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At least 631 records · Page 35

Computational Fluid Dynamics Analysis Method Developed for Rocket-Based Combined Cycle Engine Inlet

Renewed interest in hypersonic propulsion systems has led to research programs investigating combined cycle engines that are designed to operate efficiently across the flight regime. The Rocket-Based Combined Cycle Engine is a propulsion system under development at the NASA Lewis Research Center. This engine integrates a high specific impulse, low thrust-to-weight, airbreathing engine with a low-impulse, high thrust-to-weight rocket. From takeoff to Mach 2.5, the engine operates as an air-augmented rocket. At Mach 2.5, the engine becomes a dual-mode ramjet; and beyond Mach 8, the rocket is turned back on. One Rocket-Based Combined Cycle Engine variation known as the "Strut-Jet" concept is being investigated jointly by NASA Lewis, the U.S. Air Force, Gencorp Aerojet, General Applied Science Labs (GASL), and Lockheed Martin Corporation. Work thus far has included wind tunnel experiments and computational fluid dynamics (CFD) investigations with the NPARC code. The CFD method was initiated by modeling the geometry of the Strut-Jet with the GRIDGEN structured grid generator. Grids representing a subscale inlet model and the full-scale demonstrator geometry were constructed. These grids modeled one-half of the symmetric inlet flow path, including the precompression plate, diverter, center duct, side duct, and combustor. After the grid generation, full Navier-Stokes flow simulations were conducted with the NPARC Navier-Stokes code. The Chien low-Reynolds-number k-e turbulence model was employed to simulate the high-speed turbulent flow. Finally, the CFD solutions were postprocessed with a Fortran code. This code provided wall static pressure distributions, pitot pressure distributions, mass flow rates, and internal drag. These results were compared with experimental data from a subscale inlet test for code validation; then they were used to help evaluate the demonstrator engine net thrust.

Source record↗

Multi-fidelity information fusion with concatenated neural networks

Recently, computational modeling has shifted towards the use of statistical inference, deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by lowering the computational burden, training deep learning models needs a huge amount of data. This big data is not always available for scientific problems and leads to poorly generalizable data-driven models. This gap can be furnished by leveraging information from physics-based models. Exploiting prior knowledge about the problem at hand, this study puts forth a physics-guided machine learning (PGML) approach to build more tailored, effective, and efficient surrogate models. For our analysis, without losing its generalizability and modularity, we focus on the development of predictive models for laminar and turbulent boundary layer flows. In particular, we combine the self-similarity solution and power-law velocity profile (low-fidelity models) with the noisy data obtained either from experiments or computational fluid dynamics simulations (high-fidelity models) through a concatenated neural network. We illustrate how the knowledge from these simplified models results in reducing uncertainties associated with deep learning models applied to boundary layer flow prediction problems. The proposed multi-fidelity information fusion framework produces physically consistent models that attempt to achieve better generalization than data-driven models obtained purely based on data. While we demonstrate our framework for a problem relevant to fluid mechanics, its workflow and principles can be adopted for many scientific problems where empirical, analytical, or simplified models are prevalent. In line with grand demands in novel PGML principles, this work builds a bridge between extensive physics-based theories and data-driven modeling paradigms and paves the way for using hybrid physics and machine learning modeling approaches for next-generation digital twin technologies.

42 ENGINEERING↗

Experimentation and Modeling of Jet A Thermal Stability in a Heated Tube

High performance aircraft typically use hydrocarbon fuel to regeneratively cool the airframe and engine components. As the coolant temperatures increase, the fuel may react with dissolved oxygen forming deposits that limit the regenerative cooling system performance. This study investigates the deposition of Jet A using a thermal stability experiment and computational fluid dynamics (CFD) modeling. The experimental portion of this study is performed with a high Reynolds number thermal stability (HiRets) tester in which fuel passes though an electrically heated tube and the fuel outlet temperature is held constant. If the thermal stability temperature of the fuel is exceeded, deposits form and adhere to the inside of the tube creating an insulating layer between the tube and the fuel. The HiRets tester measures the tube outer wall temperatures near the fuel outlet to report the effect of deposition occurring inside the tube. Final deposits are also estimated with a carbon burn off analysis. The CFD model was developed and used to simulate the fluid dynamics, heat transfer, chemistry, and transport of the deposit precursors. The model is calibrated to the experiment temperature results and carbon burn-off deposition results. The model results show that the dominant factor in deposition is the heated wall temperature and that most of the deposits are formed in the laminar sublayer. The models predicted a 7.0E-6 kilograms per square meter-sec deposition rate, which compared well to the carbon burn-off analysis deposition rate of 1.0E-6 kilograms per square meter-sec.

Khodabandeh, Julia W.↗

The use of plasma ashers and Monte Carlo modeling for the projection of atomic oxygen durability of protected polymers in low Earth orbit

The results of ground laboratory and in-space exposure of polymeric materials to atomic oxygen has enabled the development of a Monte Carlo computational model which simulates the oxidation processes of both environments. The cost effective projection of long-term low-Earth-orbital durability of protected polymeric materials such as SiO(x)-coated polyimide Kapton photovoltaic array blankets will require ground-based testing to assure power system reliability. Although silicon dioxide thin film protective coatings can greatly extend the useful life of polymeric materials in ground-based testing, the projection of in-space durability based on these results can be made more reliable through the use of modeling which simulates the mechanistic properties of atomic oxygen interaction, and replicates test results in both environments. Techniques to project long-term performance of protected materials, such as the Space Station Freedom solar array blankets, are developed based on ground laboratory experiments, in-space experiments, and computational modeling.

Banks, Bruce A.↗

Aerodynamics of a linear oscillating cascade

The steady and unsteady aerodynamics of a linear oscillating cascade are investigated using experimental and computational methods. Experiments are performed to quantify the torsion mode oscillating cascade aerodynamics of the NASA Lewis Transonic Oscillating Cascade for subsonic inlet flowfields using two methods: simultaneous oscillation of all the cascaded airfoils at various values of interblade phase angle, and the unsteady aerodynamic influence coefficient technique. Analysis of these data and correlation with classical linearized unsteady aerodynamic analysis predictions indicate that the wind tunnel walls enclosing the cascade have, in some cases, a detrimental effect on the cascade unsteady aerodynamics. An Euler code for oscillating cascade aerodynamics is modified to incorporate improved upstream and downstream boundary conditions and also the unsteady aerodynamic influence coefficient technique. The new boundary conditions are shown to improve the unsteady aerodynamic influence coefficient technique. The new boundary conditions are shown to improve the unsteady aerodynamic predictions of the code, and the computational unsteady aerodynamic influence coefficient technique is shown to be a viable alternative for calculation of oscillating cascade aerodynamics.

Buffum, Daniel H.↗

High Fidelity Computational Model for Fluidized Bed Experiments (Final Report)

MFiX was integrated with preconditioners and linear solver packages in Trilinos via MFIX, Fortran, C, and C++ wrappers. The MFIX wrapper interpreted the structure of the matrix and vector from MFiX while the Fortran wrapper transfers this information to a low-level language, C. C-wrapper transforms the memory semantic between Fortran and C++ language. C++ wrapper passes the matrix and vector to a Trilinos package and gets the solution. This solution was transferred to MFiX via C++, C, Fortran, MFIX wrapper. The framework is used to integrate first, second and third generation linear solvers in Trilinos with MFiX.

20 FOSSIL-FUELED POWER PLANTS↗

Modelling the complex evaporated gas flow and its impact on particle spattering during laser powder bed fusion

The additive manufacturing (AM) of metals is becoming an increasingly important production process with the potential to replace traditional techniques such as casting. Laser Powder Bed Fusion (LPBF) is used in many applications to print metal parts from powder. The metal powder is heated locally with sufficient laser radiation that the liquid melt easily reaches its boiling temperature, which leads to a metallic vapour jet that can entrain both powder bed particles and molten droplets. The small size of laser-matter interaction site makes a detailed experimental analysis of the process challenging. Synchrotron X-ray imaging experiments are one of the few methods which can capture the dynamic melting and solidification processes. Comparing such experiments with computer simulations of the process is an important approach in order to better understand the manufacturing process and to analyse the influence of process parameters on the evaporated gas jet and the subsequent impact on particle ejection, leading to potentially reduced AM component quality. The melting and solidification of the metal powder is simulated using an Eulerian multiphase approach based on a control volume discretization of powder bed and substrate and a volume of liquid separation from melt and gas phase. The gas phase modelled as an ideal gas reaches velocities up to 100 m/s. Lagrangian particle tracking in the simulation demonstrates that the velocity fields calculated by the Eulerian multi-phase approach in combination with a standard drag-force model lead to particle accelerations in good agreement with those measured experimentally. In order to avoid numerical laborious Lagrangian calculations, a direct method to compare an Eulerian multiphase simulation with synchrotron X-ray experiments was introduced and validated. This approach is used to analyse the influence of process parameters including laser power and laser speed on the maximal acceleration of particles from the melt pool area. While the particle acceleration increases linearly with line energy in the conduction mode, a linear decrease of the acceleration with increasing line energy can be found in the transition mode before the accel-eration increases again with line energy in the keyhole mode.

36 MATERIALS SCIENCE↗

Rapid determination of supercritical CO 2 and brine relative permeability using an unsteady-state flow method

In this study, relative permeability of supercritical CO 2 (scCO 2 ) and brine was determined in reactive and non-reactive rock cores using a combination of unsteady-state methodology and computed tomography. Experiments were conducted using a medical grade CT scanner to determine saturation using a custom Python script. The saturation and differential pressure across the core were then used to derive four empirical constants to calculate relative permeability. This methodology increases temporal efficiency while reducing experimental complexity. Additionally, we show that the method can be used to determine scCO 2 relative permeability in a wide range of lithologies and flow rates, and with the ability to account for matrix dissolution during scCO 2 flooding.

54 ENVIRONMENTAL SCIENCES↗

Bayesian Conavigation: Dynamic Designing of the Material Digital Twins via Active Learning

Scientific advancement is universally based on the dynamic interplay between theoretical insights, modeling, and experimental discoveries. However, this feedback loop is often slow, including delayed community interactions and the gradual integration of experimental data into theoretical frameworks. This challenge is particularly exacerbated in domains dealing with high-dimensional object spaces, such as molecules and complex microstructures. Hence, the integration of theory within automated and autonomous experimental setups, or theory in the loop-automated experiment, is emerging as a crucial objective for accelerating scientific research. The critical aspect is to use not only theory but also on-the-fly theory updates during the experiment. Furthermore, we introduce a method for integrating theory into the loop through Bayesian conavigation of theoretical model space and experimentation. Our approach leverages the concurrent development of surrogate models for both simulation and experimental domains at the rates determined by latencies and costs of experiments and computation, alongside the adjustment of control parameters within theoretical models to minimize epistemic uncertainty over the experimental object spaces. This methodology facilitates the creation of digital twins of material structures, encompassing both the surrogate model of behavior that includes the correlative part and the theoretical model itself. While being demonstrated here within the context of functional responses in ferroelectric materials, our approach holds promise for broader applications, such as the exploration of optical properties in nanoclusters, microstructure-dependent properties in complex materials, and properties of molecular systems.

Microscopy↗

Head-on parallel blade-vortex interaction

An experimental and computational study was carried out to investigate the parallel head-on blade-vortex interaction (BVI) and its noise generation mechanism. A shock tube, with an enlarged test section, was used to generate a compressible starting vortex which interacted with a target airfoil. The dual-pulsed holographic interferometry (DPHI) technique and airfoil surface pressure measurements were employed to obtain quantitative flow data during the BVI. A thin-layer Navier-Stokes code (BV12D), with a high-order upwind-biased scheme and a multizonal grid, was also used to simulate numerically the phenomena occurring in the head-on BVI. The detailed structure of a convecting vortex was studied through independent measurements of density and pressure distributions across the vortex center. Results indicate that, in a strong head-on BVI, the opposite pressure peaks are generated on both sides of the leading edge as the vortex approaches. Then, as soon as the vortex passes by the leading edge, the high-pressure peak suddenly moves toward the low-peak-reducing in magnitude as it moves--simultaneously giving rise to the initial sound wave. In both experiment and computation, it is shown that the viscous effect plays a significant role in head-on BVIs.

Lee, Soogab↗

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗

Progress Towards Fuselage Drag Reduction via Active Flow Control: A Combined CFD and Experimental Effort

A combined computational and experimental effort has been undertaken to study fuselage drag reduction on a generic, non-proprietary rotorcraft fuselage by the application of active ow control. Fuselage drag reduction is an area of research interest to both the United States and France and this area is being worked collaboratively as a task under the United States/France Memorandum of Agreement on Helicopter Aeromechanics. In the first half of this task, emphasis is placed on the US generic fuselage, the ROBIN-mod7, with the experimental work being conducted on the US side and complementary US and French CFD analysis of the baseline and controlled cases. Fuselage simulations were made using Reynolds-averaged Navier-Stokes ow solvers and with multiple turbulence models. Comparisons were made to experimental data for numerical simulations of the isolated fuselage and for the fuselage as installed in the tunnel, which includes modeling of the tunnel contraction, walls, and support fairing. The numerical simulations show that comparisons to the experimental data are in good agreement when the tunnel and model support are included. The isolated fuselage simulations compare well to each other, however, there is a positive shift in the centerline pressure when compared to the experiment. The computed flow separation locations on the rear ramp region had only slight differences with and without the tunnel walls and model support. For the simulations, the flow control slots were placed at several locations around the flow separation lines as a series of eight slots that formed a nearly continuous U-shape. Results from the numerical simulations resulted in an estimated 35% fuselage drag reduction from a steady blowing flow control configuration and a 26% drag reduction for unsteady zero-net-mass flow control configuration. Simulations with steady blowing show a delayed flow separation at the rear ramp of the fuselage that increases the surface pressure acting on the ramp, thus decreasing the overall fuselage pressure drag.

Schaeffler, Norman W.↗

MERRA Analytic Services: Meeting the Big Data Challenges of Climate Science Through Cloud-enabled Climate Analytics-as-a-service

Climate science is a Big Data domain that is experiencing unprecedented growth. In our efforts to address the Big Data challenges of climate science, we are moving toward a notion of Climate Analytics-as-a-Service (CAaaS). We focus on analytics, because it is the knowledge gained from our interactions with Big Data that ultimately produce societal benefits. We focus on CAaaS because we believe it provides a useful way of thinking about the problem: a specialization of the concept of business process-as-a-service, which is an evolving extension of IaaS, PaaS, and SaaS enabled by Cloud Computing. Within this framework, Cloud Computing plays an important role; however, we it see it as only one element in a constellation of capabilities that are essential to delivering climate analytics as a service. These elements are essential because in the aggregate they lead to generativity, a capacity for self-assembly that we feel is the key to solving many of the Big Data challenges in this domain. MERRA Analytic Services (MERRAAS) is an example of cloud-enabled CAaaS built on this principle. MERRAAS enables MapReduce analytics over NASAs Modern-Era Retrospective Analysis for Research and Applications (MERRA) data collection. The MERRA reanalysis integrates observational data with numerical models to produce a global temporally and spatially consistent synthesis of 26 key climate variables. It represents a type of data product that is of growing importance to scientists doing climate change research and a wide range of decision support applications. MERRAAS brings together the following generative elements in a full, end-to-end demonstration of CAaaS capabilities: (1) high-performance, data proximal analytics, (2) scalable data management, (3) software appliance virtualization, (4) adaptive analytics, and (5) a domain-harmonized API. The effectiveness of MERRAAS has been demonstrated in several applications. In our experience, Cloud Computing lowers the barriers and risk to organizational change, fosters innovation and experimentation, facilitates technology transfer, and provides the agility required to meet our customers' increasing and changing needs. Cloud Computing is providing a new tier in the data services stack that helps connect earthbound, enterprise-level data and computational resources to new customers and new mobility-driven applications and modes of work. For climate science, Cloud Computing's capacity to engage communities in the construction of new capabilies is perhaps the most important link between Cloud Computing and Big Data.

Data Analytics↗

Thermal Design and Flight Experience of the Mars Exploration Rover Spacecraft Computer-Controlled, Propulsion Line Heaters

This paper covers the design, thermal testing and flight experiences with the computer-controlled thermostats on the propulsion line heaters. Flight experience revealed heater control behavior with propellant loaded into the system and during thruster firings that was not observable during system level testing. Explanations of flight behavior, lessons learned, and suggestions for improvement of the propellant line heater design are presented in this paper.

propulsion lines↗

Quantifying how the cis/trans ratio of N,N -dimethyl-3,5-dimethylpiperidinium hydroxide impacts the growth kinetics, composition and local structure of SSZ-39

This work integrates experiments and computational methods to quantify how the cis/trans ratio of the OSDA used in SSZ-39 synthesis impacts the crystallization kinetics, material properties, and final product composition. The crystallization kinetics increase by 30% when increasing the trans isomer content from 14% to 80%. Per prior work, in all cases based on the synthesis gel composition and product yield aluminum is the limiting reagent, and the absence of any amorphous material detected in the time resolved PXRD studies leads us to conclude that FAU dissolution is the rate limiting step in the formation of SSZ-39 in this synthesis protocol. The TGA and NMR results suggest that the trans isomer of OSDA is selectively incorporated into the product. The NMR binding studies, and corresponding DFT-based results show that the trans isomer binds to FAU more strongly than the cis isomer, providing one possible explanation for this enhancement in kinetics and preferential uptake of the trans isomer. The EDS analysis indicates that the Si/Al ratios are between 7.7 and 8.6 at low and high trans OSDA content, indicating zeolite composition is mildly sensitive to the trans isomer content. EDS results show this decrease in aluminum content leads to a corresponding decrease in sodium uptake. DFT-based calculations confirm OSDA–sodium interactions cannot explain any decrease in sodium uptake, reinforcing lower aluminum content as the cause of lower sodium uptake. Preliminary cobalt titration experiments show a surprisingly low cobalt uptake but also show a clear dependence of the cobalt uptake on the solution pH.

Cui, Zheng [Tulane University, New Orleans, LA (Un↗

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗

Data Science and Computation for Rapid and Dynamic Compression Experiment Workflows at Experimental Facilities (Workshop Overview) [Slides]

Motivation for this workshop stems from these items: Compression experiments are important to LANL's core mission. The scientific community is sometimes frustrated at the pace of discovery. Data analytics for other experimental regimes are advancing. Now is the time as facilities are upgraded and coming online. Advances in data analytics and computational resources could push compression experiment discoveries to a new level.

97 MATHEMATICS AND COMPUTING↗

Computing for the DUNE Long-Baseline Neutrino Oscillation Experiment

This is a talk given at Computers in High Energy Physics in Adelaide, South Australia, Australia in November 2019. It is partially intended to explain the context of DUNE Computing for computing specialists. The DUNE collaboration consists of over 180 institutions from 33 countries. The experiment is in preparation now with commissioning of the first 10kT fiducial volume Liquid Argon TPC expected over the period 2025-2028 and a long data taking run with 4 modules expected from 2029 and beyond. An active prototyping program is already in place with a short test beam run with a 700T, 15,360 channel prototype of single-phase readout at the neutrino platform at CERN in late 2018 and tests of a similar sized dual-phase detector scheduled for mid-2019. The 2018 test beam run was a valuable live test of our computing model. The detector produced raw data at rates of up to ~2GB/s. These data were stored at full rate on tape at CERN and Fermilab and replicated at sites in the UK and Czech Republic. In total 1.2 PB of raw data from beam and cosmic triggers were produced and reconstructed during the six week test beam run. Baseline predictions for the full DUNE detector data, starting in the late 2020's are 30-60 PB of raw data per year. In contrast to traditional HEP computational problems, DUNE's Liquid Argon TPC data consist of simple but very large (many GB) 2D data objects which share many characteristics with astrophysical images. This presents opportunities to use advances in machine learning and pattern recognition as a frontier user of High Performance Computing facilities capable of massively parallel processing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗