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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 19 records

A Conservative Finite-Volume Based Interface-Tracking Algorithm Using the Signed Distance Function

Methods for tracking an interface between two fluid phases are developed to ensure desired fluid properties, conservation, and stability are preserved in a finitevolume (FV) discretization. Here, the interface is tracked using a level set method where the signed distance function implicitly defines the interface. Marching methods are used to evaluate the value of the signed distance function, including a novel initialization method to initialize any implicit function to the signed distance function around sharp corners in the level set. Global conservation and consistency with a set of governing equations is enforced by a compression coefficient that measures the volumetric compression or expansion due to inaccuracies in the level set evaluation. A redistribution method is integrated into the volume correction to eliminate the small-cell instability while maintaining global conservation. This suite of methods is implemented and tested using static uniform velocity, and potential flow cases with multiple interface geometries. Results show these methods achieve up to second order accuracy, and are conservative. The application for these methods is intended to track the interface of a 3D printing filament in a finite-volume discretization of the all-speed Navier-Stokes equations.

42 ENGINEERING↗

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗

Multilayer interface tracking model of pure tungsten oxidation

Here, we present a numerical model to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures. The model captures the formation of four thermodynamically-compatible oxide sublayers, WO 2 , WO 2.72 , WO 2.9 , and WO 3 , on top of the metal substrate. Oxide layer growth is simulated by tracking the oxide/oxide and oxide/metal interfaces using a sharp-interface Stefan model coupled to diffusion kinetics. The model is parameterized using selected experimental measurements and electronic structure calculations of the diffusivities of all the oxide subphases involved. We simulate oxide growth at temperatures of 600°C and above, extracting the power law growth exponents in each case, which we find to deviate from classical parabolic growth in several cases. We conduct a comparison of the model predictions with an extensive experimental data set, with reasonable agreement at most temperatures. While many gaps in our understanding still exist, this work is a first attempt at embedding the thermodynamic and kinetic complexity of tungsten oxide growth into a comprehensive mesoscale kinetic model that attempts to capture the essential features of tungsten oxidation to fill existing knowledge gaps and guide and enhance future tungsten oxidation models.

36 MATERIALS SCIENCE↗

Examination of Haines Jump in Microfluidic Experiments via Evolution Graphs and Interface Tracking

This work examines a type of rapid pore-filling event in multiphase flow through permeable media that is better known as Haines Jump. While existing microfluidic experiments on Haines Jump mostly seek to maintain quasi-steady states through very low bulk flow rates over long periods of time, this work explores the combined use of a highly structured microscale transport network, high-speed fluorescent microscopy, displacement front segmentation algorithms, and a tracking algorithm to build evolution graphs that track displacement fronts as they evolve through high-speed video recording. The resulting evolution graph allows the segmentation of a high-speed recording in both space and time, potentially facilitating topology-cognitive computation on the transport network. Occurrences of Haines Jump are identified in the microfluidic displacement experiments and their significance in bulk flow rates is qualitatively analyzed. The bulk flow rate has little effect on the significance of Haines Jump during merging and splitting, but large bulk flow rates may obscure small bursts at the narrowest part of the throat.

permeable media↗

Interface-Resolved Simulations of Reactor Flows

The presented review paper outlines the recent progress of the high-resolution single- and two-phase flow simulations of reactor-relevant flows. Rapid development of high-performance computing capabilities is creating exciting opportunities to study complex reactor thermal hydraulic phenomena. Today’s advances in thermal hydraulic analysis, machine learning techniques and interface resolved simulations will help pave the way to the next level of understanding of two-phase flow behavior in complex geometries. This paper consists of two major parts: (i) history and review of interface tracking simulations for nuclear thermal hydraulics in recent years and (ii) several opportunities to apply those advanced tools in the future. First part will discuss typical computational methods used for those simulations, provide some examples of the past work, as well as computational cost estimates and affordability of such simulations for research and industrial applications. In the second part some specific examples are discussed which could be analyzed using exascale supercomputers being designed and projected to be online in the early 2020s. New generation methodologies are required in order to take full advantage of those capabilities to greatly enhance the scientific understanding of complex two-phase flow phenomena in nuclear reactors under normal operation and postulated accident conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulation scaling studies of reactor core two-phase flow using direct numerical simulation

Tremendous growth in supercomputing power in recent years has resulted in the emergence of high-resolution flow analysis methods as an advanced research tool to evaluate single and two-phase flow behavior. In particular, unstructured mesh-based methods have been applied to analyze flows in complex reactor core geometries, including those of light water reactors (LWR). The finite-element based code, PHASTA, is utilized to perform large-scale simulations of two-phase bubbly flows in LWR geometries. Given the large computational cost of direct numerical simulation (DNS) coupled with interface tracking methods (ITM), typical domains encompass a portion of a single subchannel. In the presented research, the state-of-the-art analysis of turbulent two-phase flows in complex LWR subchannel geometries are demonstrated at both prototypical reactor parameters as well as scaled low pressure conditions. Three different cases are studied, a high-pressure simulation in prototypical reactor subchannel geometry, a low-pressure case in prototypical geometry and a final low-pressure case in a geometry scaled up to conserve the ratio between the bubble size and the domain pitch. Utilizing advanced statistical processing tools, these simulation conditions are compared to shed light on the relevancy of two-phase flow characteristics given the significant differences between LWR and low-pressure conditions. These findings can lead to the generation of useful guiding principles when researchers need to scale the two-phase flow behavior captured at low pressure and temperature conditions to those at reactor operating conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

LaPT (Lab Process Tracker) [SWR-26-048]

LaPT (Lab Process Tracker) is a QR/barcode scanning infrastructure for tracking samples and processes. It is a tracking application for lab operations with a graphical user interface. Track processes and sample scans using QR code input, with logs saved to CSV files.

Daxini, Rajiv [National Laboratory of the Rockies ↗

Population balance modeling of polyurethane foam formation with pressure‐dependent growth kernel

Abstract Polyurethane foams are widely used materials often chosen for their useful characteristics such as low thermal conductivity, ease of application, and high strength‐to‐weight ratios. Computational models are needed to predict the dynamics of the flow and expansion, and the resulting material properties, to improve manufacturing processes. In this paper, a model for PMDI, a water‐blown polyurethane foam, is presented. By extending a kinetics‐based approach by adding bubble‐scale information via a population balance equation (PBE) using the quadrature method of moments, we can track bubble size distributions during foaming. We present results from a three‐dimensional computational fluid dynamics model using arbitrary Lagrangian–Eulerian interface tracking implemented in finite element software. The model compares favorably with experimental data, including dynamics, bubble distributions measured by both camera and diffusion wave spectroscopy, and post‐test bubble size from scanning electron microscopy and density measurements from x‐ray computed tomography.

Ortiz, Weston↗

Numerical Simulation of the Three-Phase Flow of a Bubble Interacting with the Steel–Slag Interface During the Secondary Refining Process

Gas stirring is an effective method for the secondary refining process of steel. The microphenomena among the phases of an argon bubble floating in steel and motion across the steel–slag interface were simulated and discussed with a sharp interface tracking method. A water-model experiment was set to validate the numerical model, and the experimental results showed agreement with the numerical model. A critical size for bubbles to pass the interface was found using the model.

36 MATERIALS SCIENCE↗

A Thermo‐Flow‐Mechanics‐Fracture Model Coupling a Phase‐Field Interface Approach and Thermo‐Fluid‐Structure Interaction

This work proposes a novel approach for coupling non-isothermal fluid dynamics with fracture mechanics to capture thermal effects within fluid-filled fractures accurately. This method addresses critical aspects of calculating fracture width in enhanced geothermal systems, where the temperature effects of fractures are crucial. The proposed algorithm features an iterative coupling between an interface-capturing phase-field fracture method and interface-tracking thermo-fluid-structure interaction using arbitrary Lagrangian–Eulerian coordinates. We use a phase-field approach to represent fractures and reconstruct the geometry to frame a thermo-fluid-structure interaction problem, resulting in pressure and temperature fields that drive fracture propagation. We developed a novel phase-field interface model accounting for thermal effects, enabling the coupling of quantities specific to the fluid-filled fracture with the phase-field model through the interface between the fracture and the intact solid domain. We provide several numerical examples to demonstrate the capabilities of the proposed algorithm. In particular, we analyze mesh convergence of our phase-field interface model, investigate the effects of temperature on crack width and volume in a static regime, and highlight the method's potential for modeling slowly propagating fractures.

fracture↗

Competing mechanisms at vibrated interfaces of density-contrast fluids

Fluid-fluid interfacial instability and subsequent fluid mixing are ubiquitous in nature and engineering. The hydrodynamic instability of fluid interfaces has long centered on the pressure gradient-driven long-wavelength Rayleigh-Taylor instability and the resonance-induced short-wavelength Faraday instability. However, neither instability alone can explain the dynamics when both mechanisms are present. We identify a previously unseen multi-modal instability emerging from their coexistence. When the denser fluid is polydimethylsiloxane, the mixed region at a high density contrast (Atwood number = 0.9) spans a vibration amplitude range approximately twice the gravitational acceleration. Using Floquet stability analysis, we show how vibrations govern transitions between the RT and Faraday instabilities, leading to contention between these instabilities rather than resonant enhancement. Here, the initial transient growth is represented by the exponential modal growth of the most unstable Floquet exponent, along with its accompanying periodic behavior. Direct numerical simulations validate these findings and track interface breakup into the multiscale and nonlinear regimes. Specifically, we show that growing RT modes nonlinearly suppresses Faraday responses even when the initial growth rate of the Faraday instability is 3.63 times that of RT, so a bidirectional competition hinders their sustained coexistence.

Direct numerical simulations↗

CFD simulations of electric motor end ring cooling for improved thermal management

Proper thermal management of an electric motor for vehicle applications extends its operating range. One cooling approach is to impinge Automatic Transmission Fluid (ATF) onto the rotor end ring. Increased ATF coverage correlates to enhanced heat transfer. Computational Fluid Dynamics (CFD) analytical tools provide a mechanism to assess motor thermal management prior to hardware fabrication. The complexity of the fluid flow (e.g., jet atomization, interface tracking, wall impingement) and heat transfer makes these simulations challenging. Computational costs are high when solving these flows on high-speed rotating meshes. Typically, a Volume-of Fluid (VOF) technique (i.e., two-fluid system) is used to resolve ATF dynamics within this rotating framework. Suitable numerical resolution of the relevant physics for thin films under strong inertial forces at high rotor speeds is computationally expensive, further increasing the run times. In this work, a numerical study of rotor-ring cooling by ATF is presented using a patent automated Cartesian cut-cell based method coupled with Automatic Mesh Refinement (AMR). This approach automatically creates the Cartesian mesh on-the-fly and can effectively handle complex rotating geometries by adaptively refining the mesh based on local gradients in the flow field which results in better resolution of the air-ATF interface. A Single non-inertial Reference Frame (SRF) approach is used to account for the rotating geometry and to further improve the overall computational efficiency. Quasi-steady state conditions are targeted in the analysis of the results. Important physics such as ATF jet structure, velocity detail near the air-jet interface, ATF coverage/accumulation on the ring surface, and cooling capacity are presented for a low-resolution Reynolds averaged Navier-Stokes (RANS), high-resolution RANS, and high-resolution Large-Eddy Simulation (LES) models. Computations are scaled over hundreds of cores on a supercomputer to maximize turnaround time. Each numerical approach is shown to capture the general trajectory of the oil jet prior to surface impingement. The high-resolution LES simulation, however, is superior in capturing small scale details and heat transfer between the free jet and surrounding air.

42 ENGINEERING↗

Non-Diffusive Volume Advection with A High Order Interface Reconstruction Method

We show that non-diffusive volume advection in two-dimensions is achieved with several benchmark problems using a newly developed high-order volume of fluids (VOF) interface reconstruction method. (1) A new VOF interface reconstruction method using circular/corner facets (linear facets are a degenerate case of arcs). We create a circular interface facet in each mixed zone by matching neighbor volume with a hybrid Newton’s-bisection method and the local solution is final. In the general case, the new VOF interface reconstruction has 3rd order accuracy and can be easily made seamless. The new method addresses intrinsic issues with Young’s method such as gaps between interface facets in the case of a curved interface, and inability to define curvature nor identify corners. (2) A non-diffusive volume advection scheme. In an ALE advection step, a well-defined interface can be carried over through a Lagrange step and used to compute volume distribution into a relaxed mesh. Then, an interface reconstruction step is performed to redefine the interface in the relaxed mesh. We must point out that the interface carried over is also a solution of interface reconstruction because all the volume fractions in the relaxed mesh are naturally matched. We provide an interface tracking method compatible with our reconstruction scheme, where it is granted to use the prior info as an initial guess to capture sub-mesh resolution features. As a result, we are able to treat multiple facets inside a single mixed cell and obtain highly accurate, non-diffusive solution for advection problems with rather coarse meshes. We show our solutions for two-dimensional incompressible flows with two materials with a) the X + O diagonal translation; b) the Zalesak rotational test; and c) the single vortex spiral test.

97 MATHEMATICS AND COMPUTING↗

A mineral precipitation model based on the volume of fluid method

A novel volume of fluid method is presented for mineral precipitation coupled with fluid flow and reactive transport. The approach describes the fluid-solid interface as a smooth transitional region, which is designed to provide the same precipitation rate and viscous drag force as a sharp interface. Specifically, the governing equation of mineral precipitation is discretized by an upwind scheme, and a rigorous effective viscosity model is derived around the interface. The model is validated against analytical solutions for mineral precipitation in channel and ring-shaped structures. It also compares well with interface tracking simulations of advection-diffusion-reaction problems. Here, the methodology is finally employed to model mineral precipitation in fracture networks, which is challenging due to the low porosity and complex geometry. Compared to other approaches, the proposed model has a concise algorithm and contains no free parameters. In the modeling, only the pore space requires meshing, which improves the computational effciency especially for low-porosity media.

58 GEOSCIENCES↗

Pore‐Scale Modeling of Reactive Transport with Coupled Mineral Dissolution and Precipitation

Abstract We present a new pore‐scale model for multicomponent advective‐diffusive transport with coupled mineral dissolution and precipitation. Both dissolution and precipitation are captured simultaneously by introducing a phase transformation vector field representing the direction and magnitude of the overall phase change. An effective viscosity model is adopted in simulating fluid flow during mineral dissolution‐precipitation that can accurately capture the velocity field without introducing any empirical parameters. The proposed approach is validated against analytical solutions and interface tracking simulations in simplified structures. After validation, the proposed approach is employed in modeling realistic rocks where mineral dissolution and precipitation are dominant at different locations. We have identified three regimes for mineral dissolution‐precipitation coupling: (a) compact dissolution‐precipitation where dissolution is dominant near the inlet and precipitation is dominant near the outlet, (b) wormhole dissolution with clustered precipitation where dissolution generates wormholes in the main flow paths and precipitation clogs the secondary flow paths, and (c) dissolution dominant where all solid grains are gradually dissolved. In the three regimes, the proposed approach provides reliable porosity‐permeability relationships that cannot be described well by traditional macroscale models. We find that the permeability can increase while the overall porosity decreases when the main flow paths are expanded by dissolution and adjacent pore spaces are clogged by precipitation.

58 GEOSCIENCES↗