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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

MOSCATO Development and Integration in Fiscal Year 2024

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy evolution for molten salt equipment. In FY24, significant developments were made to the code package, enhancing its capabilities in many aspects. The improvements and advancements can be summarized as follows: 1. Implementation of tritium transport capabilities and validation with experimental data: To enable modeling of tritium and other fission gases within MSRs, we implemented gas transport within MOSCATO via inclusion of couple mass transport equations within the salt and structural alloys. Comparisons to experimental data from literature showed good agreement with respect to tritium release rates. 2. Preliminary implementation of two-phase flow models in MOSCATO: To model tritium and other gases above their solubility limits, we implemented preliminary two-phase flow models within MOSCATO to account for bubble transport. The first model adopted was the Level-Set approach, which can handle the high void fraction regime, but with a requirement for high mesh resolution thus high computational expense. In this report, we present a verification of the Level-Set method using a simple benchmark case. We also performed a demonstration of the code as applied to an experimental case involving cover gas flow through salt in an experimental vessel. The second model adopted was the Eulerian-Eulerian dispersed flow model, which is computationally cheaper but limited to low void fraction regimes, such as bubbly flow. Validation and verification have not yet been performed for the Eulerian-Eulerian approach, but a preliminary implementation was completed. 3. Validation with static corrosion experiments: Static corrosion experimental data for stainless steel coupons within molten salts was used to further validate the corrosion model in MOSCATO. To do so, we leveraged the existing models in MOSCATO and simulated the sample mass loss and mass gain phenomena. Several ion species, including Cr 2+ , Fe 2+ and H + , were simulated in salt using the PNP solver, while Cr 0 and Fe 0 were simulated with a diffusion solver in stainless steel. The mass loss of the samples was compared with experimental data, and good agreement was achieved. These combined activities served to further expand the capabilities of MOSCATO and make it more generally applicable to the full range of phenomena that can control chemistry and corrosion in molten salt reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1996

Dynamical Modeling of Surface Tension

In a recent review it is said that free-surface flows 'represent some of the difficult remaining challenges in computational fluid dynamics'. There has been progress with the development of new approaches to treating interfaces, such as the level-set method and the improvement of older methods such as the VOF method. A common theme of many of the new developments has been the regularization of discontinuities at the interface. One example of this approach is the continuum surface force (CSF) formulation for surface tension, which replaces the surface stress given by Laplace's equation by an equivalent volume force. Here, we describe how CSF formulation might be made more useful. Specifically, we consider a derivation of the CSF equations from a minimization of surface energy as outlined by Jacqmin (1996). This reformulation suggests that if one eliminates the computation of curvature in terms of a unit normal vector, parasitic currents may be eliminated. For this reformulation to work, it is necessary that transition region thickness be controlled. Various means for this, in addition to the one discussed by Jacqmin (1996), are discussed.

Brackbill, Jeremiah U.↗
NASA NTRS2000

Marangoni Effects on Near-Bubble Microscale Transport During Boiling of Binary Fluid Mixtures

In earlier investigations, Marangoni effects were observed to be the dominant mechanism of boiling transport in 2-propanol/water mixtures under reduced gravity conditions. In this investigation we have examined the mechanisms of binary mixture boiling by exploring the transport near a single bubble generated in a binary mixture between a heated surface and cold surface. The temperature field created in the liquid around the bubble produces vaporization over the portion of its interface near the heated surface and condensation over portions of its interface near the cold surface. Experiments were conducted using different mixtures of water and 2-propanol under 1g conditions and under reduced gravity conditions aboard the KC135 aircraft. Since 2-propanol is more volatile than water, there is a lower concentration of 2-propanol near the hot surface and a higher concentration of 2-propanol near the cold plate relative to the bulk quantity. This difference in interface concentration gives rise to strong Marangoni effects that move liquid toward the hot plate in the near bubble region for 2-propanol and water mixtures. In the experiments in this study, the pressure of the test system was maintained at about 5 kPa to achieve the full spectrum of boiling behavior (nucleate boiling, critical heat flux and film boiling) at low temperature and heat flux levels. Heat transfer data and visual documentation of the bubble shape were extracted from the experimental results. In the 1-g experiments at moderate to high heat flux levels, the bubble was observed to grow into a mushroom shape with a larger top portion near the cold plate due to the buoyancy effect. The shape of the bubble was somewhat affected by the cold plate subcooling and the superheat of the heated surface. At low superheat levels for the heated surface, several active nucleation sites were observed, and the vapor stems from them merged to form a larger bubble. The generation rate of vapor is moderate in this regime and the bubble shape is cylindrical in appearance. In some instances, the bubble interface appeared to oscillate. At higher applied heat flux levels, the top of the bubble became larger, apparently to provide more condensing interface area adjacent to the cold plate. Increasing the applied heat flux ultimately led to dry-out of the heated surface, with conditions just prior to dryout corresponding to the maximum heat flux (CHF). A more stable bubble was observed when the system attained the minimum heat flux (for film boiling). In this regime, most of the surface under the bottom of the bubble was dry with nucleate boiling sometimes occuring around the contact perimeter of the bubble at heated surface. Different variations (e.g. gap between two plates, molar concentration of the liquid mixture) of the experiments were examined to determine parametric effects on the boiling process and to determine the best conditions for the KC135 reduced gravity tests. Variation of the gap was found to have a minor impact on the CHF. However, reducing the gap between the hot and cold surface was observed to significantly reduce the minimum heat flux for fixed molar concentration of 2-propanol. In the reduced gravity experiments aboard the KC135 aircraft, the bubble formed in the 6.4 mm gap was generally cylindrical or barrel shaped and it increased its extent laterally as the surface superheat increased. In reduced gravity experiments, dryout of the heated surface under the bubble was observed to occur at a lower superheated temperature than for 1g conditions. Observed features of the boiling process and heat transfer data under reduced gravity will be discussed in detail. The results of the reduced gravity experiments will also be compared to those obtained in comparable 1g experiments. In tandem with the experiments we are also developing a computational model of the transport in the liquid surrounding the bubble during the boiling process. The computational model uses a level set method to model motion of the interface. It will incorporate a macroscale treatment of the transport in the liquid gap between the surfaces and a microscale treatment of transport in the regions between the bubble interface and the solid surfaces. The features of the model will be described in detail. Future research directions suggested by the results to date will also be discussed.

V. Carey↗
NASA NTRS1997

Computational Modeling as a Design Tool in Microelectronics Manufacturing

Plans to introduce pilot lines or fabs for 300 mm processing are in progress. The IC technology is simultaneously moving towards 0.25/0.18 micron. The convergence of these two trends places unprecedented stringent demands on processes and equipments. More than ever, computational modeling is called upon to play a complementary role in equipment and process design. The pace in hardware/process development needs a matching pace in software development: an aggressive move towards developing "virtual reactors" is desirable and essential to reduce design cycle and costs. This goal has three elements: reactor scale model, feature level model, and database of physical/chemical properties. With these elements coupled, the complete model should function as a design aid in a CAD environment. This talk would aim at the description of various elements. At the reactor level, continuum, DSMC(or particle) and hybrid models will be discussed and compared using examples of plasma and thermal process simulations. In microtopography evolution, approaches such as level set methods compete with conventional geometric models. Regardless of the approach, the reliance on empricism is to be eliminated through coupling to reactor model and computational surface science. This coupling poses challenging issues of orders of magnitude variation in length and time scales. Finally, database development has fallen behind; current situation is rapidly aggravated by the ever newer chemistries emerging to meet process metrics. The virtual reactor would be a useless concept without an accompanying reliable database that consists of: thermal reaction pathways and rate constants, electron-molecule cross sections, thermochemical properties, transport properties, and finally, surface data on the interaction of radicals, atoms and ions with various surfaces. Large scale computational chemistry efforts are critical as experiments alone cannot meet database needs due to the difficulties associated with such controlled experiments and costs.

Meyyappan, Meyya↗
NASA NTRS2002

A geometric deformable model for echocardiographic image segmentation

Gradient vector flow (GVF), an elegant external force for parametric deformable models, can capture object boundaries from both sides. A new geometric deformable model is proposed that combines GVF and the geodesic active contour model. The level set method is used as the numerical method of this model. The model is applied for echocardiographic image segmentation.

NASA Program Biomedical Research and Countermeasur↗
NASA NTRS2013

Robust Maneuvering Envelope Estimation Based on Reachability Analysis in an Optimal Control Formulation

This paper discusses an algorithm for estimating the safe maneuvering envelope of damaged aircraft. The algorithm performs a robust reachability analysis through an optimal control formulation while making use of time scale separation and taking into account uncertainties in the aerodynamic derivatives. Starting with an optimal control formulation, the optimization problem can be rewritten as a Hamilton- Jacobi-Bellman equation. This equation can be solved by level set methods. This approach has been applied on an aircraft example involving structural airframe damage. Monte Carlo validation tests have confirmed that this approach is successful in estimating the safe maneuvering envelope for damaged aircraft.

optimal control↗
NASA NTRS2015

Level-Set Topology Optimization with Aeroelastic Constraints

Level-set topology optimization is used to design a wing considering skin buckling under static aeroelastic trim loading, as well as dynamic aeroelastic stability (flutter). The level-set function is defined over the entire 3D volume of a transport aircraft wing box. Therefore, the approach is not limited by any predefined structure and can explore novel configurations. The Sequential Linear Programming (SLP) level-set method is used to solve the constrained optimization problems. The proposed method is demonstrated using three problems with mass, linear buckling and flutter objective and/or constraints. A constraint aggregation method is used to handle multiple buckling constraints in the wing skins. A continuous flutter constraint formulation is used to handle difficulties arising from discontinuities in the design space caused by a switching of the critical flutter mode.

Dunning, Peter D.↗
NASA NTRS2019

Level Set Topology Optimization of Load Carrying Heat Dissipation Devices

In this paper, we introduce a level set method topology optimization method of structures subjected to coupled mechanical and thermal loads. Different examples considering compliance minimization and stress minimization under temperature and volume constraints, and mass minimization under stress and temperature constraints, are presented. The p-norm of the stress field and temperature field is used to approximate the maximum stress and temperature, respectively. The developed method is applied in the design of an L-bracket and a battery package. The results show that designs obtained by ignoring the thermal or structural constraints can result in high values of temperature or stress, respectively.

Kambampati, Sandilya↗
NASA NTRSDate not supplied

TPSAS-NF1676L-18502-DND

1. Aeroelastic tailoring with tow-steered composites 2. Aeroelastic tailoring with functionally-graded metals 3. Wing box topology optimization - Curvilinear rib/spar/stiffener placement - Cellular-based stringer topologies - Optimal topology of lightening holes within ribs/spars - 3D level set methods

Stanley R Cole↗
NASA NTRS2021

Analysis of Arc Welding Process in Space

This work is motivated by NASA plans to conduct welding experiments on the ISS. It is expected that deployment of welding and additive manufacturing technologies in the space environment has the potential to revolutionise how orbiting platforms are designed, manufactured, and assembled. However, the structure, composition and quality of a weld is extremely dependent on the environment and can be difficult to control in space. Shielding gases would also be tough to manage as gases behave differently in zero gravity and airless environments. Additional points of concern are related to the spatter and sparks dynamics in space. Therefore, there is a need for a more basic understanding of welding processes by computational modelling. To provide such an insight we developed state of art models of the ARC torch, droplet detachment and transfer, and the melt pool build up using magnetohydrodynamics approximation and level set method for two-phase liquid metal/-gas flow modelling. Two finite element models were built using 2D axisymmetric geometry in COMSOL Multiphysics®: (i) stationary model of the ARC torch and (ii) dynamical model of droplet detachment and transfer. Both models demonstrate reasonable agreement with earlier experimental observations and high sensitivity to the temperature dependence of the thermophysical parameters on the system materials. The models were used to provide physical insight into ARC welding in various environments and geometries. It was shown, in particular, that there is a significant probability of gas bubbles trapping in the meltpool and a possibility of unbounded wondering of sparks in the welding chamber in zero gravity. In addition, we estimated metal evaporation rate that may be hazardous in the confined environment of the ISS. These issues raise concern of quality of the weld and safety for ISS applications.

ARC welding↗
NASA NTRS2005

Method for implementation of recursive hierarchical segmentation on parallel computers

A method, computer readable storage, and apparatus for implementing a recursive hierarchical segmentation algorithm on a parallel computing platform. The method includes setting a bottom level of recursion that defines where a recursive division of an image into sections stops dividing, and setting an intermediate level of recursion where the recursive division changes from a parallel implementation into a serial implementation. The segmentation algorithm is implemented according to the set levels. The method can also include setting a convergence check level of recursion with which the first level of recursion communicates with when performing a convergence check.

Tilton, James C.↗
NASA NTRS2014

Aerostructural Level Set Topology Optimization for a Common Research Model Wing

The purpose of this work is to use level set topology optimization to improve the design of a representative wing box structure for the NASA common research model. The objective is to minimize the total compliance of the structure under aerodynamic and body force loading, where the aerodynamic loading is coupled to the structural deformation. A taxi bump case was also considered, where only body force loads were applied. The trim condition that aerodynamic lift must balance the total weight of the aircraft is enforced by allowing the root angle of attack to change. The level set optimization method is implemented on an unstructured three-dimensional grid, so that the method can optimize a wing box with arbitrary geometry. Fast matching and upwind schemes are developed for an unstructured grid, which make the level set method robust and efficient. The adjoint method is used to obtain the coupled shape sensitivities required to perform aerostructural optimization of the wing box structure.

Dunning, Peter D.↗
DOE OSTI2017

An arbitrary-order Runge–Kutta discontinuous Galerkin approach to reinitialization for banded conservative level sets

Here, we present a Runge-Kutta discontinuous Galerkin method for solving conservative reinitialization in the context of the conservative level set method. This represents an extension of the method recently proposed by Owkes and Desjardins [21], by solving the level set equations on the refined level set grid and projecting all spatially-dependent variables into the full basis used by the discontinuous Galerkin discretization. By doing so, we achieve the full k+1 order convergence rate in the L1 norm of the level set field predicted for RKDG methods given kth degree basis functions when the level set profile thickness is held constant with grid refinement. Shape and volume errors for the 0.5-contour of the level set, on the other hand, are found to converge between first and second order. We show a variety of test results, including the method of manufactured solutions, reinitialization of a circle and sphere, Zalesak's disk, and deforming columns and spheres, all showing substantial improvements over the high-order finite difference traditional level set method studied for example by Herrmann. We also demonstrate the need for kth order accurate normal vectors, as lower order normals are found to degrade the convergence rate of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Level-set topology optimization with PDE generated conformal meshes

This paper presents a level-set topology optimization approach that uses conformal meshes for the analysis of the displacement field. The structure’s boundary is represented by the iso-contour of a level-set field discretized on a fixed background design mesh. The conformal mesh is updated for each design iteration via a PDE based mesh morphing process that identifies the set of facets in the background mesh that are homeomorphic to the boundary and relaxes the homeomorphic mesh to conform to the structure’s boundary and ensure high element quality. The conformal mesh allows for a more accurate computation of the response versus density and some level-set based methods which interpolate material properties using the volume fraction. Numerical examples illustrate the proposed approach by optimizing linear-elastic two- and three-dimensional structures, wherein insight into the performance of the mesh morphing process is provided. The examples also highlight the scalability of the approach.

42 ENGINEERING↗