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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.

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At least 37 records · Page 2

NASA Surface-Modeling and Grid-Generation (SM/GG) activities

A NASA Steering Committee was formed to carry out the recommendations from the NASA Workshop on Future Directions in Surface Modeling and Grid Generation. Its function is to communicate and coordinate within NASA the acquisition and distribution of geometry/grid generation software/data, establish geometry data exchange standards, and interface with other government, university, and industry efforts. Two speakers present the committee's activities in viewgraph format.

Choo, Yung K.↗

Preparation of Nonprecious Metal Electrocatalysts for the Reduction of Oxygen Using a Low-Temperature Sacrificial Metal

Non-platinum group metal (non-PGM) electrocatalysts for the oxygen reduction reaction (ORR) are generally composed of iron, nitrogen, and carbon synthesized through high-temperature pyrolysis. Among the various types of precursors, metal-organic frameworks (MOFs), zeolitic imidazolate framework (ZIF)-8 in particular, have often been used in the synthesis. The pyrolysis of ZIF-8 precursor relies on the use of Zn as a sacrificial metal (SM), and the optimal processing temperatures often exceed 1000 degrees C to generate active non-PGM catalysts. The high pyrolysis temperature tends to result in heterogeneous active moieties ranging from Fe single atoms to nanoparticles. In this study, we present the synthesis of non-PGM catalysts using Cd as the sacrificial metal instead of Zn. By using Cd, we were able to generate active non-PGM electrocatalysts from the MOF precursors at a low pyrolysis temperature of 750 degrees C, which helps preserve the single atomic iron active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing the Next Generation of Active Region Evolution Models

We recently began development work on an integrated suite of models for slowly evolving solar active regions. In this presentation I will describe the design of this suite, highlight the challenges which this presents and discuss the implications of this design for the CCMC, to which a functional beta test version is to be delivered in three years.

MacNeice, P. J.↗

Piezoelectrically Initiated Pyrotechnic Igniter

This innovation consists of a pyrotechnic initiator and piezoelectric initiation system. The device will be capable of being initiated mechanically; resisting initiation by EMF, RF, and EMI (electromagnetic field, radio frequency, and electromagnetic interference, respectively); and initiating in water environments and space environments. Current devices of this nature are initiated by the mechanical action of a firing pin against a primer. Primers historically are prone to failure. These failures are commonly known as misfires or hang-fires. In many cases, the primer shows the dent where the firing pin struck the primer, but the primer failed to fire. In devices such as "T" handles, which are commonly used to initiate the blowout of canopies, loss of function of the device may result in loss of crew. In devices such as flares or smoke generators, failure can result in failure to spot a downed pilot. The piezoelectrically initiated ignition system consists of a pyrotechnic device that plugs into a mechanical system (activator), which on activation, generates a high-voltage spark. The activator, when released, will strike a stack of electrically linked piezo crystals, generating a high-voltage, low-amperage current that is then conducted to the pyro-initiator. Within the initiator, an electrode releases a spark that passes through a pyrotechnic first-fire mixture, causing it to combust. The combustion of the first-fire initiates a primary pyrotechnic or explosive powder. If used in a "T" handle, the primary would ramp the speed of burn up to the speed of sound, generating a shock wave that would cause a high explosive to go "high order." In a flare or smoke generator, the secondary would produce the heat necessary to ignite the pyrotechnic mixture. The piezo activator subsystem is redundant in that a second stack of crystals would be struck at the same time with the same activation force, doubling the probability of a first strike spark generation. If the first activation fails to ignite, the device is capable of multiple attempts. Another unique aspect is in the design of the pyrotechnic device. There is an electrode that aids the generation of a directed spark and the use of a conductive matrix to support the first-fire material so that the spark will penetrate to the second electrode.

Quince, Asia↗

Nonunitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation

Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate term quantum computers. The localized active space self-consistent field (LASSCF) approximates the complete active space self-consistent field (CASSCF) by generating active space-based wave functions within specific fragments while treating interfragment correlation with mean-field approach, hence is computationally less expensive. Hardware-efficient ansatzes (HEA) offer affordable and shallower circuits, yet they often fail to capture the necessary correlation. Previously, Jastrow-factor-inspired nonunitary qubit operators were proposed to use with HEA for variational quantum eigensolver (VQE) calculations (so-called nuVQE), as they do not increase circuit depths and recover correlation beyond the mean-field level for Hartree–Fock initial states. Here, in this study, we explore running nuVQE with LASSCF as the initial state. The method, named LAS-nuVQE, is shown to recover interfragment correlations, reach chemical accuracy with a small number of gates (<70) in both H 4 and square cyclobutadiene (C 4 H 4 ), and produces more accurate energetics than its HEA counterparts at all circuit depths. To further address the inherent symmetry-breaking in HEA, we implemented spin-constrained LAS-nuVQE to extend the capabilities of HEA further and show spin-pure results for square cyclobutadiene. We also mitigate the increased measurement overhead of nuVQE via Pauli grouping and shot-frugal sampling, reducing measurement costs by up to 2 orders of magnitude compared to ungrouped operator, and show that one can achieve better accuracy with a small number of shots (10 3–4 ) per one expectation value calculation compared to noiseless simulations with one or two orders of magnitude more shots. Finally, wall clock time estimates show that, with our measurement mitigation protocols, nuVQE becomes a cheaper and more accurate alternative than vanilla VQE with HEA. Taken together, these developments illustrate a practical pathway toward performing multireference chemical simulations with accuracy and affordable resources on today’s quantum hardware, achieving both accuracy and affordability in challenging correlated systems.

Wang, Qiaohong [Univ. of Chicago, IL (United State↗

Multi-spacecraft testing of time-dependent interplanetary MHD models for operational forecasting of geomagnetic storms

An MHD 2-1/2D, time-dependent model is used, together with observations of six solar flares during February 3-7, 1986, to demonstrate global, large-scale, compound disturbances in the solar wind over a wide range of heliolongitudes. This scenario is one that is likely to occur many times during the cruise, possibly even encounter, phases of the Multi-Comet Mission. It is suggested that a model such as this one should be tested with multi-spacecraft data (such as the MCM and earth-based probes) with several goals in view: (1) utility of the model for operational real-time forecasting of geomagnetic storms, and (2) scientific interpretation of certain forms of cometary activities and their possible association with solar-generated activity.

Dryer, M.↗

Triggering cell death in cancers using self-illuminating nanocomposites

Bioinspired photocatalysis has resulted in efficient solutions for many areas of science and technology spanning from solar cells to medicine. Here we show a new bioinspired semiconductor nanocomposite (nanoTiO 2 DOPA-luciferase, TiDoL) capable of converting light energy within cancerous tissues into chemical species that are highly disruptive to cell metabolism and lead to cell death. This localized activity of semiconductor nanocomposites is triggered by cancer-generated activators. Adenosine triphosphate (ATP) is produced in excess in cancer tissues only and activates nearby immobilized TiDoL composites, thereby eliminating its off-target toxicity. The interaction of TiDoL with cancerous cells was probed in situand in real-time to establish a detailed mechanism of nanoparticle activation, triggering of the apoptotic signaling cascade, and finally, cancer cell death. Activation of TiDoL with non-cancerous cells did not result in cell toxicity. Exploring the activation of antibody-targeted semiconductor conjugates using ATP is a step toward a universal approach to single-cell-targeted medical therapies with more precision, efficacy, and potentially fewer side effects.

60 APPLIED LIFE SCIENCES↗

Modeling household-level party composition behavior for multiparty activities: a random parameter nested logit modeling approach

This study presents findings of a household-level party composition model for multiparty activities. It exploits data from a comprehensive Household Travel Survey conducted by Chicago Metropolitan Agency of Planning. The study estimates a random parameter nested logit model to capture households’ unobserved preference heterogeneity and non-proportional substitution patterns in terms of activity party composition for multiparty activities. A wide variety of household demographics, activity attributes and residential neighborhood characteristics are examined in this paper. The magnitude of the impacts of the determinants are tested in this study by analyzing the elasticity of the variables, which suggests that household demographics and attributes of the multiparty activities have significant effects on the household-level activity party composition. Residential neighborhood characteristics, although somewhat less impactful, still play a meaningful role. This model will be implemented within the POLARIS transportation systems simulator to improve the activity generation modeling workflow, and the prediction accuracy of various activity-travel components.

activity party composition↗

Conservative parallel simulation of priority class queueing networks

A conservative synchronization protocol is described for the parallel simulation of queueing networks having C job priority classes, where a job's class is fixed. This problem has long vexed designers of conservative synchronization protocols because of its seemingly poor ability to compute lookahead: the time of the next departure. For, a job in service having low priority can be preempted at any time by an arrival having higher priority and an arbitrarily small service time. The solution is to skew the event generation activity so that the events for higher priority jobs are generated farther ahead in simulated time than lower priority jobs. Thus, when a lower priority job enters service for the first time, all the higher priority jobs that may preempt it are already known and the job's departure time can be exactly predicted. Finally, the protocol was analyzed and it was demonstrated that good performance can be expected on the simulation of large queueing networks.

Nicol, David M.↗

Conservative parallel simulation of priority class queueing networks

A conservative synchronization protocol is described for the parallel simulation of queueing networks having C job priority classes, where a job's class is fixed. This problem has long vexed designers of conservative synchronization protocols because of its seemingly poor ability to compute lookahead: the time of the next departure. For, a job in service having low priority can be preempted at any time by an arrival having higher priority and an arbitrarily small service time. The solution is to skew the event generation activity so that the events for higher priority jobs are generated farther ahead in simulated time than lower priority jobs. Thus, when a lower priority job enters service for the first time, all the higher priority jobs that may preempt it are already known and the job's departure time can be exactly predicted. Finally, the protocol was analyzed and it was demonstrated that good performance can be expected on the simulation of large queueing networks.

Nicol, David↗

Systems and methods for reconfiguring input devices

A system includes an input device having first and second input members configured to be activated by a user. The input device is configured to generate activation signals associated with activation of the first and second input members, and each of the first and second input members are associated with an input function. A processor is coupled to the input device and configured to receive the activation signals. A memory coupled to the processor, and includes a reconfiguration module configured to store the input functions assigned to the first and second input members and, upon execution of the processor, to reconfigure the input functions assigned to the input members when the first input member is inoperable.

Lancaster, Jeff↗

NASA/NREN: Next Generation Internet (NGI) Activities

Various issues associated with next generation internet (NGI) and the NREN (NASA Research and Education Network) activities are presented in viewgraph form. Specific topics include: 1) NREN architecture; 2) NREN applications; and 3) NREN applied research.

desJardins, Richard↗