SEARCH · Engineering Papers
Results for “REACTIVITY”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Case of acquired reactive perforating collagenosis induced by panitumumab for colon cancer
Not Available
Ultra-High Temperature Thermal Conductivity Measurements of a Reactive Magnesium Manganese Oxide Porous Bed Using a Transient Hot Wire Method
Pelletized magnesium manganese oxide shows promise for high temperature thermochemical energy storage. It can be thermally reduced in the temperature range between 1250 °C and 1500 °C and re-oxidized with air at typical gas-turbine inlet pressures (1–25 bar) in the temperature range between 600 °C and 1500 °C. The combined thermal and chemical volumetric energy density is approximately 2300 MJ/m3. The rate at which a thermochemical storage module can be charged is limited by heat transfer inside the solid packed bed. Hence, the effective thermal conductivity of packed beds of magnesium-manganese oxide pellets is a crucial parameter for engineering Mg-Mn-O redox storage devices. We have measured the effective thermal conductivity of a packed bed of 3.66 ± 0.516 mm sized magnesium manganese oxide (Mn to Mg molar ratio of 1:1) pellets in the temperature range of 300–1400 °C. Since the material is electrically conductive at temperatures above 600 °C, the sheathed transient hot wire method is used for measurements. Raw data is analyzed using the Blackwell solution to extract the bed thermal conductivity. The effective thermal conductivity standard deviation is less than 10% for a minimum of three repeat measurements at each temperature. Experimental results show an increase in the effective thermal conductivity with temperature from 0.50 W/m °C around 300 °C to 1.81 W/m °C close to 1400 °C. We propose a dual porosity model to express the effective thermal conductivity as a function of temperature. This model also considers the effect of radiation within the bed, as this is the dominant heat transfer mode at high temperatures. The proposed model accounts for microscale pellet porosity, macroscale bed porosity, pellet size, solid thermal conductivity (phonon transport), and radiation (photon transport). The coefficient of determination between the proposed model and the experimental results is greater than 0.90.
Operando XPS in reactive plasmas: The importance of the wall reactions
In this article, advancements in differential pumping and electron optics over the past few decades have enabled x-ray photoelectron spectroscopy (XPS) measurements at (near-)ambient pressures, bridging the pressure gap for characterizing realistic sample chemistries. Recently, we have demonstrated the capabilities of an ambient pressure XPS setup for in situ plasma environment measurements, allowing plasma-surface interactions to be studied in operando rather than using the traditional before-and-after analysis approach. This new “plasma-XPS” technique facilitates the identification of reaction intermediates critical for understanding plasma-assisted surface processes relevant to semiconductor nanomanufacturing, such as physical vapor deposition, etching, atomic layer deposition, and many other plasma applications. In this paper, we apply the plasma-XPS approach to monitor real-time surface chemical changes on a model Ag(111) single crystal exposed to oxidizing and reducing plasmas. We correlate surface-sensitive data with concurrent gas-phase XPS measurements and residual gas mass-spectrum analysis of species generated during plasma exposure, highlighting the significant role of plasma-induced chamber wall reactions. Ultimately, we demonstrate that plasma-XPS provides comprehensive insights into both surface and gas-phase chemistry, establishing it as a versatile and dynamic characterization tool with broad applications in microelectronics research. Finally, we outline potential enhancements and future metrology directions to advance plasma-XPS investigations further.
Pulsed radio frequency power modulation for profile control in cryogenic reactive ion etching of silicon gratings
Cryogenic silicon etching with SF 6 /O 2 plasmas enables vertical sidewalls and smooth surfaces for high–aspect-ratio structures, yet precise control of etched profiles (sidewall angle, lateral etching, and linewidth retention) remains challenging under continuous-wave excitation due to coupling among radical fluxes, ion energy distributions, and in situ passivation dynamics. In this work, we investigated pulsed radio frequency bias delivery as a process knob for profile control during cryogenic silicon etching. Systematic experiments on 500 nm-wide, 1 μm-pitch gratings etched to 0.8–1.1 μm depth at 0.5–2 kHz pulsing frequency and 25%–75% duty cycle revealed strong dependencies of etch rate, linewidth, and sidewall angle on modulation conditions. We proposed a conceptual kinetic picture combined with feature-scale electrostatic analysis to understand the alternation of ion-driven etching and passivation recovery between on/off segments and local electric field shaping and modulation of ion trajectories within the trench. Moderate duty cycles (50%–75%) near 1 kHz achieved a balance between anisotropy and etch rate. These results demonstrate pulsed-bias modulation can be utilized to tune directionality and sidewall preservation in cryogenic SF 6 /O 2 etching, which are relevant to photonic, metrology, and quantum device fabrication.
A conserved glycan motif induces broadly reactive functional antibodies against the zoonotic pathogen Streptococcus suis
Streptococcus suis is a largely neglected but emerging bacterial zoonotic pathogen of global concern for animal welfare, antibiotic resistance development, and human health. No effective vaccines are now available. Here, we identified and characterized the function and structure of two cell wall polysaccharide variants in pathogenic S. suis strains using genetic deletion and (heterologous) complementation, lectin staining, glycan composition analysis, and specialized NMR spectroscopy. Both glycan variants were anionic polymers that differed in the presence of glucose in the side chain as a result of allelic variation in a glycosyltransferase gene. Deletion of this variable glycosyltransferase revealed an identical glycan “core” and affected S. suis morphology and lysozyme resistance. Immunization of pigs with this core domain elicited antibodies that recognized antigenically diverse pathogenic S. suis strains and induced complement deposition on encapsulated pathogenic S. suis strains. This study provides valuable insights for developing next-generation glycoconjugate vaccines, whereby a single-glycan target could protect against the emerging zoonotic pathogen S. suis.
Reactivity of the Hydrated Electron
Hydrated electrons are created in virtually every radiation environment and in many photochemical or electrochemical environments where liquid water is present, so their reaction products and reaction rate constants are naturally important in applications. Thanks to the strong optical absorbance of (e - ) aq , these rate constants are easy to measure, and a large database has been accumulated. It is not generally appreciated that no working theory of hydrated electron reaction rates presently exists. We discuss key experimental observations of hydrated electron reactions in the context of recent progress in theoretical and simulation developments toward understanding them, made possible by ever increasing computational power.
Electrochemical Reactivity of Hydrogen Storage Materials: Exploring Borohydride and Hydrazinium Salt Mixtures
Electrochemical characterization of hydrogen storage materials was conducted in a non-aqueous environment to investigate the direct electrochemical release and consumption of hydrogen and the potential for regeneration. We first address the challenge of minimal solubility of the synthetic precursors, sodium borohydride (NaBH 4 ) and hydrazinium bromide (N 2 H 5 Br), in both organic and inorganic solvents. We next determine and calibrate a reference electrode formulation compatible with our non-aqueous media and analytes that demonstrates a stable reference potential. We employ cyclic voltammetry (CV) to characterize the precursors and mixtures thereof. Each CV peak is assigned to a corresponding electrochemical reaction. Using the rate-dependent CV method and Randles–Ševčík equation, we calculate the diffusion coefficient of each chemical (NaBH 4 and N 2 H 5 Br). Analysis of the CVs, coupled with 11B NMR analysis, reveals a room temperature chemical transformation of NaBH 4 and N 2 H 5 Br mixtures into hydrazine borane (N 2 H 4 BH 3 ). These results are particularly significant, considering the limited information available on the electrochemical characterization of metal borohydride and hydrazinium salt in non-aqueous media. This work establishes a foundation for adapting a non-aqueous electrochemical system to further study the borohydride family of chemistries and to design and develop electrochemical devices for direct electrical and chemical energy interconversion with hydrogen storage materials.
Bridging Scales to Model Reactive Diffusive Transport in Porous Media
Published by ECS. Two novel scale-bridging algorithms to model reaction-diffusion transport in porous media are presented. The algorithms are based on direct numerical simulations and couple the information of a micro-scale model, which accounts for the large field of view provided by micro X-ray computed tomography (X-ray CT), and a nano-scale model, which locally resolves transport in the fine structure extracted from nano X-ray CT. The micro-scale model is discretized in the through-plane direction into a 1D grid, where effective properties and internal boundaries are determined based on the results from the nano-scale model. The validated algorithms are used to examine transport of oxygen in precious group metal-free electrodes considering both zero- and first-order kinetics. Unlike conventional methods, the results show that the effective diffusivity is not a passive property but increases in regions where the reaction-rate coefficient is large. The proposed algorithms account for the multiscale coupling of reaction-diffusion transport and material microstructure, thus improving the predictions compared to conventional methods.
Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks
Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.
Continuous surface-to-distributed acoustic sensor snapshots explain reactivation of individual natural fractures during an unconventional reservoir stimulation
ABSTRACT Fiber-optic sensing technologies allow petroleum engineering teams to detect hydraulic fracture interaction with boreholes during unconventional reservoir stimulation. In combination with high-repeatability seismic sources, the same distributed acoustic sensors (DASs) enable vertical seismic profiling (VSP) of the fracture evolution away from the boreholes. We discovered clear signatures of seismic scattering on activated fractures during nine days of continuous seismic monitoring of the fracturing stages at the Austin Chalk/Eagle Ford Field Laboratory. The present study applies a novel approach for quantitative analysis of the scattering events in terms of the evolution of the geometry and elastic stiffness of individual fractures. Our characterization strategy sequentially refines the fracture models: from a stack of 1D soft layers to 3D rectangular inclusions. First, we estimate the number of fracture locations and reflectivity using a modified sparse-spike deconvolution of the stacked VSP traces. The fracture set consists of five fractures spaced by 15–30 m with a reflectivity of approximately 1%. Then, we develop a scattering integral method to refine these estimates along with an inversion of the fracture top and bottom for each monitoring vintage. We find that, initially, some of the fractures are located above the monitoring fiber with the height of approximately 100 m. Then we integrate the seismic interpretation with the low-frequency DAS and pressure and microseismic monitoring to reconstruct the activation process of the fractures. Most likely, some of the natural fractures slowly grew downward to the monitoring fiber as a result of fluid injections in the stimulated well. This led to bright strain anomalies but did not trigger seismicity. The top of the fractures remained almost constant and were limited by a lithologic boundary/stress barrier. To our knowledge, this is the first time VSP data enabled tracking of the fracture evolution with such high spatial and temporal resolution, which was previously only available for crosswell surveys and at a much smaller scale.
SCALE Analyses for Inventory and Reactivity Analysis as Part of the Hermes 2021 PSAR Review
Explore the source record for details and available documents.
Impact of Spatial Mesh Resolution on Beryllium Poison Production and End-of-Cycle Reactivity in HFIR
Explore the source record for details and available documents.
Analysis of Microseismicity and Reactivated Fault Size to Assess the Potential for Felt Events by CO 2 Injection in the Illinois Basin
The results of monitoring of carbon dioxide (CO 2 ) injection at the Illinois Basin—Decatur Project (IBDP) and the companion Illinois Industrial Carbon Capture and Sequestration Sources (IL-ICCS) project—have shown that reservoir response to fluid pressure changes can vary significantly at different injection locations within the same reservoir. Predrill reservoir characterization is important to identify potentially seismogenic faults. However, interpretations of newly reprocessed 3D seismic reflection data illustrate the challenges related to their identification in a region dominated by faulting with small vertical offsets. Faults interpreted in the 3D seismic volume range from ~300 to 1200 m wide and are in the same size range as faults that could have been the source of historical events up to Mw 2.7 in central Illinois. The array of monitoring sensors that was installed for the IBDP continues to collect data, as injection operates in IL-ICCS, the second injection well. CO 2 injection rates for the IL-ICCS well are on average 1.7 times the rates injected in the IBDP well, but a significantly reduced rate of induced seismicity is observed. This article presents results of passive seismic monitoring for the duration of the project to date, integrating active and passive seismic data to develop a new interpretation of the subsurface structure at the Decatur site that explicitly identifies pathways for fluid flow into the basement leading to induced seismicity, and provides a geological explanation for the sharp reduction of induced seismicity during injection at higher rates into the second well. The use of seismic moment to estimate the length of seismogenic slip planes in the local subsurface suggests that faults large enough to produce felt seismicity are unlikely to be present at or near the Decatur site.
A reactive ferroelectric tuner for microphonics compensation
Jefferson Lab (JLab) is actively pursuing an extensive research program focused on developing advanced Nb₃Sn superconducting technology for particle accel-eration. Due to the brittle nature of Nb₃Sn coatings, a Ferroelectric Tuner (FRT) currently represents the most viable approach for microphonics compensation in these next-generation cavities. We suggest a novel, fast-responding FRT integrated directly into the main coupler, eliminating the need for an additional RF port. Leveraging a unique RF design based on a magic-T configuration, this advanced FRT will enable micro-phonics compensation in the ±30 Hz range without undesirable changes to the external quality factor.
Improving Gas Reactor Design with Complex Non-Standard Reaction Mechanisms in a Reactive Flow Model
Fluorinated gases are critical to a number of high-technology industries including semiconductor manufacturing and related processes such as flat panel display, LED, and photovoltaic manufacturing. These fluorinated gases have very high global warming potentials (GWPs) and, unfortunately are chemically very stable, in some cases lasting for thousands of years in the atmosphere. For environmental reasons, it is imperative that the release of these gases be minimized, but existing methods to destroy them requires a significant amount of energy. The goal of this project was to develop a more energy efficient method of destroying these high GWP gases using computational fluid dynamics, but the computational requirements are significant. In this project, we bring together resources available at the national labs, including high-performance computing hardware and modern computational methods, in order to explore an industrially important problem with key environmental and economic impact. In this project, we examined the state-of-the-art models for the physical processes involved, and made subtle changes to arrive at alternative formulations considerably better suited for computation and study. We examined several representative scenarios and developed a set of analyses techniques and tools that could be used to explore the systems in much greater detail. This exploratory project has demonstrated to ALZETA that HPC can indeed provide a unique view into their complex engineering problem - one that is simply inaccessible by any other means. The tools allow us to explore the details of the chemical process, and allow one to construct "what-if" scenarios to address shortcomings of the physical device in its current operating modes. However, as with many sources of completely new information, many new questions are illuminated with this capability. It will take considerable time, effort and experience before we learn to probe the solutions, pose operating scenarios and confirm modifications to the device that lead to real engineering advances.