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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 163 records · Page 9

Evidence of dynamical effects and critical field in a cobalt spin crossover complex

The [Co(SQ) 2 (4-CN-py) 2 ] complex exhibits dynamical effects over a wide range of temperature. Additionally, the orbital moment, determined by X-ray magnetic circular dichroism (XMCD) with decreasing applied magnetic field, indicates a nonzero critical field for net alignment of magnetic moments, an effect not seen with the spin moment of [Co(SQ) 2 (4-CN-py) 2 ].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Abstract We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR data of a series of CaMn 3 IV O 4 and YMn 3 IV O 4 complexes as structural and spectroscopic models of the cuboidal subunit of the oxygen‐evolving complex (OEC). The effect of changes in heterometal identity, cluster geometry, and bridging oxo protonation on the spin‐state structure was investigated. In contrast to previous computational models, we show that the spin ground state of CaMn 3 IV O 4 complexes and variants with protonated oxo moieties need not be S =9/2. Desymmetrization of the pseudo ‐ C 3 ‐symmetric Ca(Y)Mn 3 IV O 4 core leads to a lower S =5/2 spin ground state. The magnitude of the magnetic exchange coupling is attenuated upon oxo protonation, and an S =3/2 spin ground state is observed in CaMn 3 IV O 3 (OH). Our studies complement the observation that the interconversion between the low‐spin and high‐spin forms of the S 2 state is pH‐dependent, suggesting that the (de)protonation of bridging or terminal oxygen atoms in the OEC may be connected to spin‐state changes.

Lee, Heui Beom↗

Good trellises for IC implementation of viterbi decoders for linear block codes

This paper investigates trellis structures of linear block codes for the IC (integrated circuit) implementation of Viterbi decoders capable of achieving high decoding speed while satisfying a constraint on the structural complexity of the trellis in terms of the maximum number of states at any particular depth. Only uniform sectionalizations of the code trellis diagram are considered. An upper bound on the number of parallel and structurally identical (or isomorphic) subtrellises in a proper trellis for a code without exceeding the maximum state complexity of the minimal trellis of the code is first derived. Parallel structures of trellises with various section lengths for binary BCH and Reed-Muller (RM) codes of lengths 32 and 64 are analyzed. Next, the complexity of IC implementation of a Viterbi decoder based on an L-section trellis diagram for a code is investigated. A structural property of a Viterbi decoder called ACS-connectivity which is related to state connectivity is introduced. This parameter affects the complexity of wire-routing (interconnections within the IC). The effect of five parameters namely: (1) effective computational complexity; (2) complexity of the ACS-circuit; (3) traceback complexity; (4) ACS-connectivity; and (5) branch complexity of a trellis diagram on the VLSI complexity of a Viterbi decoder is investigated. It is shown that an IC implementation of a Viterbi decoder based on a non-minimal trellis requires less area and is capable of operation at higher speed than one based on the minimal trellis when the commonly used ACS-array architecture is considered.

Moorthy, H. T.↗

Good trellises for IC implementation of viterbi decoders for linear block codes

This paper investigates trellis structures of linear block codes for the IC (integrated circuit) implementation of Viterbi decoders capable of achieving high decoding speed while satisfying a constraint on the structural complexity of the trellis in terms of the maximum number of states at any particular depth. Only uniform sectionalizations of the code trellis diagram are considered. An upper bound on the number of parallel and structurally identical (or isomorphic) subtrellises in a proper trellis for a code without exceeding the maximum state complexity of the minimal trellis of the code is first derived. Parallel structures of trellises with various section lengths for binary BCH and Reed-Muller (RM) codes of lengths 32 and 64 are analyzed. Next, the complexity of IC implementation of a Viterbi decoder based on an L-section trellis diagram for a code is investigated. A structural property of a Viterbi decoder called ACS-connectivity which is related to state connectivity is introduced. This parameter affects the complexity of wire-routing (interconnections within the IC). The effect of five parameters namely: (1) effective computational complexity; (2) complexity of the ACS-circuit; (3) traceback complexity; (4) ACS-connectivity; and (5) branch complexity of a trellis diagram on the VLSI complexity of a Viterbi decoder is investigated. It is shown that an IC implementation of a Viterbi decoder based on a non-minimal trellis requires less area and is capable of operation at higher speed than one based on the minimal trellis when the commonly used ACS-array architecture is considered.

Lin, Shu↗

Good Trellises for IC Implementation of Viterbi Decoders for Linear Block Codes

This paper investigates trellis structures of linear block codes for the integrated circuit (IC) implementation of Viterbi decoders capable of achieving high decoding speed while satisfying a constraint on the structural complexity of the trellis in terms of the maximum number of states at any particular depth. Only uniform sectionalizations of the code trellis diagram are considered. An upper-bound on the number of parallel and structurally identical (or isomorphic) subtrellises in a proper trellis for a code without exceeding the maximum state complexity of the minimal trellis of the code is first derived. Parallel structures of trellises with various section lengths for binary BCH and Reed-Muller (RM) codes of lengths 32 and 64 are analyzed. Next, the complexity of IC implementation of a Viterbi decoder based on an L-section trellis diagram for a code is investigated. A structural property of a Viterbi decoder called add-compare-select (ACS)-connectivity which is related to state connectivity is introduced. This parameter affects the complexity of wire-routing (interconnections within the IC). The effect of five parameters namely: (1) effective computational complexity; (2) complexity of the ACS-circuit; (3) traceback complexity; (4) ACS-connectivity; and (5) branch complexity of a trellis diagram on the very large scale integration (VISI) complexity of a Viterbi decoder is investigated. It is shown that an IC implementation of a Viterbi decoder based on a nonminimal trellis requires less area and is capable of operation at higher speed than one based on the minimal trellis when the commonly used ACS-array architecture is considered.

Moorthy, Hari T.↗

Athena

The Athena simulation software supports an analyst from DoD or other federal agency in making stability and reconstruction projections for operational analyses in areas like Iraq or Afghanistan. It encompasses the use of all elements of national power: diplomatic, information, military, and economic (DIME), and anticipates their effects on political, military, economic, social, information, and infrastructure (PMESII) variables in real-world battle space environments. Athena is a stand-alone model that provides analysts with insights into the effectiveness of complex operations by anticipating second-, third-, and higher-order effects. For example, the first-order effect of executing a curfew may be to reduce insurgent activity, but it may also reduce consumer spending and keep workers home as second-order effects. Reduced spending and reduced labor may reduce the gross domestic product (GDP) as a third-order effect. Damage to the economy will have further consequences. The Athena approach has also been considered for application in studies related to climate change and the smart grid. It can be applied to any project where the impacts on the population and their perceptions are important, and where population perception is important to the success of the project.

Chamberlain, Robert G.↗

Phosphonate-based iron complex for a cost-effective and long cycling aqueous iron redox flow battery

Abstract A promising metal-organic complex, iron (Fe)-NTMPA 2 , consisting of Fe(III) chloride and nitrilotri-(methylphosphonic acid) (NTMPA), is designed for use in aqueous iron redox flow batteries. A full-cell testing, where a concentrated Fe-NTMPA 2 anolyte (0.67 M) is paired with a Fe-CN catholyte, demonstrates exceptional cycling stability over 1000 charge/discharge cycles, and noteworthy performances, including 96% capacity utilization, a minimal capacity fade rate of 0.0013% per cycle (1.3% over 1,000 cycles), high Coulombic efficiency and energy efficiency near 100% and 87%, respectively, all achieved under a current density of 20 mA·cm - ². Furthermore, density functional theory unveils two potential coordination structures for Fe-NTMPA 2 complexes, improving the understanding between the ligand coordination environment and electron transfer kinetics. When paired with a high redox potential Fe-Dcbpy/CN catholyte, 2,2′-bipyridine-4,4′-dicarboxylic (Dcbpy) acid and cyanide (CN) ligands, Fe-NTMPA 2 demonstrates a notably elevated cell voltage of 1 V, enabling a practical energy density of up to 9 Wh/L.

25 ENERGY STORAGE↗

Oxyanion Surface Complexes Control the Kinetics and Pathway of Ferrihydrite Transformation to Goethite and Hematite

The rate and pathway of ferrihydrite (Fh) transformation at oxic conditions to more stable products is controlled largely by temperature, pH, and the presence of other ions in the system such as nitrate (NO 3 - ), sulfate (SO 4 2- ), and arsenate (AsO 4 3- ). Although the mechanism of Fh transformation and oxyanion complexation have been separately studied, the effect of surface complex type and strength on the rate and pathway remains only partly understood. We have developed a kinetic model that describes the effects of surface complex type and strength on Fh transformation to goethite (Gt) and hematite (Hm). Two sets of oxyanion-adsorbed Fh samples were prepared, nonbuffered and buffered, aged at 70 ± 1.5 °C, and then characterized using synchrotron X-ray scattering methods and wet chemical analysis. Kinetic modeling showed a significant decrease in the rate of Fh transformation for oxyanion surface complexes dominated by strong inner-sphere (SO 4 2- and AsO 4 3- ) versus weak outer-sphere (NO 3 - ) bonding and the control. The results also showed that the Fh transformation pathway is influenced by the type of surface complex such that with increasing strength of bonding, a smaller fraction of Gt forms compared with Hm. In conclusion, these findings are important for understanding and predicting the role of Fh in controlling the transport and fate of metal and metalloid oxyanions in natural and applied systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of motion cues during complex curved approach and landing tasks: A piloted simulation study

A piloted simulation study was conducted to examine the effect of motion cues using a high fidelity simulation of commercial aircraft during the performance of complex approach and landing tasks in the Microwave Landing System (MLS) signal environment. The data from these tests indicate that in a high complexity MLS approach task with moderate turbulence and wind, the pilot uses motion cues to improve path tracking performance. No significant differences in tracking accuracy were noted for the low and medium complexity tasks, regardless of the presence of motion cues. Higher control input rates were measured for all tasks when motion was used. Pilot eye scan, as measured by instrument dwell time, was faster when motion cues were used regardless of the complexity of the approach tasks. Pilot comments indicated a preference for motion. With motion cues, pilots appeared to work harder in all levels of task complexity and to improve tracking performance in the most complex approach task.

Scanlon, Charles H.↗

Selected spectroscopic and magnetic properties of lanthanide complexes in polyimide XU-218

Polyimide XU-218 films containing approximately 5 wt pct of Eu(III), Gd(III), Tb(III), and Er(III) were prepared, and the effects of complexing each of the metals with the following four ligands were investigated: N-phenylphthalamate (NPPA), 2,4-pentanedionate (AcAc), 1,3-diphenyl 1,3-propanedionate (DBM), and a new hexa-aza-macrocyclic (MAC) ligand. The tris-chelated complexes of the mononegative ligands NPPA, AcAc, and DBM produced transparent, flexible films, which had magnetic and spectral properties very similar to those of the parent lanthanide complexes, while complexes of MAC showed problems due to the presence of lattice water and yielded dark brittle films. AcAc caused little or no effect on the glass transition temperature (Tg), while NPPA and DBM complexes lowered Tg to 269-290 C, and MAC indicated moisture by inflexion at 95-100 C with a true Tg at 320 C. All lanthanide-containing films were paramagnetic.

Stoakley, D. M.↗

Mixed-Initiative Constraint-Based Activity Planning for Mars Exploration Rovers

In January, 2004, two NASA rovers, named Spirit and Opportunity, successfully landed on Mars, starting an unprecedented exploration of the Martian surface. Power and thermal concerns constrained the duration of this mission, leading to an aggressive plan for commanding both rovers every day. As part of the process for generating these command loads, the MAPGEN tool provides engineers and scientists an intelligent activity planning tool that allows them to more effectively generate complex plans that maximize the science return each day. The key to'the effectiveness of the MAPGEN tool is an underlying artificial intelligence plan and constraint reasoning engine. In this paper we outline the design and functionality of the MAEPGEN tool and focus on some of the key capabilities it offers to the MER mission engineers.

Bresina, John↗

MAPGEN: Mixed-Initiative Activity Planning for the Mars Exploration Rover Mission

This document describes the Mixed initiative Activity Plan Generation system MAPGEN. This system is one of the critical tools in the Mars Exploration Rover mission surface operations, where it is used to build activity plans for each of the rovers, each Martian day. The MAPGEN system combines an existing tool for activity plan editing and resource modeling, with an advanced constraint-based reasoning and planning framework. The constraint-based planning component provides active constraint and rule enforcement, automated planning capabilities, and a variety of tools and functions that are useful for building activity plans in an interactive fashion. In this demonstration, we will show the capabilities of the system and demonstrate how the system has been used in actual Mars rover operations. In contrast to the demonstration given at ICAPS 03, significant improvement have been made to the system. These include various additional capabilities that are based on automated reasoning and planning techniques, as well as a new Constraint Editor support tool. The Constraint Editor (CE) as part of the process for generating these command loads, the MAPGEN tool provides engineers and scientists an intelligent activity planning tool that allows them to more effectively generate complex plans that maximize the science return each day. The key to the effectiveness of the MAPGEN tool is an underlying constraint-based planning and reasoning engine.

Ai-Chang, Mitchell↗

Effects of atmospheric variations on acoustic system performance

Acoustic propagation over medium to long ranges in the atmosphere is subject to many complex, interacting effects. Of particular interest at this point is modeling low frequency (less than 500 Hz) propagation for the purpose of predicting ranges and bearing accuracies at which acoustic sources can be detected. A simple means of estimating how much of the received signal power propagated directly from the source to the receiver and how much was received by turbulent scattering was developed. The correlations between the propagation mechanism and detection thresholds, beamformer bearing estimation accuracies, and beamformer processing gain of passive acoustic signal detection systems were explored.

Nation, Robert↗

Possible NASA Contributions to HEAT

A four-year experiment (HEAT) has been proposed (one summer in the field, 2005) to determine the sources and causes for the enhanced cloud-to-ground lightning over Houston, Texas, in association with simultaneous experiments by the Environmental Protection Agency (EPA) and the Texas Natural Resource Conservation Commission (TNRCC). Houston is the third most populous city in the United States and the region contains 50% of the petroleum refining capacity of the United States. Recent studies covering the period 1989-2000 document a 50% increase of cloud-to-ground lightning in the Houston area as compared to background values, which is second in flash density only to the Tampa Bay, Florida area. It is suggested that the elevated flash densities could result from several factors, including, 1) the convergence due to the urban heat island effect and complex sea breeze, and 2) the increasing levels of air pollution from anthropogenic sources producing numerous small droplets and thereby suppressing mean droplet size. The latter effect would enable more cloud water to reach the mixed phase region where it is involved in the formation of precipitation and the separation of electric charge, leading to an enhancement of lightning. The primary goals of HEAT are to examine the effects of (1) pollution, (2) the urban heat island, and (3) the complex coastline, on storms and lightning characteristics in the Houston area. The project is a multi- agency effort and will employ numerous observing capabilities and expertise. Dr. Shepherd has been asked to serve as a possible co- investigator to contribute expertise in areas related to urban impacts on precipitation variability. Dr. Shepherd is also a key NASA representative in the interagency effort. This presentation will provide an overview of recent NASA research focused on urban rainfall in Houston and offer potential NASA capabilities that could contribute to HEAT.

Shepherd, J. M.↗

A High-Entropy Oxide as High-Activity Electrocatalyst for Water Oxidation

High-entropy materials are an emerging pathway in the development of high-activity (electro)catalysts because of the inherent tunability and coexistence of multiple potential active sites, which may lead to earth-abundant catalyst materials for energy-efficient electrochemical energy storage. In this report, we identify how the multication composition in high-entropy perovskite oxides (HEO) contributes to high catalytic activity for the oxygen evolution reaction (OER), i.e., the key kinetically limiting half-reaction in several electrochemical energy conversion technologies, including green hydrogen generation. We compare the activity of the (001) facet of LaCr 0.2 Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 O 3-δ with the parent compounds (single B-site in the ABO 3 perovskite). While the single B-site perovskites roughly follow the expected volcano-type activity trends, the HEO clearly outperforms all of its parent compounds with 17 to 680 times higher currents at a fixed overpotential. As all samples were grown as an epitaxial layer, our results indicate an intrinsic composition–function relationship, avoiding the effects of complex geometries or unknown surface composition. In-depth X-ray photoemission studies reveal a synergistic effect of simultaneous oxidation and reduction of different transition metal cations during the adsorption of reaction intermediates. The surprisingly high OER activity demonstrates that HEOs are a highly attractive, earth-abundant material class for high-activity OER electrocatalysts, possibly allowing the activity to be fine-tuned beyond the scaling limits of mono- or bimetallic oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contrasting aerosol effects on longwave cloud forcing in South East Asia and Amazon simulated with Community Atmosphere Model version 5.3

Aerosols modify cloud microphysical and radiative properties and thus impact the shortwave (SW) and longwave cloud forcing (LWCF). This study first reports the finding of contrasting aerosol effects on LWCF in South East Asia and Amazon in the Community Atmosphere Model version 5.3 (CAM5.3), which corresponds to the sum of LW indirect and semi-direct effects investigated in Ghan et al., (2012). A series of numerical experiments is conducted to decompose the complex aerosol effects on LWCF. Our analysis indicates that the cooling (negative aerosol effects on LWCF) in Amazon is due mainly to the aerosol effects on warm clouds and the inhibition of vertical motion by the aerosol-induced radiative cooling. In contrast, the warming (positive aerosol effects on LWCF) in South East Asia is due mainly to the aerosol effect on homogeneous freezing, thus reducing the ice particle size and prolonging the existence of ice cloud. Our results emphasize that a comprehensive analysis of integrated aerosol effects on both warm and ice clouds is necessary for better understanding the aerosol effects on LWCF.

54 ENVIRONMENTAL SCIENCES↗