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This talk introduced our research on developing sensing materials for harsh environmental applications. By combining first-principles density functional theory simulations with AI/ML approach, we have established a sensor database which can predict candidate materials at given operating conditions.
The ability to measure emissions from aeronautic engines and in commercial applications such as automotive emission control and chemical process monitoring is a necessary first step if one is going to actively control those emissions. One single sensor will not give all the information necessary to determine the chemical composition of a high-temperature, harsh environment. Rather, an array of gas sensor arrays--in effect, a high-temperature electronic "nose"--is necessary to characterize the chemical constituents of a diverse, high-temperature environment, such as an emissions stream. The signals produced by this nose could be analyzed to determine the constituents of the emission stream. Although commercial electronic noses for near-room temperature applications exist, they often depend significantly on lower temperature materials or only one sensor type. A separate development effort necessary for a high-temperature electronic nose is being undertaken by the NASA Glenn Research Center, Case Western Reserve University, Ohio State University, and Makel Engineering, Inc. The sensors are specially designed for hightemperature environments. A first-generation high-temperature electronic nose has been demonstrated on a modified automotive engine. This nose sensor array was composed of sensors designed for hightemperature environments fabricated using microelectromechanical-systems- (MEMS-) based technology. The array included a tin-oxide-based sensor doped for nitrogen oxide (NOx) sensitivity, a SiC-based hydrocarbon (CxHy) sensor, and an oxygen sensor (O2). These sensors operate on different principles--resistor, diode, and electrochemical cell, respectively--and each sensor has very different responses to the individual gases in the environment. A picture showing the sensor head for the array is shown in the photograph on the left and the sensors installed in the engine are shown in the photograph on the right. Electronics are interfaced with the sensors for temperature control and signal conditioning, and packaging designed for high temperatures is necessary for the array to survive the engine environment.
The carbon wall oxidation technique coupled with a CFD technique was employed to study the flow in the expanding crack channel caused by the oxidation of the channel carbon walls. The recessing 3D surface morphing procedure was developed and tested in comparison with the arcjet experimental results. The multi-block structured adaptive meshing was used to model the computational domain changes due to the wall recession. Wall regression rates for a reinforced carbon-carbon (RCC) samples, that were tested in a high enthalpy arcjet environment, were computationally obtained and used to assess the channel expansion. The test geometry and flow conditions render the flow regime as the transitional to continuum, therefore Navier-Stokes gas dynamic approach with the temperature jump and velocity slip correction to the boundary conditions was used. The modeled mechanism for wall material loss was atomic oxygen reaction with bare carbon. The predicted channel growth was found to agree with arcjet observations. Local gas flow field results were found to affect the oxidation rate in a manner that cannot be predicted by previous mass loss correlations. The method holds promise for future modeling of materials gas-dynamic interactions for hypersonic flight.
Robust gas sensors that offer real-time feedback about combustion in coal-fired power plants promise greater energy efficiency with fewer harmful emissions while also improving the bottom line for power generators. Currently, no technology meets this objective. Therefore, the objectives of this project are to develop an accurate, robust, reliable, high temperature sensor offering near real-time feedback to plant operators using a novel catalytic/non-catalytic sensor design to detect target gases available for oxidization. Such a sensor would inform power plant operators how to adjust the amount of fuel and air for an optimal performance.
Hypersonic transition poses a special challenge for direct numerical simulations. Comparable data from Wind-tunnel tests or free-flight testing are not available or not accurate enough for comparison. The wind-tunnel testing does not allow for the exact match to the free-flight conditions at such high Mach-numbers. Flat-plate boundary-layer transition at high Mach-numbers is investigated in this work. A simulation case was chosen where chemical non-equilibrium plays an important role but ionization can be neglected. The chosen case at an altitude of H=50Km lies close to one point on the descent path of the Space Shuttle. The failure of the Space Shuttle has shown that an improved vehicle for space transportation is imperative in the close future. Transition research for an improved space-transportation vehicle is crucial in order to estimate the heat load during re-entry.
Pulsed thermocouple systems can be used to measure gas temperatures above the melting point of the thermocouple by various techniques of short term of intermittent exposure of the thermocouple operating at lower temperatures. An approach is described which uses a thermocouple cooled by a small jet of inert gas. When a measurement is to be made, the cooling jet is turned off and the thermocouple allowed to heat up to near its melting point, at which time the cooling is reapplied. The final temperature which the thermocouple should have attained is then calculated by extrapolating an exponential curve fit to the data. Temperature measurements can be recorded and displayed in near real time by using modern high-speed computing systems to perform these calculations. Examples of the technique applied to high temperature jet engine combustor development are presented.
Pulsed thermocouple systems can be used to measure gas temperatures above the melting point of the thermocouple by various techniques of short term or intermittent exposure of the thermocouple operating at lower temperatures. This paper describes an approach which uses a thermocouple cooled by a small jet of inert gas. When a measurement is to be made, the cooling jet is turned off and the thermocouple allowed to heat up to near its melting point, at which time the cooling is reapplied. The final temperature which the thermocouple should have attained is then calculated by extrapolating an exponential curve fit to the data. Temperature measurements can be recorded and displayed in near real time by using modern high-speed computing systems to perform these calculations. Examples of the technique applied to high temperature jet engine combustor development are presented.
Understanding the temperature dependence of functional properties of sensing materials is vital for their applications in combustion environments. The electron-phonon coupling that derives the electronic structure change with temperatures is a key property of interest as it affects other sensing responses. Herein, we first assess the temperature dependence of band gap renormalization in sensing materials by employing Allen-Heine-Cardona (AHC) theory with density functional theory (DFT) simulations corroborated with experimental observation. As the AHC calculations are impractical for high-throughput screening of materials, we employ data-driven Gaussian process regression to predict the parameters employed in the O’Donnell empirical model from a set of physical features. To mitigate the reliability issues arising from the small size of the dataset, we apply a Bayesian technique to improve the generalizability of the data-driven models as well as to quantify the uncertainty associated with theoretical predictions. These models capture well the overall trend of the O’Donnell parameters with respect to a reduced feature set obtained by transforming the available physical features. Quantifying the associated uncertainty helps us understand the reliability of the predictions and, therefore, the variation of bandgap as a function of temperature for other novel materials. The predicted candidates from machine learning models are further validated by experiments and DFT calculations.
Accurate modeling of running-in and equilibrium conditions in pebble-bed reactors (PBRs) requires precise microscopic multigroup neutron cross sections. In Griffin, deterministic neutronics calculations rely on multivariate interpolation over large cross section libraries, resulting in significant memory usage and performance bottlenecks. This work, together with a companion paper on Griffin integration, explores reduced-order models (ROMs) to replace interpolation with lightweight surrogates. Several ROM techniques are benchmarked, with deep neural networks (DNNs) demonstrating superior memory efficiency, scalability, and predictive accuracy. A total of 295 DNNs were trained to build a comprehensive isotope library, integrated into Griffin through a custom LibTorch interface for depletion analysis. Initial results demonstrate that DNN-based ROMs drastically reduce memory demands while preserving accuracy, enabling finer tabulations and additional state variables without overhead. In conclusion, the framework also supports online cross section generation and real-time DNN updates through transfer learning, improving fidelity by capturing self-shielding and evolving nuclide compositions during burnup.
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SPIE Photonics West 2021 (Conference), Virtual, March 6-11, 2021
Combined heat and power (CHP) applications have significant environmental and economic benefits that are consistent with the goals of the U.S. Department of Energy (DOE). One area that is currently being studied includes the potential benefits of CHP turbine operation at higher turbine inlet temperatures. Internal cooling concepts enabled by additive manufacturing (AM) are of primary interest. Here, the effectiveness of internal cooling is hindered by many factors such as velocity distribution of the cooling air to the hot surface considering impingement cooling. To simulate cooling air exiting from a series of orifices for internal cooling in an airfoil, a straight smooth wall tubing with multiple side discharging orifices is used and compared to additively manufactured tubing (Ti6Al4V Grade 23) with orifice size and spacing as well as inner and outer diameters identical to the smooth wall tubing. Similar to flow discharging form perforated pipes, the flow discharged from individual orifices along the tubes in this study is found to be nonuniformly distributed, and the horizontal (axial direction) momentum can be observed from the experimental data. Discharge velocities have been measured with two-dimensional (2D) particle imaging velocimetry (PIV) and single element hot wire anemometry. Numerical analysis has also been conducted to predict the velocity distributions along the orifices in the smooth wall and additive manufacturing (AM) tubing, which are inherited with surface roughness. Numerical and measured results in this study are compared, presented, and discussed.
This report details the improvement of pebble bed reactor modeling capabilities in the Pronghorn code in fiscal year 2022. The following accomplishments are reported: Deployment of weakly compressible finite volume formulation to the HTR- PM reference plan model; Enable modeling of stagnant gas gaps in the finite volume formulation; Enable using all Pronghorn correlations available in the finite element version in the finite volume version; Modeling of decay heat in pebble bed reactors; Simplifying the input for multiphysics equilibrium core calculations and significant reduction of execution time; Implementation of advanced correlations developed by the Center of Excellence for Thermal-Fluids Applications in Nuclear Energy . In addition, this report includes a development plan for Pronghorn and associated NEAMS tools for prismatic gas-cooled reactors.
The details of the construction and operation of a gas mixing furnace are presented. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a standard vertical-quench, gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples. The system also contains the highinput impedance electronics necessary for measurements and a simplified version of standard gas mixing apparatus. The calibration and maintenance of the system are discussed.
Contact pyrometer resists effects of heat, vibration, and moisture. New sensor consists of shielded sapphire rod with sputtered layer of precious metal on end. Metal layer acts as blackbody. Emits radiation having known dependence of spectral distribution with temperature of metal and temperature of hot gas flowing over metal. Fiber-optic cable carries radiation from sapphire rod to remote photodetector.