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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Numerical simulation of frost formation and heat transfer on fin-and-tube heat exchangers in turbulent cross-flow

Frost formation in fin-and-tube heat exchangers in turbulent cross-flow presents significant challenges in industrial refrigeration applications, affecting heat transfer efficiency and operational reliability. The purpose of this work is to investigate frost deposition and growth on a staggered bank of a fin-and-tube freezer coil under turbulent forced convection conditions. The focus here is on investigating conditions that closely replicate real-world scenarios in large walk-in industrial freezers. Using a direct numerical simulation approach, we examine the flow dynamics and thermal behaviour in the presence of frost, considering turbulent regimes characterized by a Reynolds number in the range 1050 ≤ R e D , avg ≤ 4800 , with the characteristic length being the outer diameter of the tube and the velocity being the bulk fluid velocity between the plates (fins). Computational fluid dynamics simulations are employed to resolve the interactions between turbulent airflow and the frost layer. Our approach incorporates a modified immersed boundary method and a slow-time acceleration technique to address the complex dynamic interface between the continuously evolving frost layer and the flowing air stream. Our findings indicate that frost forms more on the sides of the finned surfaces (plates) and less on the tubes themselves. This article is part of the theme issue ‘Heat and mass transfer in frost and ice’.

Science & Technology - Other Topics↗
DOE OSTI2025

High-Fidelity CFD Simulation of Mixed Convection and Forced Convection in a Pebble Bed Test Reactor Core

The Hermes low-power [35-MW(thermal)] reactor will be built and operated by Kairos Power LLC (KP) to demonstrate its fluoride salt-cooled high-temperature reactor (FHR) technology. In the KP FHR, the reactor core is composed of randomly packed pebbles with TRISO fuel particles inside with FLiBe flow upward through the core acting as a coolant. Previous numerical and experimental studies have been limited to either a small-size bed or to a lack of detailed measurements for heat transfer. Here, to address the lack of high-fidelity heat transfer data in a real-size FHR core, in this study, we simulated a pebble bed core with 34 374 pebbles randomly packed, similar to the Hermes reactor's size. The core radius was 14 times that of the pebble diameter, while the core height was 45 times. In this work, we were particularly interested in a mixed convection regime, where buoyancy is important. Therefore, we performed several large-eddy simulations at different Reynolds numbers (160 to 1000) with gravitational force included. The spectral element computational fluid dynamics code NekRS with graphics processing unit acceleration was used for this study. The low-Mach number approximation was applied to address property changes in the FLiBe and to account for buoyancy. A pure hexahedral mesh with 60 million elements was generated by the Voronoi cell method. At the polynomial order of 5, the total degrees of freedom was 7.5 billion. The developed case in this work is the first of its kind in terms of size and complexity. The local numerical data across the domain were obtained and compared with empirical correlations. After examining the data, we found the following conclusions. For pressure drop, the Reger correlation predicted less than a 5% error. On the other hand, for heat transfer, the Wakao correlation outperformed the others. Based on our findings, we recommend the use of the Wakao correlation for the Nusselt number calculation, and for pressure drop, the KTA (Kerntechnischer Ausschuss) correclation, among the available experimental correlations. In conclusion, the Reger direct numerical simulation-driven correlation for pressure drops should also be considered, given its best agreement with our calculations.

Mixed Convection↗
DOE OSTI2022

aphBO-2GP-3B: a budgeted asynchronous parallel multi-acquisition functions for constrained Bayesian optimization on high-performing computing architecture

High-fidelity complex engineering simulations are often predictive, but also computationally expensive and often require substantial computational efforts. The mitigation of computational burden is usually enabled through parallelism in high-performance cluster (HPC) architecture. Optimization problems associated with these applications is a challenging problem due to the high computational cost of the high-fidelity simulations. In this paper, an asynchronous parallel constrained Bayesian optimization method is proposed to efficiently solve the computationally expensive simulation-based optimization problems on the HPC platform, with a budgeted computational resource, where the maximum number of simulations is a constant. The advantage of this method are three-fold. Firstly, the efficiency of the Bayesian optimization is improved, where multiple input locations are evaluated parallel in an asynchronous manner to accelerate the optimization convergence with respect to physical runtime. This efficiency feature is further improved so that when each of the inputs is finished, another input is queried without waiting for the whole batch to complete. Second, the proposed method can handle both known and unknown constraints. Third, the proposed method samples several acquisition functions based on their rewards using a modified GP-Hedge scheme. The proposed framework is termed aphBO-2GP-3B, which means asynchronous parallel hedge Bayesian optimization with two Gaussian processes and three batches. The numerical performance of the proposed framework aphBO-2GP-3B is comprehensively benchmarked using 16 numerical examples, compared against other 6 parallel Bayesian optimization variants and 1 parallel Monte Carlo as a baseline, and demonstrated using two real-world high-fidelity expensive industrial applications. The first engineering application is based on finite element analysis (FEA) and the second one is based on computational fluid dynamics (CFD) simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Updated Thermofluid Performance of the Simplified Flat Variant of the HEMJ

Our group has recently developed and studied “finger”-type divertors that are a simplified version of the helium-cooled modular divertor with multiple jets (HEMJ) using coupled computational fluid dynamics and thermal stress simulations. Such a simplified geometry could reduce complexity and cost given the large number of fingers required to cover the total divertor target area. Previous experimental studies for this simplified flat design reported lower heat transfer coefficients and higher pressure drops than the HEMJ, contrary to numerical predictions. Subsequent measurements determined that the original test section had significant dimensional variations in the jet exit holes. A new test section was therefore manufactured and tested in the Georgia Tech (GT) helium loop. The experimental results presented here for this test section at maximum heat flux of 7.1 MW/m 2 are in good agreement with numerical predictions. Correlations developed from these experimental data are extrapolated to predict the maximum heat flux that can be accommodated by the flat design and the coolant pumping power requirements under prototypical conditions. Lastly, numerical simulations are used to estimate the sensitivity of the flat design to geometric variations typical of manufacturing tolerances and variations in the gap width.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Liquid Piston with Spray Cooling Near-Isothermal Compressor

The goal of this project was to prototype and characterize the performance of a liquid-piston spray-cooled gas compressor. The working principle of the compressor enables optimized high-efficiency operation over a very wide range of operating conditions, unlike conventional compressors that are optimized for a narrow range of operating conditions. The compressor technology is suitable for many applications, such as gas pipeline transport, gas storage, and commercial and residential heat pumps. Both physical testing and computational fluid dynamics (CFD) modeling of the processes using the Oak Ridge National Laboratory high-performance computing center were completed. The experimental and CFD studies focused on a near-isothermal liquid-piston compressor (LPC) that uses propylene glycol to compress CO 2 . The first prototype demonstrated isothermal operation during several sequentially executed cycles of CO 2 compression and raised the temperature of the compressed CO 2 by only 2 K, compared with approximately 6 K when the gas was compressed non-isothermally. Isothermal operation was demonstrated at CO 2 flow rates of up to 2 L/min. The second prototype was designed with two compression chambers to allow continuous flow of high-pressure CO 2 . However, the design of the valve train to direct flow between the compression chambers was not sufficient to allow demonstration of CO 2 compression. Numerical simulations of the LPC in which the compression chamber was filled with propylene glycol injected from the bottom inlet were performed using large eddy simulation (LES) with the wall-adapting local eddy-viscosity subgrid-scale model coupled with the multiphase volume of fluid (VOF) model to simulate the transient interface between gas and liquid and to capture the heat and mass transfers within the compression chamber. In this effort, the effects of boundary conditions applied to the LES-VOF calculations (i.e., no wall, an adiabatic wall, and a wall with a heat flux subscribed) on the overall pressure and temperature of the CO 2 gas as well as the transient evolution of flow and heat transfer within the compression chamber were investigated and are discussed in this report. The LES calculation with no wall showed no dynamical flow patterns, and the volume-averaged temperature of CO 2 increased from 305 to 392.7 K, whereas LES calculations with a constant wall temperature or a wall heat flux had similar increases of CO 2 temperatures. The results of the LES simulation using a wall heat flux showed different stages in the compression process and revealed dynamical formation and interaction of CO 2 gas layers and circulation flow patterns within the chamber that contributed to the overall heat transfer between the solid wall, gas, and liquid surface in the compressor. Though an industrial partnership for commercializing the compressor was not secured, the technology was attractive for an industrial partner to use in two research proposals in response to US Department of Energy funding opportunity announcements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Investigation of inter-subject variation in ultrafine particle deposition across human nasal airways: A study involving children, adults, and the elderly

Occupational and environmental exposure to toxic nanoparticles, driven by the rapid expansion of nanotechnology, raises significant respiratory health concern. Numerous studies have explored airflow and particle dynamics in adult nasal airways, but understanding the impact of age-related anatomical changes in children and the elderly remains limited. This study systematically investigates age-related anatomical variations and associated influence on nasal airflow dynamics and ultrafine particle deposition characteristics. Using Computational Fluid-Particle Dynamics (CFPD) method, simulation was conducted under diverse inhalation conditions spanning a wide age range, including: two children (5 years old), two young adults (in their twenties), and two elderly (over 77 years old). Our results reveal distinctive variations across age groups in anatomical dimensions, which affect distribution of wall shear stress where the elderly and children display unique patterns distinct from the young adults. While total deposition efficiency differs significantly between children and adults, filtration efficiency in the subregion with most deposition, main respiratory, remains consistent. However, inter-subject differences are observed in the vestibular and olfactory regions,emphasizing nuanced impact of age-related anatomical variations. Overall and subregional empirical equations for deposition efficiency were developed by incorporating the combined diffusion parameter, Sc a Δ b , corroborating the use of geometrical characteristic parameters for each specific subject in predicting nasal deposition efficiency across age groups. Our findings contribute to predictive nanoparticle exposure analysis in nasal airways across different age groups, thereby enhancing respiratory healthcare for individuals across the life span.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Thermal Stress Modeling and Analysis of Packed-bed Thermocline Energy Storage Tank for INL Thermal Energy Distribution System (TEDS)

The Thermal Energy Distribution System (TEDS) at Idaho National Laboratory (INL) is a thermal-hydraulic flow loop to support the integration of co-located multiple experimental systems, where a packed-bed thermal energy storage (TES) is installed as a thermal buffer and storage unit for TEDS. The packed-bed TES is adopted in TEDS because of its benefit as a low-cost single-tank storage option compared to the traditional two-tank storage. However, thermal ratcheting is one potential design concern which is caused by the rearrangement of granular filler inside a packed-bed tank during continuous thermal cycling operation of the packed-bed TES tank. If the thermally induced stress exceeds yield strength of the tank wall, it may cause catastrophic consequences like rupture of the thermal storage tank. Thus, it is crucial to understand the phenomenon to ensure the robust operation. Based on the temperature boundary conditions given by transient thermal analyses with computational fluid dynamics (CFD) simulations, the thermal ratcheting analysis is then conducted to evaluate the hoop stress and resultant thermal ratcheting potential of the TES tanks with two different modeling approaches: (1) infinite rigidity model and (2) Drucker-Prager (DP) model. The validity of each modeling method was examined by comparing the numerical simulation with the experimental data obtained from the packed-bed TES tank for Solar One Plant and evaluate the thermal ratcheting potential of the TEDS TES tank.

25 ENERGY STORAGE↗
DOE OSTI2023

Exascale Multiphysics Nuclear Reactor Simulations for Advanced Designs

ENRICO is a coupled application developed under the U.S. Department of Energy's Exascale Computing Project (ECP) targeting the modeling of advanced nuclear reactors. It couples radiation transport with heat and fluid simulation, including the high-fidelity, highresolution Monte-Carlo code Shift and the Computational fluid dynamics code NekRS. NekRS is a highly-performant open-source code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on rapidly convergent high-order spectral element discretizations that feature minimal numerical dissipation and dispersion. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fast OCCA-based kernel library, libParanumal, to provide scalability and portability across the spectrum of current and future high-performance computing platforms. On Frontier, Nek5000/RS has recently achieved an unprecedented milestone in breaching over 1 billion spectral elements and 350 billion degrees of freedom. Shift has demonstrated the capability to transport upwards of 1 billion particles per second in full core nuclear reactor simulations featuring complete temperature-dependent, continuous-energy physics on Frontier. Shift achieved a weak-scaling efficiency of 97.8% on 8192 nodes of Frontier and calculated 6 reactions in 214,896 fuel pin regions below 1% statistical error yielding first-of-a-kind resolution for a Monte Carlo transport application.

Hamilton, Steven P.↗
DOE OSTI2020

Experimental and numerical investigation of sands and Geldart A biomass co-fluidization

This study investigated the fluidization of sands and small Geldart A biomass mixtures. The mixture fluidized like Geldart A type particles with a uniform bed expansion regime before bubbling. The video recorded color distance between pure sands and sands–biomass mixtures was used to estimate the sands–biomass mixing. The coarse-grained computational fluid dynamics–discrete element method with a hybrid drag model which couples the Syamlal–O'Brien drag and a filtered drag can capture the mixing while the simulation with Gidaspow drag predicted a segregated bed. The simulations were further validated with experimental measured pressure drops. The time averaged pressure drop equals the weight of the bed material, however, its fluctuation is about three times of the bed material fluctuation.

42 ENGINEERING↗
DOE OSTI2023

Development of an accelerator-based neutron source to prototype Mo-99 production, part I: A liquid LBE windowless target

In this article, Molybdenum-99 (Mo-99)’s decay product, technetium-99 (Tc-99 m), is one of the most critical isotopes for medical diagnostics. To provide U.S. domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. This study discusses the development of the accelerator-based neutron source. The high-energy electrons from the accelerator irradiate a liquid lead-bismuth eutectic (LBE) target to produce neutrons. Part I of this work focuses on numerical and experimental analysis towards the development of a liquid LBE windowless target. Unlike the existing windowless targets in literature, the current design creates a vertical free surface for a beam to irradiate. First, a hydrodynamic analysis of the LBE windowless target is performed. Simplified analytical calculations are assisted by 2D computational fluid dynamics (CFD) simulations to design the target, with the focus on eliminating recirculation zones and avoiding cavitation. With the optimized geometry, the experimental study is performed to investigate the flow hydrodynamics using liquid LBE. The experiments (1) compare pressure drop in the system to correlation predictions; (2) visualize the free surface liquid LBE flow from the beam view; (3) validate the LBE flow profile using temperature sensitive paint from the side view; and (4) validate the liquid LBE film thickness using gamma densitometer measurements. Second, the power handling capability of the designed windowless target is investigated. The divider plate in the current design is susceptible to overheating due to the thin LBE film in front. As LBE erosion and corrosion is likely to occur at an LBE velocity of 2.0 m/s and temperature above 500 °C, a power limit of 10 kW of beam power was established to prevent this corrosion from occurring, which is calculated by a Nusselt number correlation. The divider plate surface temperature at 10 kW agrees well with the 3D CFD simulation results. Part I demonstrates the fundamental physics in liquid LBE windowless target design and associated testing. A companion paper, Part II will demonstrate how to couple this windowless target into the Mo-99 production system, including an accelerator system operating under an ultra-high vacuum and the UTA cooled by water at room temperature.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Large-scale Multiphysics Simulations of Small Modular Reactors Operating in Natural Circulation

Thanks to the advancements in high-performance computing, advanced modeling and simulation have become crucial in driving the development and deployment of next-generation nuclear reactors, such as small modular reactors (SMRs). SMRs offer the promise of cost-effective baseload electricity production and improved safety, while addressing some of the challenges associated with large reactor designs, such as high capital costs and extended construction timelines. As part of the Exascale Computing Project, the large-scale multiphysics simulation of an entire SMR primary system has been achieved by combining computational fluid dynamics and neutronics. In addition to the successful demonstration of full-core SMR simulations, the current study integrated the impact of natural circulation into the system. Natural circulation is the primary mechanism driving coolant circulation in SMRs. The mass flow rate in the core depends on the core power, and a numerical model has been developed to predict it. The pressure drop caused by the helical coil steam generator was also accounted for by developing a pressure drop correlation based on high-fidelity large eddy simulation results, further improving prediction accuracy. In conclusion, the results of the study demonstrate that the implemented natural circulation model is effective in predicting the responses of SMR full-core multiphysics simulations.

ECP↗
DOE OSTI2025

Direct statistical simulation of the Lorenz96 system in model reduction approaches

Direct statistical simulation (DSS) of nonlinear dynamical systems bypasses the traditional route of accumulating statistics by lengthy direct numerical simulations by solving the equations that govern the statistics themselves. DSS suffers, however, from the curse of dimensionality as the statistics (such as correlations) generally have higher dimensions than the underlying dynamical variables. Here we investigate two approaches to reduce the dimensionality of DSS, illustrating each method with numerical experiments with the Lorenz96 dynamical system. The forms of DSS chosen here involve approximate closures at second and third order in the equal-time cumulants. We demonstrate significant reduction in computational effort that can be achieved without sacrificing the accuracy of DSS. The methods developed here can be applied to turbulent fluid and magnetohydrodynamical systems. Published by the American Physical Society 2025

Li, Kuan↗
DOE OSTI2024

Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions

Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.

Computational fluid dynamics↗
DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial-flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that are neglected for wind turbines. These include buoyancy, added mass and inertial loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbines at a speed comparable to real time. While efficient for large sets of load cases and design studies, mid-fidelity codes make simplifying assumptions that may impact their accuracy. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system was modeled both with OpenFAST and with the commercial CFD code STAR-CCM+. The CFD model used a three-dimensional unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modeled with a custom coupling of the CFD solver with the open-source code MoorDyn. This improves upon the existing quasi-static catenary solver in STAR-CCM+, which lacks seabed contact or line-to-line connections. Simulation results for a floating marine turbine are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗
DOE OSTI2022

Characterization of the mud displacement in an enlarged wellbore: An integrated rock-fluid model

Cement-mud displacement plays a crucial role in the sealability of cement sheaths. Irregular geometric features of a wellbore due to washout can have a negative impact on mud and cement mobilization. An unstable interface between two fluids always leads to mud channeling, interfluid mixing, and cement contamination, degrading the cement quality. Many factors, such as mechanical and rheological properties of fluids, annulus geometry, flow pattern, and flow rate, significantly influence the displacement efficiency. This study investigates the characterization of the mud displacement in an irregular horizontal well using a 3D computational fluid dynamics (CFD) model. Mud is displaced in an enlarged wellbore by geopolymer and neat class G cement. The wellbore geometry is developed based on the caliper log data from an unconventional shale well in the Tuscaloosa Marine Shale (TMS) lithology. The effects of pump rate, density difference, and mud contamination are evaluated by numerical simulations. The results present those residual muds mainly exist in the upper annulus of the enlarged section. Geopolymer has a better sealing performance and can resist more water-based mud (WBM) contaminations than neat class G cement. The scenario with a low mud-cement density difference and high cement injection rate results in a high cement volume fraction, mitigating the gas migration.

58 GEOSCIENCES↗
DOE OSTI2025

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗