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At least 91 records · Page 5

Machine Learning-Accelerated First-Principles Molecular Dynamics Reveals C–C Coupling Mechanisms toward Ethylene on Cu(100)

Here, the Cu(100) termination has been identified as the most effective facet for converting CO and CO 2 into ethylene. To enhance both the activity and selectivity of ethylene production, we perform machine-learning-accelerated, first-principles molecular dynamics simulations at 298 K in an explicit solvent at pH 7 to elucidate the C–C coupling mechanism─the critical reaction step in forming C 2+ products. Among the six potential C–C coupling pathways, the most feasible are CO* dimerization and CO – CHO* and CHO* – CHO* couplings. Using the computational hydrogen electrode method, we demonstrate that all three pathways are equally accessible at −0.6 V vs RHE. At a potential below −1.0 V vs RHE, the thermodynamic barriers for the CO – CHO* and CHO* – CHO* pathways become negligible. Our computational findings explain the experimental observations, particularly the absence of C 2+ products above −0.4 V vs RHE and the peaks in ethylene production near −0.6 and −1.0 V vs RHE. Since CHO* acts as a key intermediate common to both C–C coupling and CH 4 formation, we propose that suppressing CHO* hydrogenation would inhibit CH 4 pathways, thereby maximizing ethylene selectivity.

CO2 reduction

Search for 2p2h Interactions in the NOνA Near Detector

The physics of 2p2h interactions and their contribution to the NO$\nu$A near detector data are not fully understood. This study attempts to shed some light on these interactions and the accuracy of the models used to simulate them through a search for a specific 2p2h interaction in the NO$\nu$A near detector. By performing an event selection algorithm based on particle identifier algorithms run over reconstructed data, a signal region is created to minimize the background while maximizing the number of 2p2h events where a muon neutrino interacts with a neutron and a proton coupled by a meson exchange current and produces two protons and one muon. In the signal region, separation is found between the signal events and the background in plots of the angles between the protons and the muon. Although a full statistical analysis is not completed in this study, comparing the angle plots for simulation and data shows that the model used to simulate the events reasonably approximates reality and that the near detector data likely includes signal events. Signal events are also identified in event displays, further indicating that there is some contribution of the signal to the overall NO$\nu$A near detector data.

Gable, Kyle

Microwave Kinetic Inductance Detector with Selective Polarization Coupling

A conventional low-noise detector requires a technique to both absorb incident power and convert it to an electrical signal at cryogenic temperatures. This innovation combines low-noise detector and readout functionality into one device while maintaining high absorption, controlled polarization sensitivity, and broadband detection capability. The resulting far-infrared detectors can be read out with a simple approach, which is compact and minimizes thermal loading. The proposed microwave kinetic inductance detector (MKID) consists of three basic elements. The first is the absorptive section in which the incident power is coupled to a superconducting resonator at far-infrared frequency above its superconducting critical frequency (where superconductor becomes normal conductor). This absorber's shape effectively absorbs signals in the desired polarization state and is resonant at the radio frequency (RF) used for readout of the device. Control over the metal film used in the absorber allows realization of structures with either a 50% broadband or 100% resonance absorptance over a 30% fractional bandwidth. The second element is a microwave resonator - which is realized from the thin metal films used to make the absorber as transmission lines - whose resonance frequency changes due to a variation in its kinetic inductance. The resonator's kinetic inductance is a function of the power absorbed by the device. A low-loss dielectric (mono-crystalline silicon) is used in a parallel-plate transmission line structure to realize the desired superconducting resonators. There is negligible coupling among the adjacent elements used to define the polarization sensitivity of each detector. The final component of the device is a microwave transmission line, which is coupled to the resonator, and allows detection of changes in resonance frequency for each detector in the focal plane array. The spiral shape of the detector's absorber allows incident power with two polarizations to couple to the detector equally. A stepped impedance resonator was used that allows the incident power absorbed in the detecting membrane area to be uniformly distributed in the detector's transmission line at the RF readout frequency. This maximizes the sensitivity of the detector. The signal is read out via a frequency multiplexing technique that requires a minimum number of interface transmission lines for readout. This reduces the packaging complexity and coupling to the device's thermal environment.

Wollack, Edward

Leading-edge slat optimization for maximum airfoil lift

A numerical procedure for determining the position (horizontal location, vertical location, and deflection) of a leading edge slat that maximizes the lift of multielement airfoils is presented. The structure of the flow field is calculated by iteratively coupling potential flow and boundary layer analysis. This aerodynamic calculation is combined with a constrained function minimization analysis to determine the position of a leading edge slat so that the suction peak on the nose of the main airfoil is minized. The slat position is constrained by the numerical procedure to ensure an attached boundary layer on the upper surface of the slat and to ensure negligible interaction between the slat wake and the boundary layer on the upper surface of the main airfoil. The highest angle attack at which this optimized slat position can maintain attached flow on the main airfoil defines the optimum slat position for maximum lift. The design method is demonstrated for an airfoil equipped with a leading-edge slat and a trailing edge, single-slotted flap. The theoretical results are compared with experimental data, obtained in the Ames 40 by 80 Foot Wind Tunnel, to verify experimentally the predicted slat position for maximum lift. The experimentally optimized slat position is in good agreement with the theoretical prediction, indicating that the theoretical procedure is a feasible design method.

Olson, L. E.

A Simple, Powerful Method for Optimal Guidance of Spacecraft Formations

One of the most interesting and challenging aspects of formation guidance law design is the coupling of the orbit design and the science return. The analyst's role is more complicated than simply to design the formation geometry and evolution. He or she is also involved in designing a significant portion of the science instrument itself. The effectiveness of the formation as a science instrument is intimately coupled with the relative geometry and evolution of the collection of spacecraft. Therefore, the science return can be maximized by optimizing the orbit design according to a performance metric relevant to the science mission goals. In this work, we present a simple method for optimal formation guidance that is applicable to missions whose performance metric, requirements, and constraints can be cast as functions that are explicitly dependent upon the orbit states and spacecraft relative positions and velocities. We present a general form for the cost and constraint functions, and derive their semi-analytic gradients with respect to the formation initial conditions. The gradients are broken down into two types. The first type are gradients of the mission specific performance metric with respect to formation geometry. The second type are derivatives of the formation geometry with respect to the orbit initial conditions. The fact that these two types of derivatives appear separately allows us to derive and implement a general framework that requires minimal modification to be applied to different missions or mission phases. To illustrate the applicability of the approach, we conclude with applications to two missions: the Magnetospheric Multiscale mission (MMS) , and the Laser Interferometer Space Antenna (LISA).

Hughes, Steven P.

A Tool for the Automated Design and Evaluation of Habitat Interior Layouts

The objective of space habitat design is to minimize mass and system size while providing adequate space for all necessary equipment and a functional layout that supports crew health and productivity. Unfortunately, development and evaluation of interior layouts is often ignored during conceptual design because of the subjectivity and long times required using current evaluation methods (e.g., human-in-the-loop mockup tests and in-depth CAD evaluations). Early, more objective assessment could prevent expensive design changes that may increase vehicle mass and compromise functionality. This paper describes a new interior design evaluation method to enable early, structured consideration of habitat interior layouts. This interior layout evaluation method features a comprehensive list of quantifiable habitat layout evaluation criteria, automatic methods to measure these criteria from a geometry model, and application of systems engineering tools and numerical methods to construct a multi-objective value function measuring the overall habitat layout performance. In addition to a detailed description of this method, a C++/OpenGL software tool which has been developed to implement this method is also discussed. This tool leverages geometry modeling coupled with collision detection techniques to identify favorable layouts subject to multiple constraints and objectives (e.g., minimize mass, maximize contiguous habitable volume, maximize task performance, and minimize crew safety risks). Finally, a few habitat layout evaluation examples are described to demonstrate the effectiveness of this method and tool to influence habitat design.

Simon, Matthew A.

A Study on Effect of Tuning Capacitor in Dynamic Radioisotope Power Systems

This study presents the effect of the tuning capacitor on stability and electrical power output of a gas-bearing based free-piston Stirling convertor (FPSC) when operating on a fixed-frequency type controller. It has been widely accepted that the tuning capacitor is an important circuit component of the FPSC to stabilize piston amplitude and maximize electrical power output by correcting the power factor. Models suggest the stability of the FPSC is strongly coupled to the tuning capacitance, while the coupling to the electrical power output is weak. This applies to cases where the operating frequency of the FPSC is fixed by a fixed-frequency controller and other operating conditions, such as the hot-end and cold-end temperatures, piston amplitude, and pressure are constant. To verify the modeling analysis results, an Advanced Stirling Convertor (ASC) was controlled by an AC power supply and the piston amplitude, hot-end temperature, cold-end temperature, and pressure are actively controlled to 4.3mm, 760˚C, 40˚C and 485psig, respectively, while the tuning capacitor value was changed from 840μF to 1040μF and 1240μF. Furthermore, the vibration test results of the ASC with different tuning capacitor values are also presented to show the effect of the tuning capacitor on stability. The experimental test results verified that the effect of tuning capacitor on electrical power output is negligible while the effect on stability is rather noticeable. Therefore, the ideal tuning capacitor value should be selected based on required stability of the FPSC.

Free-Piston Stirling Convertor Controller

A Simple, Powerful Method for Optimal Guidance of Spacecraft Formations

One of the most interesting and challenging aspects of formation guidance law design is the coupling of the orbit design and the science return. The analyst s role is more complicated than simply to design the formation geometry and evolution. He or she is also involved in designing a significant portion of the science instrument itself. The effectiveness of the formation as a science instrument is intimately coupled with the relative geoniet,ry and evolution of the collection of spacecraft. Therefore, the science return can be maximized by optimizing the orbit design according to a performance metric relevant to the science mission goals. In this work, we present a simple method for optimal formation guidance that is applicable to missions whose performance metric, requirements, and constraints can be cast as functions that are explicitly dependent upon the orbit states and spacecraft relative positions and velocities. We present a general form for the cost and constraint functions, and derive their semi-analytic gradients with respect to the formation initial conditions. The gradients are broken down into two types. The first type are gradients of the mission specific performance metric with respect to formation geometry. The second type are derivatives of the formation geometry with respect to the orbit initial conditions. The fact that these two types of derivatives appear separately allows us to derive and implement a general framework that requires minimal modification to be applied to different missions or mission phases. To illustrate the applicability of the approach, we conclude with applications to twc missims: the Magnetospheric Mu!tiscale mission (MMS), a,nd the TJaser Interferometer Space Antenna (LISA).

Hughes, Steven P.

Next-Generation Radioisotope Thermoelectric Generator Study

Radioisotope Thermoelectric Generators (RTGs) have been used to power NASA missions of various types throughout the past five decades. The most recent RTG iteration, used for NASA’s Mars Science Laboratory, is the Multi-Mission RTG (MMRTG), which is currently the only spaceflight-qualified system available. The U.S. planetary science community has expressed a desire for more power system options to be available to accommodate a range of ambitious future mission concepts across the solar system. Recent advancements in thermoelectric (TE) materials technology have raised a potential for significantly increased efficiency in future RTGs, which helped spur a recent in-depth NASA study of options for future systems. A “next-generation” RTG study was conducted to develop new RTG concepts that could meet the needs of planetary science missions through the 2030s and beyond. A Next-Generation RTG would aim to extend the types of potential NASA missions able to be supported, while fulfilling requirements related to technical risk and schedule. In this study, 21 potential thermoelectric couple configurations were analyzed by considering various high-performance, high-temperature TE materials and segmentation techniques that maximize convertor efficiency and power density. System modularity was explored, and found to be a promising means to offer improved flexibility for NASA mission concepts with varying scope and power requirements. This paper presents the results of the study, demonstrating the viability of developing an updated RTG system design, and defining conceptual system approaches for a new, potentially revolutionary RTG.

Matthes, Christopher S. R.

Earthquake detection in a simulated lunar regolith using distributed acoustic sensing

Current models of inner lunar geology have largely been inferred from the seismic experiments and observations performed during the Apollo missions that comprised a relatively small number of seismic instruments. Refining constraints on fundamental lunar relationships such as crust-mantle and mantle-core boundaries in the future will require seismic arrays spanning larger epicentral distances. A promising technology for installing dense seismic arrays with minimal human effort is distributed acoustic sensing (DAS), an approach that allows a single length of fiber optic cable to act as hundreds or thousands of sensors when coupled with a DAS interrogator. While terrestrial uses of DAS technology for seismic monitoring rely on burying the cable to maximize fidelity of seismic signal transmission to the fiber, digging meters of trench to bury optical fiber on lunar or planetary surfaces is logistically infeasible. To evaluate DAS signal attenuation due to surface deployment of cable in lunar regolith, we completed earthquake detection analyses that evaluated the sensitivity of an optic-fiber DAS system to seismic signals at different burial depths. We deployed a single-mode fiber in a 10-m open-bottom wooden box filled with a lunar regolith simulant (LRS) with fiber buried at different depths within the LRS and recorded signals for four regional and local earthquakes. The results were used to identify and evaluate signal attenuation in surface-deployed fiber compared to buried fiber in the LRS. Burial depth responses to active-source signals were also evaluated similar to previous studies characterizing DAS sensitivity of surface-deployed fiber. Atmospheric noise was minimal as the cable was deployed in an indoor environment; however, where observed, atmospheric and anthropogenic noise was filtered out using the same bandpass filtering used to identify earthquake events. We found that signal attenuation of the surface-deployed fiber compared to buried fiber was relatively high in active-source experiments but was not consistently observed in earthquake signals. That burial depth is not highly correlated to attenuation of the observed earthquake signals indicates that in a noise-limited environment, placing DAS-interrogated fiber directly at the regolith surface may be a promising deployment strategy to consider for sensing remote seismic signals during lunar exploration.

58 GEOSCIENCES

Nondissipative optimum charge regulator

Optimum charge regulator provides constant level charge/discharge control of storage batteries. Basic power transfer and control is performed by solar panel coupled to battery through power switching circuit. Optimum controller senses battery current and modifies duty cycle of switching circuit to maximize current available to battery.

Rosen, R.

Experimental study of laminar boundary layer receptivity to a traveling pressure field

Study is made of the production of Tollmien-Schlichting (T-S) waves within a Blasius boundary layer by an externally-imposed, two-dimensional, pressure field of a particular type. The field is that due to flow past a relatively small cylinder aligned parallel to the test plate and normal to the flow. The cylinder was carried on a circular path about an axis located well above the plate and such that the closest approach of the cylinder to the layer was several times the layer thickness or cylinder diameter. The turbulent wake did not, therefore, directly perturb the layer. Through adjustment of the circumferential velocity, the pressure field was swept along a certain region of the plate with controllable speed. Both the pressure field and the layer response are described in detail. It is shown that the production of T-S waves was sharply maximal for the case of circumferential speed near that of freely-propagating T-S waves, and that the coupling efficiency was extremely high for this case of resonance. The relevance of this energy transfer process to T-S wave production by the unsteady pressure fields resulting from wind tunnel wall turbulent boundary layers for both subsonic and supersonic flow is mentioned.

Kendall, James M.

Multi-Absorber Transition-Edge Sensors for X-Ray Astronomy Applications

We are developing multi-absorber Transition-Edge Sensors (TESs) for applications in x-ray astronomy. These position-sensitive devices consist of multiple x-ray absorbers each with a different thermal coupling to a single readout TES. Heat diffusion between the absorbers and the TES gives rise to a characteristic pulse shape corresponding to each absorber element and enables position discrimination. The development of these detectors is motivated by a desire to maximize focal plane arrays with the fewest number of readout channels. In this contribution we report on the first results from devices consisting of nine) 65 X 65 sq. microns Au x-ray absorbers) 5 microns thick. These are coupled to a single 35 X 35 sq. microns Mo/Au bilayer TES. These devices have demonstrated full-width-half-maximum (FWHM) energy resolution of 2.1 eV at 1.5 keV) 2.5 eV at 5.9 keV and 3.3 eV at 8 keV. This is coupled with position discrimination from pulse shape over the same energy range. We use a finite-element model to reproduce the measured pulse shapes and investigate the detector non-linearity with energy) which impacts on the devices position sensitivity and energy resolution.

Smith, S. J.

Real singlet scalar benchmarks in the multi-TeV resonance regime

Scalar extensions of the Standard Model (SM) are of much interest at the Large Hadron Collider (LHC) and future colliders. In particular, these models can give rise to resonant di-Higgs production and alter the Higgs trilinear coupling. In this paper, we study di-Higgs production in the Standard Model extended by a real scalar singlet with no additional symmetries. We determine how large the resonant di-Higgs rate and variation in the Higgs trilinear coupling can be in four scenarios: current LHC results and projected results at the high luminosity LHC (HL-LHC), the HL-LHC combined with a circular 𝑒 − ⁢𝑒 + collider such as the Circular Electron Positron Collider or Future Circular Collider with electron-positron collisions, and the HL-LHC combined with a linear 𝑒 − ⁢𝑒 + collider such as the International Linear Collider. While these are updated results from a previous study by [I. M. Lewis and M. Sullivan, Benchmarks for double Higgs production in the singlet extended standard model at the LHC, Phys. Rev. D 96, 035037 (2017).] using current LHC data, we go further and find benchmark points in the multi-TeV resonance regime for future colliders beyond the HL-LHC. Considering current LHC results, the resonant di-Higgs rate can still be an order of magnitude larger than the SM predicted di-Higgs rate. In the HL-LHC scenario, the Higgs trilinear coupling can still be a factor of three larger than the SM prediction for resonance masses in the 1.5–3.5 TeV range, where resonant searches may have less reach. This enhancement is just at the projected 2⁢𝜎 sensitivity of the HL-LHC. We find there are resonance masses for which the change in the Higgs trilinear is maximized while the resonant rate is negligible. We provide an analytical understanding of these effects with a discussion on the interplay of various constraints on the parameter space and the Higgs trilinear coupling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Improving Balance Function Using Low Levels of Electrical Stimulation of the Balance Organs

Crewmembers returning from long-duration space flight face significant challenges due to the microgravity-induced inappropriate adaptations in balance/sensorimotor function. The Neuroscience Laboratory at JSC is developing a method based on stochastic resonance to enhance the brain's ability to detect signals from the balance organs of the inner ear and use them for rapid improvement in balance skill, especially when combined with balance training exercises. This method involves a stimulus delivery system that is wearable/portable and provides imperceptible electrical stimulation to the balance organs of the human body. Stochastic resonance (SR) is a phenomenon whereby the response of a nonlinear system to a weak periodic input signal is optimized by the presence of a particular non-zero level of noise. This phenomenon of SR is based on the concept of maximizing the flow of information through a system by a non-zero level of noise. Application of imperceptible SR noise coupled with sensory input in humans has been shown to improve motor, cardiovascular, visual, hearing, and balance functions. SR increases contrast sensitivity and luminance detection; lowers the absolute threshold for tone detection in normal hearing individuals; improves homeostatic function in the human blood pressure regulatory system; improves noise-enhanced muscle spindle function; and improves detection of weak tactile stimuli using mechanical or electrical stimulation. SR noise has been shown to improve postural control when applied as mechanical noise to the soles of the feet, or when applied as electrical noise at the knee and to the back muscles. SR using imperceptible stochastic electrical stimulation of the vestibular system (stochastic vestibular stimulation, SVS) applied to normal subjects has shown to improve the degree of association between the weak input periodic signals introduced via venous blood pressure receptors and the heart-rate responses. Also, application of SVS over 24 hours improves the long-term heart-rate dynamics and motor responsiveness as indicated by daytime trunk activity measurements in patients with multi-system atrophy, Parkinson s disease, or both, including patients who were unresponsive to standard therapy for Parkinson s disease. Recent studies conducted at the NASA JSC Neurosciences Laboratories showed that imperceptible SVS, when applied to normal young healthy subjects, leads to significantly improved balance performance during postural disturbances on unstable compliant surfaces. These studies have shown the benefit of SR noise characteristic optimization with imperceptible SVS in the frequency range of 0-30 Hz, and amplitudes of stimulation have ranged from 100 to 400 microamperes.

Bloomberg, Jacob

Improving Balance Function Using Low Levels of Electrical Stimulation of the Balance Organs

Crewmembers returning from long-duration space flight face significant challenges due to the microgravity-induced inappropriate adaptations in balance/ sensorimotor function. The Neuroscience Laboratory at JSC is developing a method based on stochastic resonance to enhance the brain s ability to detect signals from the balance organs of the inner ear and use them for rapid improvement in balance skill, especially when combined with balance training exercises. This method involves a stimulus delivery system that is wearable/portable providing imperceptible electrical stimulation to the balance organs of the human body. Stochastic resonance (SR) is a phenomenon whereby the response of a nonlinear system to a weak periodic input signal is optimized by the presence of a particular non-zero level of noise. This phenomenon of SR is based on the concept of maximizing the flow of information through a system by a non-zero level of noise. Application of imperceptible SR noise coupled with sensory input in humans has been shown to improve motor, cardiovascular, visual, hearing, and balance functions. SR increases contrast sensitivity and luminance detection; lowers the absolute threshold for tone detection in normal hearing individuals; improves homeostatic function in the human blood pressure regulatory system; improves noise-enhanced muscle spindle function; and improves detection of weak tactile stimuli using mechanical or electrical stimulation. SR noise has been shown to improve postural control when applied as mechanical noise to the soles of the feet, or when applied as electrical noise at the knee and to the back muscles.

Bloomberg, Jacob

Lunar Equator Regenerative Fuel Cell System Efficiency Analysis

It is expected that future NASA mission energy storage requirements can be adequately met by regenerative fuel cells (RFCs). Aerospace RFCs are likely to package proton exchange membrane electrochemical conversion devices based on hydrogen, oxygen, and water. To optimize system designs and direct further development, the most useful system metric is round-trip efficiency (RTE). Improving RTE generally increases specific energy and reduces system mass. The following analysis models the impact of several factors on RTE for RFCs scaling from 0.1 to 50 kW. The analysis demonstrates that higher electrolyzer (EZ) operational pressure most negatively impacts both RFC RTE and specific energy. Reactant storage heating and power management losses are significant for RFCs of any scale, but solenoid valve power becomes a noticeable parasitic load for smaller RFCs. Spherical gas storage vessels benefit RTE by only 2 to 4 percentage points but increase specific energy by ~50 percent. Cryogenic reactant storage is shown to depress RTE to below 15 percent in all cases. For a given RFC scale, there is an RTE benefit to specifying larger EZs and recharging at higher rates—if the RFC can be coupled with a corresponding power source. Although fuel cell (FC) operation is less impactful on RTE than EZ factors, efficiency is maximized by sizing the FCs relatively large and keeping current density low. RFC design is a balance of many interrelated factors, but this analysis provides a starting point for difficult decisions that must be made when designing a lunar equator RFC.

regenerative fuel cell

Employing artificial intelligence to steer exascale workflows with colmena

Computational workflows are a common class of application on supercomputers, yet the loosely coupled and heterogeneous nature of workflows often fails to take full advantage of their capabilities. We created Colmena to leverage the massive parallelism of a supercomputer by using Artificial Intelligence (AI) to learn from and adapt a workflow as it executes. Colmena allows scientists to define how their application should respond to events (e.g., task completion) as a series of cooperative agents. In this paper, we describe the design of Colmena, the challenges we overcame while deploying applications on exascale systems, and the science workflows we have enhanced through interweaving AI. The scaling challenges we discuss include developing steering strategies that maximize node utilization, introducing data fabrics that reduce communication overhead of data-intensive tasks, and implementing workflow tasks that cache costly operations between invocations. These innovations coupled with a variety of application patterns accessible through our agent-based steering model have enabled science advances in chemistry, biophysics, and materials science using different types of AI. In conclusion, our vision is that Colmena will spur creative solutions that harness AI across many domains of scientific computing.

Workflows