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At least 1,045 records · Page 58

Capturing the Coverage Dependence of Aromatics’ Adsorption through Mean-Field Models

To capture the dominant interactions (surface-mediated and through-space steric) in catalytic hydrodeoxygenation systems, coverage-dependent mean-field models of aromatic adsorption are developed on Pt(111) and Ru(0001). We derive three key insights from this work: (1) we can universally apply mean-field models to capture the coverage-dependent behavior of oxygenated aromatics on transition metal surfaces, (2) we can deconvolute surface-mediated and throughspace steric interactions from the mean-field model, and (3) we can develop relatively accurate models that predict the adsorption energy of aromatics on transition metal surfaces for the full coverage range using the work function at lowest modeled coverage. In conclusion, our approach enables the rapid prediction of coverage-dependent behavior of oxygenated aromatics on transition metal surfaces, reducing the computational cost associated with these studies by an order of magnitude.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Space Shuttle laminar heating with finite-rate catalytic recombination

Temperature-dependent catalytic recombination coefficients are used to calculate the heat flux to the Space Shuttle Orbiter. With variable entropy boundary-layer edge properties obtained from a reacting inviscid flow-field calculation, the reacting boundary-layer equations are solved along the forward 50 percent of the windward centerline using the boundary-layer integral matrix procedure. The results are compared with fully catalytic and noncatalytic reacting solutions, with equilibrium solutions, and with the Orbiter-design heating rates. The fully catalytic heat fluxes are about equal to the equilibrium predictions; whereas, the finite catalytic results are about 12 to 27 percent lower than the fully catalytic results (approaching the noncatalytic results downstream) and as much as 30 to 50 percent lower than design predictions away from the nose area.

Scott, C. D.↗

Characterization of nonlinear ultrasonic waves behavior while interacting with poor interlayer bonds in large-scale additive manufactured materials

Over the past decades, researchers have developed several nonlinear ultrasonic techniques for quality control of materials commonly used in different applications. Owing to the superior sensitivity of nonlinear ultrasound waves to small defects such as micro-cracks, their applicability in different nondestructive testing (NDT) problems has been investigated in numerous studies. These studies utilize frequency domain analysis to detect the generation of higher harmonics because of the formation of defects in the inspected medium. Frequency domain analysis based on the Fourier transform is a significant approach used in linear systems; however, it may not perform adequately on nonlinear systems. Hence, studies on nonlinear dynamics and physics consider analyzing systems' behavior in the phase-space domain. In contrast to the frequency domain analysis, which can result in information loss, analysis in the phase-space domain retains all the information regarding a system's states. Here, we investigate the nonlinearities induced by poor interlayer bonding in polymer-based additive manufactured parts in the phase-space domain. It is convenient to characterize the nonlinearity in the phase-space domain because it provides a geometrical representation of a system's states. Two types of low quality interlayer bond are considered. The first type is simulated artificially while the second type is manufactured by reducing the bond quality during the printing process. The analysis verified that the received ultrasonic signals exhibit classical nonlinear behavior in the phase-space domain while interacting with simulated poor interlayer bonds. In addition, the results showed that the behavior of ultrasonic waves is amplitude-dependent and evolves into models that have not been previously reported. Furthermore, Largest Lyapunov Exponent (LLE) is used to quantify the behavior of nonlinear ultrasonic waves while interacting with poor interlayer bonds. Using LLE, it was observed that the divergence rate of the phase-space trajectories depends on the amplitude of the excitation. This observation quantitatively proves that nonlinear behavior of ultrasound while interacting with poor interlayer bonds can be amplitude-dependent. The results of both simulated and inherent poor interlayer bond cases showed that LLE can be used as a reliable quantitative damage-sensitive feature to detect and potentially characterize weak bonds, which are difficult to detect using conventional approaches. Additionally, the reported results in the phase-space domain provide a basis for proposing a new mathematical model for ultrasonic waves interacting with poor interlayer bonds.

36 MATERIALS SCIENCE↗

STV engine requirements

The Space Exploration Initiative program and the Space Transfer Vehicle studies provide the opportunity to evaluate the engine requirements for the next generation space engine within the context of a credible but technologically demanding program. Some of these requirements are generic, basically independent of the architecture, and others are mission and configuration dependent. Generic requirements include high reliability, space-basing, man-rataing, long life and reusability, and extended health monitoring, including automatic pre-mission checkout. Mission and configuration dependent requirements include vehicle/engine interfaces, engine throttling, performance specifications, engine system architecture, and operational requirements. It is argued that engine technology requirements must be extended from the usual performance-related issues to encompass reliability, space-basing, life, and extended health monitoring.

Redus, J. R.↗

Radiative transfer to space through a precipitating cloud at multiple microwave frequencies. I - Model description. II - Results and analysis

The impact of time-dependent cloud microphysical structure on the transfer to space of passive microwave radiation is studied at several frequencies across the EHF and lower SHF portions of the microwave spectrum. The feasibility of using multichannel passive-microwave retrieval techniques to estimate precipitation from space-based platforms is examined. The model is described, and the results are assessed in conjunction with a Nimbus-7 SMMR case study of precipitation in an intense tropical Pacific storm. It is concluded that the effects of cloud liquid water content must be considered to obtain a realistic estimation and distribution of rainrates.

Mugnai, Alberto↗

Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors

In this paper, electrochemical double-layer capacitances of charged carbon nanotube (CNT) forests with tetraethyl ammonium tetrafluoro borate electrolyte in propylene carbonate are studied on the basis of molecular dynamics simulation. Direct molecular simulation of the filling of pore spaces of the forest is feasible even with realistic, small CNT spacings. The numerical solution of the Poisson equation based on the extracted average charge densities then yields a regular experimental dependence on the width of the pore spaces, in contrast to the anomalous pattern observed in experiments on other carbon materials and also in simulations on planar slot-like pores. The capacitances obtained have realistic magnitudes but are insensitive to electric potential differences between the electrodes in this model. This agrees with previous calculations on CNT forest supercapacitors, but not with experiments which have suggested electrochemical doping for these systems. Finally, those phenomena remain for further theory/modeling work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploration Space Suit Architecture and Destination Environmental-Based Technology Development

This paper continues forward where EVA Space Suit Architecture: Low Earth Orbit Vs. Moon Vs. Mars left off in the development of a space suit architecture that is modular in design and could be reconfigured prior to launch or during any given mission depending on the tasks or destination. This space suit system architecture and technologies required based on human exploration (EVA) destinations will be discussed, and how these systems should evolve to meet the future exploration EVA needs of the US human space flight program. A series of exercises and analyses provided a strong indication that the Constellation Program space suit architecture, with its maximum reuse of technology and functionality across a range of mission profiles and destinations, is postured to provide a viable solution for future space exploration missions. The destination environmental analysis demonstrates that the modular architecture approach could provide the lowest mass and mission cost for the protection of the crew, given any human mission outside of low-Earth orbit. Additionally, some of the high-level trades presented here provide a review of the environmental and nonenvironmental design drivers that will become increasingly important as humans venture farther from Earth. The presentation of destination environmental data demonstrates a logical clustering of destination design environments that allows a focused approach to technology prioritization, development, and design that will maximize the return on investment, largely independent of any particular design reference mission.

Hill, Terry R.↗

Three paths toward the quantum angle operator

We examine mathematical questions around angle (or phase) operator associated with a number operator through a short list of basic requirements. We implement three methods of construction of quantum angle. The first one is based on operator theory and parallels the definition of angle for the upper half-circle through its cosine and completed by a sign inversion. The two other methods are integral quantization generalizing in a certain sense the Berezin–Klauder approaches. One method pertains to Weyl–Heisenberg integral quantization of the plane viewed as the phase space of the motion on the line. It depends on a family of “weight” functions on the plane. The third method rests upon coherent state quantization of the cylinder viewed as the phase space of the motion on the circle. The construction of these coherent states depends on a family of probability distributions on the line.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Steady state, exposure age, and growth of agglutinates in lunar soils

Mineralogical evolution of lunar soils as a function of agglutinate content can be described with the help of a two-component model. Steady-state condition of exposed lunar soils can be achieved only by the balance of comminution, agglutination, and replenishment processes. Rate of replenishment depends on the meteoroid flux and the nature of the substrate which varies both in space and time. Rates of agglutination and comminution depend not only on the micrometeoritic flux but also on the chemical and modal composition of an exposed soil. It is concluded from modeling the above that steady-state condition of lunar soils is independent of its maturity or exposure age. Agglutinate content of a lunar soil can be used to estimate the relative exposure age of the soil only if the soil is in a non-steady-state condition.

Basu, A.↗

Superconducting Sensors for Microwave and Optical Photon-Starved Communications (Plenary)

NASA mission modeling indicates a desire for approximately a tenfold data improvement per decade from the Deep Space Network through the year 2040. Some of this improvement will come from aperture enhancement and antenna arraying, increased use of Ka-band over X-band, and high performance optical terminals (e.g. 12 m ground telescope). The remainder will depend on "disruptive" technologies. Deep-space communications differs from near earth communications. One way light travel times are measured in minutes rather than seconds and distances involved are large enough such that optical signals are photon limited and microwave signals have extremely low flux density. High frequency SQIF receivers and single photon detectors for optical communications will be described. Specifically, progress towards a "noiseless" receiver based on arrays of incommensurate area SQUIDs, and single photon counting detectors based on superconducting nanowires and kinetic inductance effects, will be discussed. Finally, the design of an optimal array of optical telescopes to emulate performance of a monolithic 12 m telescope will be outlined. In this case, optimal means minimizing the initial capital investment and operational cost while maintaining performance requirements of the deep-space link.

Romanofsky, Bob↗

Progressive Response Surfaces

Response surface functions are often used as simple and inexpensive replacements for computationally expensive computer models that simulate the behavior of a complex system over some parameter space. Progressive response surfaces are ones that are built up progressively as global information is added from new sample points in the parameter space. As the response surfaces are globally upgraded based on new information, heuristic indications of the convergence of the response surface approximation to the exact (fitted) function can be inferred. Sampling points can be incrementally added in a structured fashion, or in an unstructured fashion. Whatever the approach, at least in early stages of sampling it is usually desirable to sample the entire parameter space uniformly. At later stages of sampling, depending on the nature of the quantity being resolved, it may be desirable to continue sampling uniformly over the entire parameter space (Progressive response surfaces), or to switch to a focusing/economizing strategy of preferentially sampling certain regions of the parameter space based on information gained in early stages of sampling (Adaptive response surfaces). Here we consider Progressive response surfaces where a balanced indication of global response over the parameter space is desired.We use a variant of Moving Least Squares to fit and interpolate structured and unstructured point sets over the parameter space. On a 2-D test problem we compare response surface accuracy for three incremental sampling methods: Progressive Lattice Sampling; Simple-Random Monte Carlo; and Halton Quasi-Monte-Carlo sequences. We are ultimately after a system for constructing efficiently upgradable response surface approximations with reliable error estimates.

Romero, V. J.↗

Temperature dependent dielectric and magnetic properties of GdFe{sub 1−x}Ni{sub x}O{sub 3} (0.0 ≤ x ≤ 0.3) orthoferrites

The polycrystalline samples of GdFe{sub 1−x}Ni{sub x}O{sub 3} (x = 0.0, 0.1, 0.2, 0.3) orthoferrites are synthesized via solid state reaction route. The Rietveld fitted X-ray diffraction patterns confirm the formation of orthorhombic phase with Pbnm space group for all the samples. The dielectric measurements reveal an enhancement in dielectric constant and tangent loss with increase in both temperature as well as Nickel (Ni) substitution. Dielectric studies are also in support with the induction of delocalized charge carriers in the GdFeO{sub 3} matrix with increasing Ni doping. Magnetization versus applied field study shows the non-saturating hysteresis curves suggesting the canted type antiferromagnetic behavior in the considered orthoferrites. Moreover, the observed magnetic behavior is complex and the doping affects the magnitude of magnetization differently at 300 K and 80 K. It has further been noticed that the incorporated Ni{sup 3+} ions enhances the symmetry of the magnetization curves. The as-prepared samples may find their applications in the decoupling capacitors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides

The nature of the electrochemical water splitting activity of layered pure and Fe-doped NiOOH is investigated using density functional theory calculations. We find similar thermodynamics for the oxygen evolution reaction (OER) intermediates between the layers of oxyhydroxides, that is, in the bulk of the materials as on the (001) surface. The effect of interlayer spacing on adsorption energy is affected by both the crystal structure and the level of hydrogenation of the active sites. For the Fe-doped NiOOH, we observe general weakening of binding between the different OER intermediates and the catalyst material. The calculated OER activity depends both on doping and interlayer spacing, and our results are generally congruent with available experimental data. In conclusion, these results suggest that such interlayer “bulk” sites may contribute to measured OER activity for both the pure and Fe-doped NiOOH catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New natural shapes of non-Gaussianity from high-derivative interactions and their optimal limits from WMAP 9-year data

Given the fantastic experimental effort, it is important to thoroughly explore the signature space of inflationary models. The fact that higher derivative operators do not renormalize lower derivative ones allows us to find a large class of technically natural single-clock inflationary models where, in the context of the Effective Field Theory of Inflation, the leading interactions have many derivatives. We systematically explore the 3-point function induced by these models and their overlap with the standard equilateral and orthogonal templates. We find that in order to satisfactorily cover the signature space of these models, two new additional templates need to be included. We then perform the optimal analysis of the WMAP 9-year data for the resulting four templates, finding that the overall significance of a non-zero signal is between 2–2.5σ, depending on the choice of parameter space, partially driven by the preference for nonzero f{sub NL}{sup orth} in WMAP9.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Going beyond reliability to robustness and resilience in space systems

The words reliability, robustness, and resilience, are often used interchangeably to describe tough and dependable systems but the distinctions between them suggest how to design more serviceable space systems. Reliability is simply the quality of consistently performing well. A system that dependably meets its design requirements in the specified environments is reliable. The designers may not consider themselves responsible for failures under unanticipated conditions. Robustness is the capability of performing without failure under a wide range of conditions, which can go beyond the expected range to include possible off-nominal conditions. Resilience is the ability to recover from or adapt to damaging events, such as failures, accidents, external disruptions, and repurposing. Such changes are usually unanticipated. They often invalidate the usual operating assumptions and cause system failure. Reliability, robustness, and resilience describe dependable performance under increasingly difficult conditions, first the specified environment, then a wider possible environment, and finally unanticipated damaging events. These three are increasingly desirable and increasingly difficult to achieve. Engineering for resilience would design systems that can ignore or repair failures, survive accidents, and recover from disruptions. Increasing the resilience of space systems, the ability to perform after unanticipated events, would greatly increase space crew safety. Improving reliability and robustness can be done by dealing with known sources of problems, but improving resilience requires implementing a general approach to reducing the impact of unknown future events. Two contrasting approaches are reducing system complexity and adding supervisory control. The need for resilience has been claimed for decades but little has been accomplished. Systems designers assume that they understand requirements, technologies, designs, architectures, integration, testing, operations, and environments. The potential problems of changes, failures, accidents, unknown environments, and unknown unknowns are ignored. Systems designers are typically overconfident and ignore the need for robustness and resilience.

Harry W Jones↗

A knowledge base architecture for distributed knowledge agents

A tuple space based object oriented model for knowledge base representation and interpretation is presented. An architecture for managing distributed knowledge agents is then implemented within the model. The general model is based upon a database implementation of a tuple space. Objects are then defined as an additional layer upon the database. The tuple space may or may not be distributed depending upon the database implementation. A language for representing knowledge and inference strategy is defined whose implementation takes advantage of the tuple space. The general model may then be instantiated in many different forms, each of which may be a distinct knowledge agent. Knowledge agents may communicate using tuple space mechanisms as in the LINDA model as well as using more well known message passing mechanisms. An implementation of the model is presented describing strategies used to keep inference tractable without giving up expressivity. An example applied to a power management and distribution network for Space Station Freedom is given.

Riedesel, Joel↗

Design of a neutral thermal scattering (NeTS) module for hydrogen in light water

The accurate representation of thermal scattering law (TSL) data is integral to the design and characterization of many modern nuclear systems, particularly those using light water as a moderator/coolant. As a material-dependent distribution over energy-momentum phase space, the TSL may exhibit a variety of unique and relevant conditional (e.g., temperature, pressure) and compositional (e.g., porosity, stoichiometry, radiation damage) dependencies. Currently, there are various approaches to incorporate temperature dependence, which is especially important in coupled neutronic-thermal hydraulic simulations. In each approach, there is an inherent tradeoff between memory consumption and accuracy. Some techniques require tens to hundreds of MBs or more, while others fail to reproduce the underlying data to within 10% error over the considered input domain, despite having a reduced storage burden. This work aims to address both sides of the tradeoff simultaneously by implementing a novel deep learning (DL) approach to TSL representation. The neural thermal scattering (NeTS) concept, which is amenable to an arbitrary number of dependencies, is demonstrated via the inclusion of temperature dependence into a highly compact, highly accurate functional form of the multi- variate TSL (i.e., S(α, β, T)) for hydrogen in light water. Resulting storage requirements are on the order of 100 kB, and median and maximum percent deviations are on the order of 0.1% and 1%, respectively. These measures represent a step improvement over previous techniques. Notably, the developed neural network and feature methodology build on those employed in prior work on beryllium oxide. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗