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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Constrained optimization framework for interface-aware sub-scale dynamics models for voids closure in Lagrangian hydrodynamics

In hydrocodes, voids are used to represent vacuum and model free boundaries between vacuum and real materials. We give a systematic description of a new treatment of void closure in the framework of the multimaterial arbitrary Lagrangian–Eulerian (ALE) methods. This includes a new formulation of the interface-aware sub-scale-dynamics (IA-SSD) closure model for multimaterial cells with voids, which is used in the Lagrangian stage of our indirect ALE scheme. The results of the comprehensive testing of the new model are presented for one- and two-dimensional multimaterial calculations in the presence of voids. Finally, we also present a sneak peek of a realistic shaped charge calculation in the presence of voids and solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

An interface-aware sub-scale dynamics multi-material cell model for solids with void closure and opening at all speeds

Here, we present a multi-material cell model (closure model) for demanding arbitrary Lagrangian-Eulerian (ALE) simulations of fluids and solids. It is based on the interface-aware sub-scale dynamics (IASSD) approach which utilizes the exact material interface geometry within the computational cell to calculate internal material interactions. Our formulation of the closure model also aims to improve the accuracy in low-speed impact events. Voids are used to represent ambient vacuum and internal free boundaries of the distinct materials. Void regions can close and open at contact surfaces, allowing a transition from contact physics to free motion in vacuum. The coupling of void closure and opening with a new formulation of the IASSD model for solids is tested on several one- and two-dimensional numerical examples, ranging from gas expansion in vacuum to planar and round object impacts at various speeds.

42 ENGINEERING↗
NASA NTRS1989

The generalized drift flux approach: Identification of the void-drift closure law

The main characteristics and the potential advantages of generalized drift flux models are presented. In particular it is stressed that the issue on the propagation properties and on the mathematical nature (hyperbolic or not) of the model and the problem of closure are easier to tackle than in two fluid models. The problem of identifying the differential void-drift closure law inherent to generalized drift flux models is then addressed. Such a void-drift closure, based on wave properties, is proposed for bubbly flows. It involves a drift relaxation time which is of the order of 0.25 s. It is observed that, although wave properties provide essential closure validity tests, they do not represent an easily usable source of quantitative information on the closure laws.

Boure, J. A.↗
DOE OSTI2018

Interfacial structure and bonding mechanism of weld seams during porthole die extrusion of aluminum alloy profiles

Highlights: • Interfacial structures and bonding mechanisms of extrusion welds were studied. • Interfacial grain boundaries, amorphous layers and voids were found. • Bonding mechanisms in the absence/presence of a gas-pocket were proposed. • Voids closure, oxide films breaking and grain boundaries migration were discussed. - Abstract: Fine nanostructures of bonding interfaces of weld seams formed by porthole die extrusion in the absence/presence of a gas-pocket behind the bridge of the extrusion die were systematically studied to understand the underlying interfacial bonding mechanisms. Interfacial grain boundaries, nanoscale amorphous layers, and three kinds of new interfacial structures were found. Specifically, it was found that, in the absence of a gas-pocket behind the bridge, there are two distinctly different interfacial structures. For the first kind of bonding interface, interfacial grain boundaries exist in contact areas and micro-voids exist in non-contact areas. For the second kind of bonding interface, there are no interfacial grain boundaries in contact areas and only nanoscale micro-voids exist in non-contact areas. In the presence of a gas-pocket behind the bridge, nanoscale voids and amorphous layers exist at the bonding interface. It was also found that the formation of gas-pockets can be avoided by increasing the depth of the welding chamber, and the increase of the welding chamber's depth and extrusion speed also contributes to the volume reduction of micro-voids and the migration of grain boundaries at the bonding interface, so as to improve the welding quality of weld seams. Based on the experimental findings, two interfacial bonding mechanisms corresponding to the absence/presence of a gas-pocket are proposed. The specific behavior of micro-asperities contact, micro-voids closure, oxide films breaking and interfacial grain boundaries migration are described, and the solid-state bonding process during porthole die extrusion is revealed from the micro-nano scales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Nanoscale self-healing mechanisms in shape memory ceramics

Abstract Shape memory ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), offer unique properties including ultra-high operating temperatures and high resistance to oxidation. However, they are susceptible to formation of defects during manufacturing and/or by mechanical deformation. To completely take advantage of their shape memory properties, it is necessary to fully understand the nano-structural evolution of defects under external stimuli. In this study, defect evolution behaviors in YSTZ nanopillars are investigated by atomistic simulations. Two characteristic orientations of $$\left[ {01\bar 1} \right]$$ 01 1 ¯ and [001] are selected to represent the dominant deformation mechanisms of phase transformation and dislocation migration, respectively. Volume expansion associated with the tetragonal to monoclinic phase transformation is observed to promote healing of crack and void. Atom stress analyses reveal stress concentrations along the newly formed monoclinic phase bands. A critical crack width is identified, less than which the crack can be fully closed in compression. For [001]-oriented YSTZ nanopillars, dislocation migration leads to formations of an amorphous phase, which also assist the crack and void closure process. The revealed crack/void healing mechanisms may provide a path for mitigating internal defects that influences the mechanical properties and deformation mechanisms of shape memory ceramics.

Zhang, Ning (ORCID:0000000240661837)↗
DOE OSTI2019

Closure of Internal Porosity in Continuous Casting Bloom During Heavy Reduction Process

To investigate the closure behavior of internal porosity (also referred to as internal void) in continuous casting bloom during heavy reduction (HR) and thus provide theoretical guidance for minimizing this kind of internal defect more effectively with HR, a three-dimensional (3D) mechanical model was developed based on the predicted temperature field by a 2D heat transfer model. With this 3D mechanical model, closure behaviors of internal porosity in continuous casting bloom during HR at and after the strand solidification end under different process conditions were numerically studied. It was found that the void axis length decreased significantly along the bloom thickness direction and increased slightly along the casting and bloom width directions after HR, and the influence of the initial void size on the void closure was not obvious. With a decrease of temperature difference between the bloom surface and center, HR efficiency for minimizing internal void decreased, while the required reduction force significantly increased. Compared with blooms with a uniform temperature distribution of 1100 °C, the void closure index after HR implemented at the strand solidification end was increased by ~ 25 pct. Compared with a conventional flat roll, the application of a convex roll during HR could contribute to minimizing the internal porosity more effectively and significantly enhance the reduction capacity of the withdrawal and straightening units. The void closure index of η{sub s} and η{sub v} (where η{sub s} and η{sub v} were defined based on the variation of the void aspect ratio and the void volume, respectively) was closely related to the equivalent strain (ε{sub eq}) and the hydrostatic integration parameter (Q), respectively, and two mathematical equations were derived to quantitatively describe the relationship of η{sub s} − ε{sub eq} and η{sub v} − Q.

36 MATERIALS SCIENCE↗
DOE OSTI2024

DECOVALEX-2023: Task B Final Report

In all repository concepts for the geological disposal of radioactive waste, an engineered barrier system (EBS) is used to encapsulate the waste canister, or, to act as borehole or gallery seals. These systems are often based on bentonite clays due to their low permeability and high swelling capacity enabling the closure of engineering voids. However, in all repository concepts gases will be generated through the corrosion of metallic materials (under anoxic conditions), the radioactive decay of waste and the radiolysis of water. Thus, understanding the processes and mechanisms controlling the advective movement of gas (as a discrete phase) in clay-based materials is a key aspect when assessing the impact of gas flow in a repository safety case.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

ASSESSMENT OF MULTIPHASE CFD WITH ZERO CLOSURE MODEL FOR BOILING WATER REACTOR FUEL ASSEMBLIES

Extension of existing boiling closures to the high void fraction conditions of BWRs is one of challenges for M-CFD applications. This paper presents the assessment of an Eulerian M-CFD model with Zero closure model that has been specifically designed for two-phase flow and heat transfer applications in BWR fuel assemblies. The baseline Zero closure aims at including the simplest and most robust representation of the key physical mechanisms, rather than aiming at absolute accuracy of the predictions. The capabilities of M-CFD with Zero were evaluated against the international OECD/NRC BFBT benchmark data through the comparative analyses of local void fraction, sub-channel void fraction error and exit quality. INL high performance computing system has been employed to demonstrate the scalability of the M-CFD application to nuclear reactor fuel assemblies. The M-CFD simulation results show a good agreement with the experimental data for both quantitative and qualitative results, with the highest uncertainty being observed in the prediction of the local void fraction profile at low void fraction condition. This paper presents a recent view of the best practices for M-CFD of BWR fuel assemblies to provide a useful reference to identify and overcome common challenges in the applications of M-CFD tools. We provide recommendations for geometric modeling, mesh generation and solver configurations to optimize the methodology application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Improvements to CTF Closure Models for Modelling of Two-Phase Flow

This report documents the efforts to improve the CTF prediction of void fraction and two-phase pressure drop by improving two-phase closure models. Previous validation activities have revealed that CTF tends to overpredict void fraction and two-phase pressure drop. In response to this, two approaches were taken to improve CTF’s predictive capabilities. Based on findings that the interfacial drag and subcooled boiling models significantly impact void prediction, alternative closure models for these physical effects were found and implemented into the code. An extensive assessment was performed by using the existing and newly added two-phase experimental data, which showed that void prediction, wall temperature, and two-phase pressure-drop results are improved by using the newly implemented models. A second approach for improving CTF modeling accuracy involved the use of a Bayesian calibration process that uses CTF validation data to optimize selected modeling coefficients and closure model multipliers to achieve a more accurate prediction of experimental results. A similar assessment was performed with calibrated models that improved the void and pressure-drop prediction for test cases that were both included and not included in the calibration dataset. Results of this study will be used to change the models used in CTF to achieve more accurate BWR analyses moving forward. This study also identified opportunities for improving additional closure models and other opportunities to use calibration techniques to improve CTF.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Bipolar Membranes with an Electrospun 3D Junction

Freestanding bipolar membranes (BPMs) with an entirely new and transformative morphology were fabricated and characterized. The key disruptive design element was a water-splitting/water-generation junction layer of finite thickness composed of interwoven and interlocking electrospun anion-exchange polymer (AEP) fibers and cation-exchange polymer (CEP) fibers. Methods were developed to sandwich the 3D junction layer between two pre-formed dense AEP and CEP films., with the closure of all interfiber voids, where the processing steps are easily incorporated into a commercial roll-to-roll membrane manufacturing scheme. A series of membranes were made using different polymers and junction layers to identify the optimum morphology and composition for water-splitting and water-generation applications. For water splitting, the 3D junction BPMs worked remarkably well with operating current densities at/above 1.0 A/cm2 (10X greater than commercial BPMs) at a transmembrane voltage drop of only 1.1 V. In water generation mode, the 3D junction BPMs operated at 0.5 A/cm2, a world-record current density. The membranes were found to exhibit outstanding durability and can be manufactured at scale for low cost. The high operating current densities and stable long-term operation are due to the 3D junction layer design, where there is a high interfacial area for water splitting or water generation reactions and where the interlocking fibers prevent delamination of the outer films. These new BPMs are ideal candidate materials for both existing water-splitting electrodialysis separations and new electrochemical processes, such as large-scale direct air capture of CO 2 , reactors for CO 2 reduction, self-hydrating fuel cells, and redox flow batteries.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Computational Fluid Dynamics (CFD) Simulations of Taylor Bubbles in Vertical and Inclined Pipes with Upward and Downward Liquid Flow

Summary Two-phase flow is a common occurrence in pipes of oil and gas developments. Current predictive tools are based on the mechanistic two-fluid model, which requires the use of closure relations to predict integral flow parameters such as liquid holdup (or void fraction) and pressure gradient. However, these closure relations carry the highest uncertainties in the model. In particular, significant discrepancies have been found between experimental data and closure relations for the Taylor bubble velocity in slug flow, which has been determined to strongly affect the mechanistic model predictions (Lizarraga-García 2016). In this work, we study the behavior of Taylor bubbles in vertical and inclined pipes with upward and downward flow using a validated 3D computational fluid dynamics (CFD) approach with level set method implemented in a commercial code. A total of 56 cases are simulated, covering a wide range of fluid properties, pipe diameters, and inclination angles: Eo ∈ [10, 700]; Mo ∈ [1×10–6, 5×103]; ReSL ∈ [–40, 10]; θ ∈ [5°, 90°]. For bubbles in vertical upward flows, the simulated distribution parameter, C0, is successfully compared with an existing model. However, the C0 values of downward and inclined slug flows where the bubble becomes asymmetric are shown to be significantly different from their respective vertical upward flow values, and no current model exists for the fluids simulated here. The main contributions of this work are (1) the relatively large 3D numerical database generated for this type of flow, (2) the study of the asymmetric nature of inclined and some vertical downward slug flows, and (3) the analysis of its impact on the distribution parameter, C0.

Engineering↗
DOE OSTI2018

A status review on DNB prediction using CASL baseline boiling model and possible suggestions regarding wall boiling closures

The main goal of FY18 THM’s focus task is to evaluate where the current CASL boiling model stands for DNB predictive performance, to identify which components should be improved or calibrated to enhance DNB performance. Over the past three year’s validation tests, Gen1A boiling model has presented an under-predictive behavior for DNB at the high pressure of interest for PWR application. With this in mind, this year’s task is to focus on 1) best practice guidelines on DNB detection criteria, 2) interfacial momentum transfer closure tests, and 3) wall boiling closure sensitivity on DNB. Best practice guidelines on DNB detection criteria are demonstrated by the following three monitoring variables: 1) max wall temperature, 2) K-value and 3) energy balance. Interfacial momentum transfer closure govern the bubble distribution, especially in lateral direction, as well as bubble mean diameter. A clear correlation between interfacial momentum closure and DNB prediction is not observed in the current tests. However, void distributions are changed with different interfacial momentum closure tests which requires further validation with corresponding experimental measurement. From a variety of wall boiling closure tests, bubble departure diameter seems the most sensitive for DNB performance while fulfilling numerical robustness in DNB simulation. Tolubinski’s bubble departure diameter model was calibrated to see if any improvement is observed in DNB performance. Notable DNB improvement was observed as the bubble departure diameter is reduced. However, reduced bubble departure diameter by calibrated Tolubinski’s model seemed to lead to relatively high wall superheat temperature prediction which requires further validation with associated experimental measurement It should be noted that lack of experimental measurement close to DNB condition hampers this boiling closure sensitivity study significantly. This situation directly reflects some of limitations of the CASL boiling model development. With this in mind, the implementation of improved boiling closure on 5x5 NMVG and MVG tests will be pursued in FY19, the associated DNB best practice guidelines and possible limitations will be addressed for industry DNB application.

42 ENGINEERING↗
DOE OSTI2020

Probing interfacial momentum closures in two-phase bubbly flow with machine learning-aided methods

Computational fluid dynamics (CFD) approach has already reached a high level of maturity for single-phase flows, however the development of closure models for two-phase flow requires additional attention. Multiphase CFD (M-CFD) methods resolve the conservation equations for mass, momentum and energy while differing in the approaches and strategies adopted in the physical closure models. The most widely adopted framework for M-CFD is the Eulerian-Eulerian two-fluid approach which assumes that all phases are co-existing inside each computational cell. For each fluid, the full set of conservation equations is solved; therefore, each fluid has a different velocity field. For adiabatic two-phase flow, the mechanisms of the interfacial momentum transfer are modeled by the interfacial forces representing different physical mechanisms. One of the crucial issues in the development and application of two-fluid model is the understanding of the interfacial momentum closures which determines the bubble distribution and migration behaviors. Dedicated experiments are performed to support the physical understanding and drive the closures’ development. However, limitations exist due to the uncertainties in the experimental measurement and the simplified analytical assumptions which have difficulties on representing the complex non-linear flow fields. In this paper, a data-driven approach, Feature Similarity Measurement (FSM), is developed and proposed to resolve the challenges of modeling the interfacial forces closures. Case study is performed with two-phase flow scenarios where the high-fidelity experimental data is available. Within the Eulerian-Eulerian two-fluid framework, only momentum equations for gas and liquid phases are solved and reduced-order interfacial momentum closures are aided with FSM. Predictions of void fraction and velocity fields are analyzed and demonstrate the potential of machine learning-driven interfacial forces closures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

ANTS

The ANTS code (Alternate Non-Linear Two-phase Solver) is based on a novel non-linear solution algorithm for the solution of the two-phase, subchannel fluid equations. It achieves its performance through decoupling of the two-phase momentum equations (axial and transverse) from the axial phasic mass and energy equations which allows for a nested non-linear iteration scheme. This enables a plane-by-plane solution which the inner iteration focuses on a reduced non-linear equation set for the primitives in phasic mass flow rate, enthalpy and void for each node edge. Single node edges are coupled as part of the outer iteration via surface mass fluxes which appear as source terms in the inner iteration scheme. The outer iteration readily accommodates two-phase flow phenomena closure relationships for subchannel mixing and void drift. A primary feature is the use of a non-staggered mesh computational mesh and steady-state iterative solver in contrast to all existing subchannel codes.

Kropaczek, David J↗
DOE OSTI2017

Uncertainty Quantification of Multi-Phase Closures

In the ensemble-averaged dispersed phase formulation used for CFD of multiphase ows in nuclear reactor thermohydraulics, closures of interphase transfer of mass, momentum, and energy constitute, by far, the biggest source of error and uncertainty. Reliable estimators of this source of error and uncertainty are currently non-existent. Here, we report on how modern Validation and Uncertainty Quanti cation (VUQ) techniques can be leveraged to not only quantify such errors and uncertainties, but also to uncover (unintended) interactions between closures of di erent phenomena. As such this approach serves as a valuable aide in the research and development of multiphase closures. The joint modeling of lift, drag, wall lubrication, and turbulent dispersion|forces that lead to tranfer of momentum between the liquid and gas phases|is examined in the frame- work of validation of the adiabatic but turbulent experiments of Liu and Banko , 1993. An extensive calibration study is undertaken with a popular combination of closure relations and the popular k-ϵ turbulence model in a Bayesian framework. When a wide range of super cial liquid and gas velocities and void fractions is considered, it is found that this set of closures can be validated against the experimental data only by allowing large variations in the coe cients associated with the closures. We argue that such an extent of variation is a measure of uncertainty induced by the chosen set of closures. We also nd that while mean uid velocity and void fraction pro les are properly t, uctuating uid velocity may or may not be properly t. This aspect needs to be investigated further. The popular set of closures considered contains ad-hoc components and are undesirable from a predictive modeling point of view. Consequently, we next consider improvements that are being developed by the MIT group under CASL and which remove the ad-hoc elements. We use non-intrusive methodologies for sensitivity analysis and calibration (using Dakota) to study sensitivities of the CFD representation (STARCCM+) of uid velocity pro les and void fraction pro les in the context of Shaver and Podowski, 2015 correction to lift, and the Lubchenko et al., 2017 formulation of wall lubrication.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

BWR Full Fuel Assembly Testing and Validation

This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CLS.P15.10: BWR Full Fuel Assembly Testing and Validation. The extension of existing boiling closure designed for Pressurized Water Reactors (PWRs) to the high void fraction condition of Boiling Water Reactors (BWRs) is one of the challenges for Multiphase Computational Fluid Dynamics (M-CFD) applications. In the efforts aimed at developing the advanced boiling closure for BWRs, the baseline closure model, so-called ‘Zero’ closure, has been developed based on the GEN-I closure for PWRs which was used as a starting point. Since this simplest closure model is robust but does not contain any explicit description of the complex high void fraction mechanisms, the applicability of M-CFD needs to be evaluated before developing advanced closures for BWRs. To support this need, the high fidelity M-CFD simulation with Zero closure has been conducted for the BWR full fuel assembly. The capabilities of M-CFD with Zero closure were evaluated against the international OECD/NRC BFBT benchmark data. The scalability of the M-CFD application to the nuclear fuel assembly was demonstrated with the INL High Performance Computing (HPC) system. This report presents the recent view of the best practices on M-CFD for BWRs to provide a useful reference to identify and overcome common challenges in the M-CFD applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

CTF Improved Drag Model and Flow Regime Transition Criteria

The demand for accurate prediction of two-phase flow behavior in a boiling water reactor (BWR) requires a comprehensive understanding of flow regime, void fraction, heat transfer, and pressure drop. The CTF subchannel code, which is used for the Thermal/Hydraulic (T/H) solution in the Consortium for Advanced Simulation of Light Water Reactors (CASL)-developed Virtual Environment for Reactor Application (VERA) core simulator, is being further developed for BWR applications. In support of this goal, the present work highlights some of the two-phase closure model developments towards improving the CTF void fraction prediction, especially for subcooled boiling. The drift-flux approach has been well-developed for upward dispersed two-phase flows and proven to be accurate in predicting void fraction in bubbly and slug flow regimes. In this work, these kinematic constitutive relations for the drift-flux velocity have been implemented into CTF to describe the interfacial drag of bubbly flow as an alternative to the existing model for better void fraction prediction. The success of these constitutive relations also relies on a good flow regime map that accounts for flow conditions and channel geometry. A more reliable flow regime transition criteria that account for the flow condition has also been implemented in this study for modeling the flow regime transition criteria. The newly implemented models are shown to give improved void fraction predictions in comparison to experimental data.

Hizoum, Belgacem↗
DOE OSTI2018

Gen-0 BWR Modeling Application and Validation (L3 Milestone THM.P18.01)

This milestone report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the thermal hydraulics Methods (THM) Level 3 milestone L3:THM.P18.01 Gen-0 BWR Modeling Application and Validation. The extension of existing boiling closure designed for Pressurized Water Reactors (PWRs) to the high void fraction condition of Boiling Water Reactors (BWRs) is one of the challenges for Multiphase Computational Fluid Dynamics (M-CFD) applications. In the efforts aimed at developing the advanced boiling closure for BWRs, the baseline closure model, so-called ‘Zero’ closure, has been developed by leveraging the experience gained through the Numerical Nuclear Reactor project. This baseline closure model is physics-based, simplest and robust, but it does not contain any explicit descriptions of the complex high void fraction mechanisms. This is a continuation of the CASL thermal-hydraulic study to develop and assess the CFD-BWR models. In FY-17, the applicability has been evaluated against the international OECD/NRC BFBT benchmark data. In the present work, we assessed the capability of CFD-BWR model for void drift phenomena in the modern BWR fuel designs which make use of both full-length and part-length rods.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗