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At least 379 records · Page 21

Estimation of Preferred Work Envelope from Simulated Functional Tasks in a Spacesuit

Spacesuits allow humans to function in an incredibly harsh environment. However, they introduce some restrictions to human capabilities. In general, crewmembers in a spacesuit have a restricted maximal reach envelope, reduced field of view, and reduced tactility. When tasks and interfaces are being designed, they need to take into account the restrictions associated with working in an Extravehicular Activity (EVA) suit.

Benson, Elizabeth↗

In Search of a Visual-cortical Describing Function: a Summary of Work in Progress

The thrust of the present work is to explore the utility of using a sum of sinusoids (seven or more) to obtain an evoked response and, furthermore, to see if the response is sensitive to changes in cognitive processing. Within the field of automatic control system technology, a mathematical input/output relationship for a sinusoidally stimulated nonlinear system is defined as describing function. Applying this technology, sum of sines inputs to yield describing functions for the visual-cortical response have been designed. What follows is a description of the method used to obtain visual-cortical describing functions. A number of measurement system redesigns were necessary to achieve the desired frequency resolution. Results that guided and came out of the redesigns are presented. Preliminary results of stimulus parameter effects (average intensity and depth of modulation) are also shown.

Junker, A. M.↗

An efficient algorithm for choosing scattering directions in Monte Carlo work with arbitrary phase functions

This paper describes an efficient Monte Carlo algorithm for choosing a new direction of a photon after a scattering interaction. The algorithm chooses a scattering angle by linear interpolation in a table of the inverse cumulative scattering probability. A Legendre expansion of the phase function makes it easy to apply Clenshaw's algorithm to build the interpolation table. The points in the table are close enough together that linear interpolation is accurate. With a table of 100,000 entries, we can keep the absolute and relative errors in matching the probability distribution below 10(exp -5).

Barkstrom, Bruce R.↗

Processes that Drove the Transition from Chemistry to Biology: Concepts and Evidence

Two properties are particularly germane to the transition from chemistry to biology. One is the emergence of complex molecules (polymers) capable of performing non-trivial functions, such as catalysis, energy transduction or transport across cell walls. The other is the ability of several functions to work in concert to provide reproductive advantage to systems hosting these functions. Biological systems exhibit these properties at remarkable levels of efficiency and accuracy in a way that appears effortless. However, dissection of these properties reveals great complexities that are involved. This opens a question: how a simple, ancestral system could have acquired the required properties? Other questions follow. What are the chances that a functional polymer emerges at random? What is the minimum structural complexity of a polymer to carry out a function at a reasonable level of efficiency? Can we identify concrete, protobiologically plausible mechanisms that yield advantageous coupling between different functions? These and similar questions are at the core of the main topic of this session: how soulless chemistry became life? Clearly, we do not have complete answers to any of these questions. However, in recent years a number of new and sometimes unexpected clues have been brought to light. Of particular interest are proteins because they are the main functional polymers in contemporary cells. The emergence of protein functions is a puzzle. It is widely accepted that a well ]defined, compact structure (fold) is a prerequisite for function. It is equally widely accepted that compact folds are rare among random amino acid polymers. Then, how did protein functionality start? According to one hypothesis well folded were preceded by their poorly folded, yet still functional ancestors. Only recently, however, experimental evidence supporting this hypothesis has been presented. In particular, a small enzyme capable of ligating two RNA fragments with the rate of 106 above background was evolved in vitro. This enzyme does not look like any contemporary protein. It is very flexible and its structure is kept together just by a single salt bridge between a charged residue and a coordinating zinc. A similar picture emerges from studies of simple transmembrane channels that mimic those in ancestral cells. Again, they are extremely flexible and do not form a conventional pore. Yet, they efficiently mediate ion transport. Studies on simple proteins that are on-going in several laboratories hold promise of revealing crucial links between chemical and biological catalysis and other ubiquitous cell functions. Interaction between composition, growth and division of protobiologically relevant vesicles and metabolic reactions that they encapsulate is an example of coupling between simple functions that promotes reproduction and evolution. Recent studies have demonstrated possible mechanisms by which vesicles might have evolved their composition from fatty acids to phospholipids, thus facilitating a number of new cellular functions. Conversely, it has been also demonstrated that an encapsulated metabolism might drive vesicle division. These are, again, examples of processes that might have driven the transition from chemistry to biology.

Pohorille, Andrew↗

Development of advanced seal verification

The purpose of this research is to develop a technique to monitor and insure seal integrity with a sensor that has no active elements to burn-out during a long duration activity, such as a leakage test or especially during a mission in space. The original concept proposed is that by implementing fiber optic sensors, changes in the integrity of a seal can be monitored in real time and at no time should the optical fiber sensor fail. The electrical components which provide optical excitation and detection through the fiber are not part of the seal; hence, if these electrical components fail, they can be easily changed without breaking the seal. The optical connections required for the concept to work does present a functional problem to work out. The utility of the optical fiber sensor for seal monitoring should be general enough that the degradation of a seal can be determined before catastrophic failure occurs and appropriate action taken. Two parallel efforts were performed in determining the feasibility of using optical fiber sensors for seal verification. In one study, research on interferometric measurements of the mechanical response of the optical fiber sensors to seal integrity was studied. In a second study, the implementation of the optical fiber to a typical vacuum chamber was implemented and feasibility studies on microbend experiments in the vacuum chamber were performed. Also, an attempt was made to quantify the amount of pressure actually being applied to the optical fiber using finite element analysis software by Algor.

Workman, Gary L.↗

System architecture for the telerobotic work system

The functional and performance requirements and design concepts for a telerobotic work system (TWS) being considered as an adjunct to the Shuttle Remote Manipulator System and other applications are described. The multiple-armed free-flyer would be controlled by an operator in the Orbiter cabin and would perform remote sensing and manipulative tasks that EVA crew otherwise carry out. The TWS could also perform hazardous tasks, construction operations, and be an asset to the Space Station. Alternative system architectures are described, including the man-machine interface, the types of manipulators and their stowage, and the controls and backup systems. Potential terrestrial applications of the TWS concept, augmented with AI capabilities, are discussed.

Jenkins, Lyle M.↗

Chemistry by Way of Density Functional Theory

In this work we demonstrate that density functional theory (DFT) methods make an important contribution to understanding chemical systems and are an important additional method for the computational chemist. We report calibration calculations obtained with different functionals for the 55 G2 molecules to justify our selection of the B3LYP functional. We show that accurate geometries and vibrational frequencies obtained at the B3LYP level can be combined with traditional methods to simplify the calculation of accurate heats of formation. We illustrate the application of the B3LYP approach to a variety of chemical problems from the vibrational frequencies of polycyclic aromatic hydrocarbons to transition metal systems. We show that the B3LYP method typically performs better than the MP2 method at a significantly lower computational cost. Thus the B3LYP method allows us to extend our studies to much larger systems while maintaining a high degree of accuracy. We show that for transition metal systems, the B3LYP bond energies are typically of sufficient accuracy that they can be used to explain experimental trends and even differentiate between different experimental values. We show that for boron clusters the B3LYP energetics are not as good as for many of the other systems presented, but even in this case the B3LYP approach is able to help understand the experimental trends.

Bauschlicher, Charles W., Jr.↗

Aeroelastic Tailoring of a Plate Wing with Functionally Graded Materials

This work explores the use of functionally graded materials for the aeroelastic tailoring of a metallic cantilevered plate-like wing. Pareto trade-off curves between dynamic stability (flutter) and static aeroelastic stresses are obtained for a variety of grading strategies. A key comparison is between the effectiveness of material grading, geometric grading (i.e., plate thickness variations), and using both simultaneously. The introduction of material grading does, in some cases, improve the aeroelastic performance. This improvement, and the physical mechanism upon which it is based, depends on numerous factors: the two sets of metallic material parameters used for grading, the sweep of the plate, the aspect ratio of the plate, and whether the material is graded continuously or discretely.

Dunning, Peter D.↗

Science Requirements Working Group (SRWG) in float zone materials processing in space: A review

A summary and history of the Float Zone Working Group was presented. The functions of this working group are to: provide an informal forum of scientific investigators for the exchange of information and ideas in the approach of the solution of common problems in float zone processing, help plan the research and development necessary to place the float zone process on a firm base of scientific understanding and advanced technological development, establish the science requirements for the AFZES for Spacelab, and seek ways to maximize the advantages of the space environment in the pursuit of these goals.

Fowle, A. A.↗

Formation of Carbon Nanotube Based Gears: Quantum Chemistry and Molecular Mechanics Study of the Electrophilic Addition of o-Benzyne to Fullerenes, Graphene, and Nanotubes

Considerable progress has been made in recent years in chemical functionalization of fullerene molecules. In some cases, the predominant reaction products are different from those obtained (using the same reactants) from polycyclic aromatic hydrocarbons (PAHs). One such example is the cycloaddition of o-benzyne to C60. It is well established that benzyne adds across one of the rings in naphthalene, anthracene and other PAHs forming the [2+4] cycloaddition product (benzobicyclo[2.2.2.]-octatriene with naphthalene and triptycene with anthracene). However, Hoke et al demonstrated that the only reaction path for o-benzyne with C60 leads to the [2+2] cycloaddition product in which benzyne adds across one of the interpentagonal bonds (forming a cyclobutene ring in the process). Either reaction product results in a loss of aromaticity and distortion of the PAH or fullerene substrate, and in a loss of strain in the benzyne. It is not clear, however, why different products are preferred in these cases. In the current paper, we consider the stability of benzyne-nanotube adducts and the ability of Brenner's potential energy model to describe the structure and stability of these adducts. The Brenner potential has been widely used for describing diamondoid and graphitic carbon. Recently it has also been used for molecular mechanics and molecular dynamics simulations of fullerenes and nanotubes. However, it has not been tested for the case of functionalized fullerenes (especially with highly strained geometries). We use the Brenner potential for our companion nanogear simulations and believe that it should be calibrated to insure that those simulations are physically reasonable. In the present work, Density Functional theory (DFT) calculations are used to determine the preferred geometric structures and energetics for this calibration. The DFT method is a kind of ab initio quantum chemistry method for determining the electronic structure of molecules. For a given basis set expansion, it is comparable in accuracy to the MP2 method (better than Hartree Fock, but less accurate than more extensive electron correlation methods such as MP4 or CCSD). However, for systems with large numbers of basis functions it more efficient than any other methods that include electron correlation effects. In this presentation we show the results of DFT calculations for the reaction of benzyne with naphthalene, C60, and nanotube models. We compare energies for [2+2] and [2+4] cycloaddition products. The preferred products for the naphthalene and C60 reactions have been determined by experiment and, thus, these cases serve as a validation of our quantum chemical approach. We also compare the DFT and Brenner potential results. Finally we can predict the likelihood of reaction between benzyne and nanotubes.

Jaffe, Richard↗

Innovative Symmetrical Electrolyte Architecture Enables Ultra-Flat and Thermal Resilient Protonic Ceramic Electrochemical Cells

Protonic ceramic electrochemical cells (PCECs) represent a promising class of solid‐state energy conversion devices capable of high‐efficiency hydrogen production and power generation. However, the practical deployment of planar PCECs is fundamentally constrained by severe structural deformation and mechanical failure during fabrication, stemming from asymmetric shrinkage between the thin electrolyte and the thick NiO‐based support layer. Here, in this work, a functionally integrated, symmetry‐engineered double‐sided electrolyte (DE) design is unveiled, which not only suppresses thermally induced curvature but also unlocks significant gains in electrochemical performance and stability. This architecture intrinsically balances shrinkage dynamics across the cell bilaterally, enabling the fabrication of ultra‐flat 5 × 5 cm 2 cells with sub‐100 µm thickness variation. A numerical solid mechanics simulation is introduced to investigate and interpret this achievement. Beyond structural advantages, the DE configuration enhances the cell operational stability, delivering a low open‐circuit voltage degradation of 9.5 mV/100 h across 80 thermal cycles. This work establishes a compelling paradigm wherein architectural symmetry directly translates to both mechanical fidelity and functional enhancement, offering a promising route toward PCECs scale‐up.

08 - HYDROGEN↗

Mixed quantum-classical methods for polaron spectral functions

In this work, using two distinct semiclassical approaches—namely, the mean-field Ehrenfest method and the mapping approach to surface hopping—we investigate the spectral function of a single charge interacting with phonons on a lattice. This quantity is relevant for the description of angle-resolved photoemission experiments. Focusing on the one-dimensional Holstein model, we compare the performance of these approaches across a range of coupling strengths and lattice sizes, exposing the relative strengths and weaknesses of each. We demonstrate that these approaches can be efficiently applied with reasonable accuracy to ab initio polaron models. Furthermore, our work provides a route to the calculation of spectral properties in realistic electron–phonon-coupled systems in a computationally inexpensive manner with encouraging accuracy.

Atomic and molecular spectra↗

Design guidance for ferrites: Insights from density functional theory on magnetic properties

A grand challenge in materials research is identifying the relationship between composition and performance. Herein, we explore this relationship for magnetic properties, specifically magnetic saturation (M s ) and magnetocrystalline anisotropy energy (K) of ferrites. Ferrites are materials derived from magnetite (chemical formula = Fe 3 O 4 ) that comprise metallic elements such as Fe, Mn, Ni, Co, Cu and Zn. Experimentally, synthesizing and characterizing ferrites is time consuming. Further, selection of compositions to achieve particular magnetic properties currently relies on intuition. To address this, in this work, density functional theory (DFT) is used to predict M s and K for 571 ferrite structures. These structures are primarily double-substituted non-stoichiometric ferrites with formulae M1 x M2 y Fe 3–x–y O 4 , where M1 and M2 can be Mn, Ni, Co, Cu and/or Zn and 0 ≤ x ≤ 1 and y = 1–x. Calculated magnetic properties for the structures in this study vary from 0.04 × 10 5 to 9.6 × 10 5 A m −1 for M s and from 0.02 × 10 5 to 14.08 × 10 5 J m −3 for K. All structures are made publicly available in a FAIR database.

36 MATERIALS SCIENCE↗

Nodeman: A Node Management Tool For Hpc Clusters

NodeMan is a command line tool to manage nodes in an HPC cluster. At it's core, it is an extensible framework composed of bash scripting and GNU parallel. HPC System Administrator will find it useful in that it encapsulates desired functions and allows them to be assembled in a way familiar to administrators - through pipes. In fact, NodeMan functions can work with common command line tools as long as they use stdin/stdout. System Administrators can construct moderately complex logic and filtering on a compact command line that would normally require a substantial shell script. In the spirit of clush and pdsh, it is able to run commands remotely on nodes. Additionally, NodeMan is more flexible. For example, it can interact with IPMI and naturally processes node lists for orchestrating different tools. The library of useful pre-built functions is growing. System administrators can easily create new functions and make it their own.

Serr, ScottM↗

Applications of fuzzy theories to multi-objective system optimization

Most of the computer aided design techniques developed so far deal with the optimization of a single objective function over the feasible design space. However, there often exist several engineering design problems which require a simultaneous consideration of several objective functions. This work presents several techniques of multiobjective optimization. In addition, a new formulation, based on fuzzy theories, is also introduced for the solution of multiobjective system optimization problems. The fuzzy formulation is useful in dealing with systems which are described imprecisely using fuzzy terms such as, 'sufficiently large', 'very strong', or 'satisfactory'. The proposed theory translates the imprecise linguistic statements and multiple objectives into equivalent crisp mathematical statements using fuzzy logic. The effectiveness of all the methodologies and theories presented is illustrated by formulating and solving two different engineering design problems. The first one involves the flight trajectory optimization and the main rotor design of helicopters. The second one is concerned with the integrated kinematic-dynamic synthesis of planar mechanisms. The use and effectiveness of nonlinear membership functions in fuzzy formulation is also demonstrated. The numerical results indicate that the fuzzy formulation could yield results which are qualitatively different from those provided by the crisp formulation. It is felt that the fuzzy formulation will handle real life design problems on a more rational basis.

Rao, S. S.↗

Down-Selection of Four Common Habitat Variants

The Common Habitat is a large habitat developed as an alternative architecture study, not part of the current NASA baseline, that uses the SLS core stage liquid oxygen tank as its primary structure. It has a gravity-independent internal architecture, such that identical units can be used on the lunar surface, Mars surface, and in microgravity. In developing the habitat, two key architectural questions emerged. Should the internal layout use a vertical or horizontal orientation of the tank? Should the crew size be four or eight? This led to the design of four variants: a four-crew horizontal, four-crew vertical, eight-crew horizontal, and eight-crew vertical. The four-crew variants use a shortened version of the tank while the eight-crew variants use the entire tank. The primary consideration applied for down-selection is the crew experience living and working in the habitat, inclusive of crew productivity, well-being, and survivability. Based on this consideration, a series of seven assessments were performed to compare the variants. This analysis was performed as an unfunded, volunteer activity leveraging civil servants across multiple field centers, most with expertise working in various Artemis teams. Additionally, the evaluation was limited to the use of CAD models, images, and spreadsheet data, with no resources available for mockups or Virtual Reality. A logistics analysis developed a standard logistics module and then estimated how much stowage could be carried onboard each Common Habitat and how many logistics modules are required by each variant for a given mission duration. It also considered the amounts of water to be stored in each variant. A functional analysis identified and compared the living and working functions across the habitats, ranking them relative to each other. A crew time assessment first estimated the total crew time, building a weekly crew timeline for both four and eight-person crews. It then allocated time to activities linked to living and working functions, comparing how much time was available for each function in each variant. A science productivity assessment developed a relative metric using crew time, science stowage, and assumed rates of experiment consumables use to analytically compare the four variants. It also comparatively ranked the habitats with respect to a number of subjective parameters and a workstation acceptability rating. A maintenance capacity assessment identified and compared eleven generic maintenance capabilities across the variants and also ranked them for their predicted ability to complete twelve fabrication, maintenance, and repair scenarios. A contingency responsiveness analysis examined twelve serious in-flight contingencies. For each scenario, the number of crew needed to respond were predicted and acceptability of various aspects of contingency response were evaluated, comparing the variants against each other. Finally, in a habitability assessment, 120 habitability characteristics reflecting 13 major categories were evaluated for each habitat. These results were compared to identify the most acceptable habitat in each category. Ultimately, the data favored the horizontal orientation over the vertical and an eight-person crew over four. Implications of selecting this variant are discussed, including specific architectural challenges that result from the use of the full tank.

Habitability↗

Down-Selection of Four Common Habitat Variants

The Common Habitat is a large habitat that uses the Space Launch System core stage liquid oxygen tank as its primary structure. It has a gravity-independent internal architecture, such that identical units can be used on the lunar surface, Mars surface, and in microgravity. In developing the habitat, two key architectural questions emerged. Should the internal layout use a vertical or horizontal orientation of the tank? Should the crew size be four or eight? This led to the design of four variants: a four-crew horizontal, four-crew vertical, eight-crew horizontal, and eight-crew vertical. The primary consideration applied for down-selection was the crew experience living and working in the habitat, inclusive of crew productivity, well-being, and survivability. Based on this consideration, a series of seven assessments was performed to compare the four variants. A stowage assessment developed a standard logistics module and then considered the amounts of water to be stored in each variant. It then estimated how much stowage could be carried onboard each Common Habitat and how many logistics modules are required by each variant for a given mission duration. A functional analysis identified and compared the living and working functions across the four habitat, ranking them relative to each other. A crew time assessment first estimated the total crew time, building a weekly crew timeline for both four and eight-person crews. It then allocated time to activities linked to living and working functions, comparing how much time was available for each function in each variant. A science productivity assessment developed a relative metric using crew time, science stowage, and assumed rates of experiment consumables use to analytically compare the four variants. It also comparatively ranked the habitats with respect to a number of subjective parameters and a workstation acceptability rating. A maintenance capacity assessment identified and compared eleven generic maintenance capabilities across the four variants and also ranked the variants for their predicted ability to complete twelve fabrication, maintenance, and repair scenarios. A contingency responsiveness analysis examined twelve serious in-flight contingencies. For each scenario, the number of crew needed to respond was predicted and acceptability of various aspects of contingency response was evaluated, comparing the four variants against each other. Finally, in a habitability assessment, 120 habitability characteristics reflecting 13 major categories were evaluated for each habitat. These results were compared to identify the most acceptable habitat in each category. Ultimately, the data was shown to favor the horizontal orientation over the vertical and an eight-person crew over four. Implications of selecting this variant are discussed, including specific architectural challenges that result from the use of the full SLS liquid oxygen tank.

Habitability↗

Functional plasticity of HCO 3 – uptake and CO 2 fixation in Cupriavidus necator H16

Despite its prominence, the ability to engineer Cupriavidus necator H16 for inorganic carbon uptake and fixation is underexplored. We tested the roles of endogenous and heterologous genes on C. necator inorganic carbon metabolism. Deletion of β-carbonic anhydrase can had the most deleterious effect on C. necator autotrophic growth. Replacement of this native uptake system with several classes of dissolved inorganic carbon (DIC) transporters from Cyanobacteria and chemolithoautotrophic bacteria recovered autotrophic growth and supported higher cell densities compared to wild-type (WT) C. necator in batch culture. Strains expressing Halothiobacillus neopolitanus DAB2 (hnDAB2) and diverse rubisco homologs grew in CO 2 similarly to the wild-type strain. Our experiments suggest that the primary role of carbonic anhydrase during autotrophic growth is to support anaplerotic metabolism, and an array of DIC transporters can complement this function. This work demonstrates flexibility in HCO 3 - uptake and CO 2 fixation in C. necator, providing new pathways for CO 2 -based biomanufacturing.

59 BASIC BIOLOGICAL SCIENCES↗