behavior, however, was not observed in the Fukushima Daiichi accidents, where the Unit 2 RCIC functioned without DC power for nearly three days. Therefore, more detailed mechanistic models for RCIC system components are needed to understand the extended SBO for BWRs. As part of the effort to develop the next generation reactor system safety analysis code RELAP-7, we have developed a strongly coupled RCIC system model, which consists of a turbine model, a pump model, a check valve model, a wet well model, and their coupling models. Unlike the traditional SBO simulations where mass flow rates are typically given in the input file through time dependent functions, the real mass flow rates through the turbine and the pump loops in our model are dynamically calculated according to conservation laws and turbine/pump operation curves. A simplified SBO demonstration RELAP-7 model with this RCIC model has been successfully developed. The demonstration model includes the major components for the primary system of a BWR, as well as the safety system components such as the safety relief valve (SRV), the RCIC system, the wet well, and the dry well. The results show reasonable system behaviors while exhibiting rich dynamics such as variable flow rates through RCIC turbine and pump during the SBO transient. The model has the potential to resolve the Fukushima RCIC mystery after adding the off-design two-phase turbine operation model and other additional improvements.

RCIC↗

DOE OSTI2017

Eccentric needle motion effect on near-nozzle dynamics of diesel spray

Here, the eccentric needle motion has been regarded as an important cause of in-nozzle flow disturbances and hole-to-hole spray variations of modern fuel injectors. However, the experimental investigations on this subject have rarely been reported due to great difficulties in the direct measurements of eccentric needle motion and the flow characteristics of individual holes in an injection nozzle. In this study, the axial and eccentric needle motion and the ear-nozzle spray dynamics of 3-hole, 5-hole and 8-hole diesel injection nozzles were investigated in varied injection pressure conditions using an xray phase-contrast imaging technique. The eccentric needle motion and near-nozzle spray axial velocity showed temporal oscillations during the injection with different oscillation frequencies. The frequencies of these two oscillations were independent to the nozzle and injection pressure. To discuss the mutual dependency of these two oscillations, the time traces of the spray axial velocity were measured for individual holes. The results showed that the oscillation phase, frequency and amplitude of the spray axial velocity were almost identical for all holes, which indicated that the sac pressure variation rather than hole-to-hole flow variation can be the primary cause of the spray axial velocity oscillation by the eccentric needle motion. The adequacy of this consideration was thoroughly discussed using a mass balance model in the nozzle sac that predicted the sac pressure variation during an injection event.

42 ENGINEERING↗

DOE OSTI2023

Crystallographic Study of Product Phases of Carbothermic Reduction and Nitridation of Hafnium Dioxide

Details of the carbothermic reduction/nitridation to synthesize hafnium nitride (HfN) and hafnium carbide (HfC) are scarce in the literature. Therefore, this current study was carried out to evaluate two pathways for synthesizing these two refractory materials: direct nitridation and carbothermic reduction/nitridation. Two mixtures of hafnium dioxide and carbon with C/HfO 2 molar ratios of 2.15 and 3.1 were nitridized directly using flowing nitrogen gas at elevated temperatures (1300–1700 °C). The 3.1 C/HfO 2 molar ratio mixture was also carbothermically reduced under flowing argon gas to synthesize HfC, which was converted into HfN by introducing a nitridation step under both N 2(g ) and N 2(g) -10% H 2(g) . X-ray diffraction results showed the formation of HfN at 1300 and 1400 °C and HfC 1–y N y at ≥1400 °C under direct nitridation of samples using a C/HfO 2 molar ratio of 2.15. These phase analysis data together with lower lattice strain and greater crystallite sizes of HfC 1–y N y that formed at higher temperatures suggested that the HfC 1–y N y phase is preferred over HfN at those temperatures. Carbothermic reduction of 3.1 C/HfO 2 molar ratio samples under an inert atmosphere produced single-phased HfC with no significant levels of dissolved oxygen. In conclusion, carbothermic reduction nitridation made two phases of different carbon levels (HfC 1–y N y and HfC 1–y 'N y ', where y' < y), while direct nitridation produced a single HfC 1–y N y phase under both N 2 and N 2 -10% H 2 cover gas environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Regulatory Compliance Strategy For Recovery-Driven Underground Ventilation System Changes - 16355

The Waste Isolation Pilot Plant (WIPP) facility is managed and operated by Nuclear Waste Partnership LLC (NWP) for the U.S Department of Energy (DOE). On February 14, 2014, a radiological event occurred in the WIPP facility underground repository, which resulted in the release of transuranic isotopes contaminating a portion of the underground primarily along the ventilation path from Panel 7, the location of the incident. The release was initially detected by an underground continuous air monitor (CAM) which caused an automatic switch of the ventilation system to filtration mode and ventilation was directed through high-efficiency particulate air (HEPA) filtration banks located in the surface exhaust building. When the HEPA filtration was engaged, the underground normal ventilation was reduced from 425,000 standard cubic feet per minute (scfm) to 60,000 scfm. Since the event, all exhaust air is filtered through HEPA filters at 60,000 scfm to minimize the possibility of exposure to workers, the public and the environment. Ventilation of fresh air to the WIPP underground is a primary limitation to performing underground recovery activities; therefore, recovery-driven ventilation changes are needed. The safe recovery of the WIPP facility and resumption of normal waste emplacement activities require an increase in ventilation capacity to be accomplished in three phases: 1) Interim Ventilation System, 2) Supplemental Ventilation System and 3) Permanent Ventilation System. Each phase adds increased air flow to the underground and allows for underground activities to be performed concurrently. The regulatory strategy for ventilation recovery focuses on ensuring that needed changes to the WIPP facility are protective of human health and the environment. Recovery-driven ventilation changes are implemented using the procedures, processes, and regulations that are required by the two primary regulatory agencies for the WIPP facility: the U.S. Environmental Protection Agency (EPA) and the New Mexico Environment Department (NMED) as well as DOE requirements. Regulatory compliance is being achieved for the three ventilation phases to restore underground ventilation by providing the regulators and stakeholders opportunities for involvement during the design and development processes. A strategy for a tiered NMED permitting process and a plan for developing required EPA documentation are under consideration. The Project's objective is to resume normal waste emplacement activities with safety, protection of the public, the worker and the environment as the highest priorities. Important elements of ensuring that WIPP facility recovery and future waste emplacement activities occur as planned are transparency and communication with the regulatory community. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Multiphase Large Eddy Simulation of a Pulsed Sieve-Plate Extraction Column - 18125

Presented here is research resulting from a framework of single-phase and multiphase modelling trials. These are intended to accurately simulate the internal flow phenomena arising in pulsed sieve-plate extraction columns representative of those found in industry. Three-dimensional unsteady flow calculations using large eddy simulation coupled with dynamic sub-grid scale modelling have been used to capture the transient effects of sinusoidal flow conditions using the open source CFD code OpenFOAM{sup R}. Multiphase interface interactions are modelled using the volume of fluid method with appropriate heavy and light phase fluidic properties capturing surface tension, density and viscous effects. The system studied consists of a 150 mm diameter column with two perforated plates with a fractional free area of 25 %, operational under 1 Hz pulsing frequency at a 50 mm amplitude and plate spacing of 300 mm. The materials simulated include water (single-phase) and 3 M nitric acid and dodecane / tributyl phosphate mixture at 30 vol% (multiphase). Results are compared with appropriate correlations from literature. The dispersive mixing efficiency of the system was also evaluated via a mixing index value which allows quantification of the ratio of rotational and irrotational flow components. This study has found that the predictive methods employed are effective at capturing the different scales of turbulence present within pulsed sieve-plate extraction columns, and its influence on their operation. As such, the work highlights the ability of large eddy simulation-based modelling to predict the complex flows in such column geometries. Furthermore, the techniques employed provide valuable insight into the hydrodynamic flow characteristics and mixing mechanisms arising within pulsed sieve-plate extraction columns. (authors)

42 ENGINEERING↗

DOE OSTI2015

CTF Void Drift Validation Study

This milestone report is a summary of work performed in support of expansion of the validation and verification (V&V) matrix for the thermal-hydraulic subchannel code, CTF. The focus of this study is on validating the void drift modeling capabilities of CTF and verifying the supporting models that impact the void drift phenomenon. CTF uses a simple turbulent-diffusion approximation to model lateral cross-flow due to turbulent mixing and void drift. The void drift component of the model is based on the Lahey and Moody model. The models are a function of two-phase mass, momentum, and energy distribution in the system; therefore, it is necessary to correctly model the ow distribution in rod bundle geometry as a first step to correctly calculating the void distribution due to void drift.

97 MATHEMATICS AND COMPUTING↗