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DOE OSTI2024

Analysis of heat transfer and AuNPs-mediated photo-thermal inactivation of E. coli at varying laser powers using single-phase CFD modeling

In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Estimating Flow-Through Balance Momentum Tares with CFD

This paper describes the process used for estimating flow-through balance momentum tares. The interaction of jet engine exhausts on the BOEINGERA Hybrid Wing Body (HWB) was simulated in the NFAC 40x80 wind tunnel at NASA Ames using a pair of turbine powered simulators (TPS). High-pressure air was passed through a flow-through balance and manifold before being delivered to the TPS units. The force and moment tares that result from the internal shear and pressure distribution were estimated using CFD. Validation of the CFD simulations for these complex internal flows is a challenge, given limited experimental data due to the complications of the internal geometry. Two CFD validation efforts are documented, and comparisons with experimental data from the final model installation are provided.

Balance Momentum Tare↗

NASA NTRS2017

CFD Analysis in Advance of the NASA Juncture Flow Experiment

NASA through its Transformational Tools and Technologies Project (TTT) under the Advanced Air Vehicle Program, is supporting a substantial effort to investigate the formation and origin of separation bubbles found on wing-body juncture zones. The flow behavior in these regions is highly complex, difficult to measure experimentally, and challenging to model numerically. Multiple wing configurations were designed and evaluated using Computational Fluid Dynamics (CFD), and a series of wind tunnel risk reduction tests were performed to further down-select the candidates for the final experiment. This paper documents the CFD analysis done in conjunction with the 6 percent scale risk reduction experiment performed in NASA Langley's 14- by 22-Foot Subsonic Tunnel. The combined CFD and wind tunnel results ultimately helped the Juncture Flow committee select the wing configurations for the final experiment.

Flow Experiment↗

NASA NTRS2018

Progress Towards the CFD Vision 2030

Outline: NASA Motivation; CFD Vision 2030 Study Summary - The Vision - Roadmap - Validation Experiments - CFD 2030 Activities Since Report Release; T3 Technical Challenges Supporting CFD Vision 2030 - Revolutionary Computational Aerosciences (RCA) [Aerodynamics - Aerothermodynamics - Aerostructures - Aeroacoustics - Propulsion Integration] - Multidisciplinary Design, Analysis, and Optimization (MDAO) - Combustion Modeling - Innovative Measurements (Proposed); Implementation Plan, Going Forward; Summary.

Vision 2030↗

NASA NTRS2018

Combined Error and Uncertainty Estimates for CFD Problems

Given input sources of uncertainty, non-intrusive uncertainty propagation methods quantify the uncertainty in output quantities of interest (QoI) by performing a nite number of CFD (Computational Fluid Dynamics) instance realizations needed in the calculation of output statistics. It is well known that this introduces multiple sources of error. CFD codes often utilize finite-dimensional approximation (grids, basis functions, etc.) thus incurring CFD numerical errors often approximately reinterpreted as a statistical bias. Uncertainty propagation methods calculate uncertainty statistics for output quantities of interest using a numerical method (e.g. deterministic quadrature, sampling, etc.) thus incurring UQ (Uncertainty Quantification) numerical errors. Importance of quantifying these errors in large scale scientific computing: How accurate is an output statistic?; How should additional computational resources be invested to further reduce the error in a statistic?

Posteriori↗

NASA NTRSDate not supplied

Comparisons Between NO PLIF Imaging and CFD Simulations of Mixing Flowfields for High-Speed Fuel Injectors

The current work compares experimentally and computationally obtained nitric oxide (NO) planar laser-induced fluorescence (PLIF) images of the mixing flowfields for three types of high-speed fuel injectors: a strut, a ramp, and a rectangular flushwall. These injection devices, which exhibited promising mixing performance at lower flight Mach numbers, are currently being studied as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center. The EIMP aims to investigate scramjet fuel injection and mixing physics, and improve the understanding of underlying physical processes relevant to flight Mach numbers greater than eight. In the experiments conducted in the NASA Langley Arc-Heated Scramjet Test Facility (AHSTF), the injectors are placed downstream of a Mach 6 facility nozzle, which simulates the high Mach number air flow at the entrance of a scramjet combustor. Helium is used as an inert substitute for hydrogen fuel. Both schlieren and PLIF techniques are applied to obtain mixing flowfield flow visualizations. The experimental PLIF is obtained by using a UV laser sheet to interrogate a plane of the flow by exciting fluorescence from the NO molecules that are present in the AHSTF air. Consequently, the absence of signal in the resulting PLIF images is an indication of pure helium (fuel). The computational PLIF is obtained by applying a fluorescence model for NO to the results of the Reynolds-averaged simulations (RAS) of the mixing flowfield carried out using the VULCAN-CFD solver. This approach is required because the PLIF signal is a nonlinear function of not only NO concentration, but also pressure, temperature, and the flow velocity. This complexity allows additional flow features to be identified and compared with those obtained from the computational fluid dynamics (CFD) simulations, however, such comparisons are only semiquantitative. Three-dimensional image reconstruction, similar to that used in magnetic resonance imaging, is also used to obtain images in the streamwise and spanwise planes from select cross-stream PLIF plane data. Synthetic schlieren is also computed from the RAS data. Good agreement between the experimental and computational results provides increased confidence in the CFD simulations for investigations of injector performance.

PLIF↗

NASA NTRSDate not supplied

CFD Comparisons with Updated NASA Juncture Flow Data

The purpose of the NASA Juncture Flow experiment is to acquire high-quality flowfield details deep in the corner of a wing-body junction specifically for the purpose of CFD validation. A second phase of testing was recently completed, which includes both laser doppler velocimetry and particle image velocimetry measurements. This paper describes the recent experiment and its results. It also makes detailed comparisons between the experimental data and a new version of a widely-used CFD turbulence model for Reynolds-averaged Navier-Stokes, which was recently developed to improve separated corner flow predictions. The CFD results generally produce very good qualitative agreement with the experiment, although they are less accurate inside of the separation region, as expected.

Experimental Data↗

NASA NTRSDate not supplied

CFD Validation Experiments: Toward a Broader Perspective

The current literature considers a CFD validation experiment synonymously with a particular type of wind tunnel test. By drawing on the experience of the authors, this paper makes a case for broadening the definition to include a more balanced and synergistic exploitation of computational and physical testing techniques. The concept of validation dialog is introduced which, together with technique verification, is considered a key enabler in the pursuit of an improved CFD predictive capability. An outline of a lifecycle for a CFD validation experiment is also proposed to consolidate the thinking. The result, it is reasoned, will encourage improved engagement with a broader range of stakeholders and wider recognition of the value of the outcomes of what might otherwise be considered studies of lesser importance. In turn, this is expected to encourage the adoption of more systematic approaches to complex problems, such that they are more readily broken down into smaller, more focused endeavors, while at the same time making such activities easier to fund.

CFD↗

NASA NTRSDate not supplied

CFD2030 Grand Challenge: CFD-in-the-Loop Monte Carlo Simulation for Space Vehicle Design

Space vehicle design and certification differs widely from aircraft design relying more on probabilistic approaches than deterministic. Monte Carlo simulation plays an important role in the probabilistic design of space vehicles to ensure robust and reliable operation. Today, Monte Carlo flight simulation requires 1000’s of trajectory simulations that use databases to provide aerosciences models. These databases can be extremely expensive and time consuming to develop. Replacing these databases with unsteady computational fluid dynamics directly in the simulation loop has potential to significantly reduce the time required to analyze space vehicle concepts, improve simulation accuracy, and reduce the cost of space vehicle development. The CFD Vision 2030 Study outlined gaps and roadblocks to meeting the vision described in the study. The geometric, physical, and computational challenges associated with CFD-in-the-loop Monte Carlo simulation for space vehicle design are substantial and serve as an excellent grand challenge to advance the CFD 2030 vision.

CFD2030↗

NASA NTRSDate not supplied

Comparisons Between NO PLIF Imaging and CFD Simulations of Mixing Flowfields for High-Speed Fuel Injectors

PLIF↗

NASA NTRSDate not supplied

Vision 2030 Aircraft Propulsion Grand Challenge Problem: Full-engine CFD Simulations with High Geometric Fidelity and Physics Accuracy

2014 NASA published the outcome of the 2030 CFD (Computational Fluid Dynamics) Vision study: “CFD Vision 2030: A path to Revolutionary Computational Aerosciences” . The study provided a comprehensive review of the state of the art of CFD in 2014 for aerospace applications including, but not limited to, numerical algorithms, physics models, MDAO (Multidisciplinary Design Analysis and Optimization) and HPC (High Performance Computing) hardware. The study also proposed four conceptual ideas of Grand Challenge problems that would build on and benefit from advances outlined in the roadmap. The proposed challenges were meant to foster more detailed descriptions of grand challenge problems for specific disciplines. One of the proposed challenges was in the gas turbine propulsion area, focusing on transient full engine simulations. The current paper addresses detailed technical aspects of that challenge, and proposes a plan to approach it in a gradual manner, which includes high fidelity modeling of components, component coupling, and targeted experimental campaigns relying on common research models.

turbine engine↗

NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shockwave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantification↗

NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shock wave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantifications↗

NASA NTRSDate not supplied

Attitude Reconstruction of Free-Flight CFD Generated Trajectories Using Non-Linear Pitch Damping Coefficient Curves

Attitude history reconstruction of Free-flight CFD generated trajectories with non-linear pitch damping coefficient curves is investigated. Free-flight CFD simulations of the capsule shape used for the Genesis sample return mission and the upcoming Dragonfly mission to Titan are conducted for 1-, 2-, and 3-degree-of-freedom cases. Two different data reduction methodologies are employed to derive a pitch damping curve as a function of instantaneous angle of attack. These curves are then used to reconstruct the attitude history of the body which is compared to the raw simulation results. While both data reduction methods produce pitch damping curves that can generally reconstruct the motion seen in the Free-flight simulations, it is found that optimization of the pitch damping curve using an inverse estimation process yields superior and more generalizable results. Further refinement of this technique could allow pitch damping curves derived using CFD to serve as a capability complementary to existing techniques for dynamic stability characterization.

entry↗

NASA NTRS2022

VULCAN-CFD User Manual: Ver. 7.2.0

VULCAN-CFD offers a comprehensive set of capabilities to enable the simulation of continuum flowfields from subsonic to hypersonic conditions. The governing equations that are employed include allowances for both chemical and thermal nonequilibrium processes, coupled with a wide variety of turbulence models for both Reynolds-averaged and large eddy simulations. The software package can simulate two-dimensional, axisymmetric, or three-dimensional problems on structured multiblock meshes or fully unstructured meshes. A parabolic (i.e., space-marching) treatment can also be used for any subset of a structured mesh that can accommodate this solution strategy. The flow solver provides a significant level of geometric flexibility for structured grid simulations by allowing for arbitrary face-to-face C(0) continuous and non-C(0) continuous block interface connectivities. The unstructured grid paradigm allows for mixed element unstructured meshes that contain any combination of tetrahedral, prismatic, pyramidal, and hexahedral cell elements. The flow solver is also fully parallelized using MPI (Message Passing Interface) libraries in a data-parallel fashion, allowing for efficient simulations on modern High Performance Computing (HPC) systems. This document provides information related to the installation and execution of the VULCAN-CFD software package. A detailed description of the physical and numerical models available in the software are provided in the VULCAN-CFD Theory Manual.

VULCAN-CFD User Manual↗

NASA NTRSDate not supplied

Validation of CFD Model Prediction of Flow Boiling Regime Transitions during LN2 Line Chilldown

Propellant storage and transfer during future long-duration missions will involve fuel depot operations in which a donor depot tank is used to fill a receiver spacecraft tank with a cryogenic propellant. Prior to the on-Orbit filling operation both the receiver tank and the transfer line must be cooled. The line chilldown process involves transition between boiling regimes in microgravity that will be quite different from their 1g ground-based counterparts. Since the cryogenic propellant itself will be used to perform the chilldown process, the time constants to cool the wall and the amount of fuel that will be used become important design considerations. In this light, the focus of the present work is to understand the flow boiling characteristics of a cryogenic fluid, namely, liquid nitrogen, during the chill-down of a transfer line using CFD modelling and simulations. The cryogenic chill-down process involves different flow boiling regimes: film boiling, transition boiling and nucleate boiling. The prediction of transition between these regimes in a CFD framework is new and challenging. The present work addresses this challenge by employing a volume-of-fluid (VOF) based methodology with Lee phase change model to predict the film boiling regime of the chill-down process in ANSYS Fluent®. The transition and nucleate boiling regimes are predicted by incorporating a sub-grid model developed by Craft Tech that accounts for bubble nucleation, growth, shedding frequency, and departure diameter. The sub-grid model is implemented into Fluent via a user-defined function for wall-fluid heat flux calculations. The sub-grid model is similar in formulation to the well-known Rensselaer Polytechnic Institute (RPI) boiling model. The model constants are tested for different operating conditions and designated values are reported. The CFD model is validated against published experimental data for liquid nitrogen chill-down of a heated stainless-steel pipe in 1g. Predicted results showing good agreement of wall temperature, rewetting temperature, and transition between film and nucleate boiling with the experimental measurements are presented and discussed.

Boiling regimes↗

NASA NTRSDate not supplied

Strategies for the GPU Implementation of the OVERFLOW CFD Code

Wondering how to port a large, computational fluid dynamics (CFD) solver, written in Fortran, to run effectively on GPUs? Join this talk to learn about the strategies NASA’s OVERFLOW CFD code has used to effectively utilize GPUs to greatly improve the time to solution compared to CPUs. OVERFLOW is an overset, structured grid, computational fluid dynamics (CFD) flow solver developed by NASA and widely used by government, US industry, and academia. It is known for its effective use of CPU hardware, but this talk will discuss recent efforts to modify the code to run efficiently on GPUs. We will describe our use of OpenACC, CUDA Fortran, and CUDA C++, discussing why and how we use each to map our problem onto NVIDIA GPUs. We will also describe structural changes we made in the code to expose enough parallelism to effectively use the GPU hardware. Finally, we will present the performance benefits from running OVERFLOW on GPUs compared to the well optimized CPU version of the code.

GPU Programming↗

NASA NTRSDate not supplied

Steady-state RANS Pretest CFD Comparisons for the SWiFT NTF Test

The NATO AVT-298 research program has been underway for seven years to improve the understanding of the full-scale aerodynamics for moderately-swept hybrid wing-bodies found on future civil and military configurations and how this differs from what is measured with low Reynolds number wind tunnel testing or predicted with Computational Fluid Dynamics (CFD). Toward this effort, a hybrid wing-body configuration, known as Swept Wing Flow Test (SWiFT), was designed and tested in the Aircraft Research Association (ARA) and NASA Langley National Transonic Facility (NTF) wind tunnels. This presentation summarizes comparisons between the NTF wind tunnel data and a series of pretest CFD computations generated using steady-state Reynolds-averaged Navier-Stokes (RANS) simulations from participants representing seven institutions using nine separate flow solvers. The objective of this research was to assess the effectiveness of state-of-practice CFD methods in predicting the aerodynamics of swept wing aircraft and identify recommended areas of improvement to the methods themselves. Computational force and moment data will be presented for a series of angle-of-attack and sideslip angle sweeps over a range of Reynolds numbers at both low-speed and near-cruise Mach numbers, as tested in the NTF experiment.

National Transonic Facility↗