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At least 19 records

Theoretical studies of the transition metal-carbonyl systems MCO and M(CO)2, M = Ti, Sc, and V

Large Gaussian basis sets and an electron correlation treatment are used in ab initio calculations on the transition metal-carbonyl systems MCO and N(CO)2 for M = Ti, Sc, and V. The results show that high-spin ground states are favored for the monocarbonyl molecules, and that for the dicarbonyl molecules there is a competition between high, intermediate, and low spin states which are very close in energy. Dissociation energies of 0.62 eV for Ti-CO and 1.02 for Ti(CO)2 are found, relative to the ground state Ti atomic asymptote and CO 1Sigma(+). The binding energy per carbonyl for the three metal atoms is shown to be significantly lower for the dicarbonyl than for the the monocarbonyl molecules.

Barnes, Leslie A.↗

Characterization of the Alkali Metal Oxalates (MC2O4-) and their formation by CO2 reduction via the Alkali Metal Carbonites (MCO2-)

The reduction of carbon dioxide to oxalate has been studied by experimental Collisionally Induced Dissociation (CID) and vibrational characterization of the alkali metal oxalates, supplemented by theoretical electronic structure calculations. The critical step in the reductive process is the coordination of the heterocumulene CO2 to an alkali metal anion, forming a metal carbonite MCO2 ablt to subsequently add a second CO2 molecule. While the energetic demand for these reactions is generally low, we find that the degree of activation of CO2 in terms of charge transfer and transition state energies is the highest for lithium and systematically decreases down the group (M - Li - Cs).

Jestila, Joakim S.↗

Master Console, SMC

The Master Console oversees the function of Computer Systems in Firing room 1 (FR1). Master Console Operators, MCOs' for short, are our customer. I was integrated into the System Monitoring and Control (SMC) software team that is under the guidance of David Slaiman, who is the product group lead. I have been brought up to speed with System Monitoring and Control. The initial time spent reading SMC software design description and understanding how it works. The current Firing Room 1 Console Display is a floor layout giving the MCO two essential pieces of information which are Health and Status. When an issue arises, the MCO has to look on the display to find which console is affected and then the MCO must use the Reference designator from the display to manually search for the Portal Workstation (PWS) installed in the console using the hardware map; which is a long process to lookup a PWS if an issue is present. My project is to make the FR1 Console Display easier for the MCO's to pinpoint PWS's without having to lookup additional resources in the process. My project also includes updating Firing Room 1 Console Display to include the F1R Non-Redundant Set. The display does not have good use of space and functionality. PWS numbers were not present in the previous design and are the critical component in efficient understanding and administration of the consoles. Part of the process includes getting feedback from the customer, instead of just emailing them with a question, we made a proposal with changes so they could respond and give us their input; which proved to be an effective method for engaging them. In order to do this I had to use the Display Editor (DE) tool developed by NASA, Paint.Net and Visio. The process I have been using has been Visio to alter the floor layout of Firing Room and take advantage of the white areas, and then I take the altered floor plan into Paint.Net. Once in Paint.Net I put the new floor plan as a background to the standard console display. Paint.Net also serves as a tool to create the new service state bars for the new background; finally I used the DE to assemble everything and setup the right CUI's for each PWS.

MCO↗

SMC Message Browser Projects

I work directly with the System Monitoring and Control (SMC) software engineers who develop, test and release custom and commercial software in support of the Kennedy Space Center Spaceport Command and Control System. (SCCS). SMC uses Commercial Off-The-Shelf (COTS) Enterprise Management Systems (EMS) software which provides a centralized subsystem for configuring, monitoring, and controlling SCCS hardware and software used in the Control Rooms. There are multiple projects being worked on using the COTS EMS software. I am currently working with the HP Operations Manager for UNIX (OMU) software which allows Master Console Operators (MCO) to access, view and interpret messages regarding the status of the SCCS hardware and software. The OMU message browser gets cluttered with messages which can make it difficult for the MCO to manage. My main project involves determining ways to reduce the number of messages being displayed in the OMU message browser. I plan to accomplish this task in two different ways: (1) by correlating multiple messages into one single message being displayed and (2) to create policies that will determine the significance of each message and whether or not it needs to be displayed to the MCO. The core idea is to lessen the number of messages being sent to the OMU message browser so the MCO can more effectively use it.

OMU↗

Synthesis of MgCo 2 O 4 -coated Li 4 Ti 5 O 12 composite anodes using co-precipitation method for lithium-ion batteries

In the present work, we report synthesis of MgCo 2 O 4 (MCO)/Li 4 Ti 5 O 12 (LTO) composites for Li-ion battery anodes by a co-precipitation method. The objective here is to replace expensive Co with Mg and also to exploit advantages of both MCO and LTO. Three samples of MCO/LTO particles with different MCO proportion have various average particle sizes of 38.1, 56.9, and 58.5 nm, confirmed by scanning electron microscopy. Electrochemical studies show that a MCO/LTO anode offers a discharge capacity of ca. 300 mAh g -1 , which is two times higher than that achieved by pristine LTO. The MCO/LTO anode also retains 75% of its initial capacity, even if the discharge rate is increased to 5 C. Cyclic stability test reveals that the composite anode still maintains nearly 85.5% of its initial capacity after 150 cycles. Electrochemical impedance spectroscopy indicates that the equivalent series resistance of MCO/LTO electrodes is significantly lower than that of LTO, i.e., from 35.5 to 9.9 Ω. The enhanced performance of the composite electrodes can be attributed to its improved conductivity as well as to the surface modification of LTO particles by MCO nanoparticle deposition which leads to increased number of active sites on the former.

25 ENERGY STORAGE↗

Report on the loss of the Mars Climate Orbiter Mission : JPL special review board

The Mars Climate Orbiter (MCO) was launched on December 11, 1998. The MCO was to arrive at Mars and begin orbit insertion on September 23, 1999. The Mars Orbit Insertion (MOI) burn, a 16-minute maneuver to slow the spacecraft and enable capture into an orbit around Mars, began on schedule. Five minutes into the maneuver, and approximately 49 seconds before the anticipated time for loss of communication, the MCO was occulted by Mars. Thereafter, no contact with the spacecraft could be established. On September 24, 1999, an internal JPL team (the MCO Peer Review Team) was appointed to help investigate the reason for the loss of spacecraft signal. The Peer Review Team's findings are presented in this report.

Mars Climate Orbiter↗

Dynamic oxidation of (Mn,Co) 3 O 4 -Coated interconnects for solid oxide electrolysis cells

Solid oxide electrolysis cell stacks are expected to experience dynamic conditions when using renewable electricity derived from wind or solar power. To address this scenario, (Mn,Co) 3 O 4 (MCO)-coated Crofer 22 APU interconnect coupons are subjected to thermal cycling, and intermittent current density, with gas compositions relevant to high-temperature electrolysis (elevated steam:hydrogen ratio and oxygen content). Defects are also intentionally introduced in the MCO coating, to assess whether the difference in oxidation properties of the adjacent coated and uncoated (defective) surfaces causes sufficient stress to damage the protective oxide scale. Specimens with defects are subjected to oxidation for 1000 h at 800 °C, or thermal cycling. Before thermal cycling, some specimens are pre-oxidized to create a thick oxide scale to mimic the scale thickness expected after ~30 kh operation. In all cases, the coating and oxide scale remain well adhered with no cracking observed. Area-specific resistance (ASR) is monitored in both single-atmosphere and dual-atmosphere conditions, and the ASR is stable and is not impacted by dynamic cycling of the current density. Finally, this work provides confidence that the MCO coated interconnect will function as needed in dynamic operation conditions, even with coating defects.

08 HYDROGEN↗

The concentration of BTEX in selected urban areas of Malaysia during the COVID-19 pandemic lockdown

Volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene and xylene (BTEX) are air pollutants that harm human health. This study aims to identify BTEX concentrations before the lockdown known as the Movement Control Order was imposed (BMCO), during the implementation of the Movement Control Order (MCO), and then during the Conditional Movement Control Order (CMCO). These orders were introduced during the COVID-19 pandemic in Malaysia. The study utilised data measured by the continuous monitoring of BTEX using online gas chromatography instruments located at three urban area stations. Here, the results showed that the BTEX concentrations reduced by between –38% and –46% during the MCO compared to the BMCO period. The reduction of human mobility during the MCO and CMCO influenced the lower BTEX concentrations recorded at a station within the Kuala Lumpur area. The results of the BTEX diagnostic ratios and principal component analysis showed that the major source of BTEX, especially during the BMCO and CMCO periods, was motor vehicle emissions. Further investigation, using correlation analysis and polar plots, showed that the BTEX concentrations were also influenced by meteorological variables such as wind speed, air temperature and relative humidity.

54 ENVIRONMENTAL SCIENCES↗

The Pascal Discovery Mission: A Mars Climate Network Mission

The climate of Mars is a major focus of Mars exploration. With the loss of MCO, however, it remains uncertain how it will be achieved. We argue that a truly dedicated climate mission to Mars should have both orbital and landed components, and that these should operate simultaneously for at least 1 Mars year if not longer. Pascal is a Discovery mission that emphasizes the landed component. Its principal goal is to establish a network of 24 small weather stations on the surface of Mars that will operate for 2 Mars years, with an extended mission option for an additional 8 Mars years bringing the total mission lifetime up to 10 Mars years. The stations will collect hourly measurements of pressure, temperature, and optical depth. After delivering the probes to Mars, Pascal's carrier spacecraft will go into an elliptical orbit which will serve as a relay for the landers, and a platform for synoptic imaging. These simultaneous measurements from the surface and from orbit will allow us to characterize the planet's general circulation and its interaction with the dust, water, and CO2 cycles. During entry, descent, and landing, each of Pascal's 24 probes will also measure the temperature structure of the atmosphere and acquire images of the surface. These data will allow us to determine the global structure of the atmosphere between 15 and 130 km, and characterize the local terrain to help interpret the landed data. The descent images are part of Pascal's outreach program, as the probe camera system will be developed by faculty-supervised student project. The intent is to generate enthusiasm for the Pascal mission by directly involving students. Pascal will be launched on a Delta II-7925 in August of 2005. A type I trajectory will deliver Pascal to Mars in January of 2006. On approach, the three-axis stabilized carrier spacecraft will spring deploy the Pascal probes in 4 separate salvo's of 6 each. Global coverage is achieved with small time-of-arrival adjustments in between each salvo. Pascal's probes utilize an aeroshell, parachute, and crushable material for entry, descent and landing. On the surface, their long life and global coverage is enabled by a Micro Thermal Power Source with demonstrated heritage. After all probes are released, the carrier spacecraft will execute a small burn for insertion into an elliptical orbit. The long lifetime of the Pascal network was chosen in part to maximize the chances that orbital sounding, like that planned with MCO, would occur at some point during the mission. If Pascal is selected for launch in '05, this could occur if MCO-like science is reflown in the '05 opportunity or, if it is reflown in '03, the mission is extended to overlap with Pascal. The combination of temperature sounding from orbit, and surface pressure mapping from the surface will allow a direct determination of the full 3-D wind field for the first time.

Haberle, R. M.↗

The Pascal Discovery Mission: A Mars Climate Network Mission

The climate of Mars is a major focus of Mars exploration. With the loss of MCO, however, it remains uncertain how it will be achieved. We argue that a truly dedicated climate mission to Mars should have both orbital and landed components, and that these should operate simultaneously for at least I Mars year if not longer. Pascal is Discovery mission that emphasizes the landed component. Its principal goal is to establish a network of 24 small weather stations on the surface of Mars that will operate for 2 Mars years, with an extended mission option for an additional 8 Mars years bringing the total mission lifetime up to 10 Mars years. The stations will collect hourly measurements of pressure, temperature, and optical depth. After delivering the probes to Mars, Pascal's carrier spacecraft will go into an elliptical orbit which will serve as a relay for the landers, and a platform for synoptic imaging. These simultaneous measurements from the surface and from orbit will allow us to characterize the planet's general circulation and its interaction with the dust, water, and CO2 cycles. During entry, descent, and landing, each of Pascal's 24 probes will also measure the temperature structure of the atmosphere and acquire images of the surface. These data will allow us to determine the global structure of the atmosphere between 15 and 130 km, and characterize the local terrain to help interpret the landed data. The descent images are part of Pascal's outreach program, as the probe camera system will be developed by faculty-supervised student project. The intent is to generate enthusiasm for the Pascal mission by directly involving students. Pascal will be launched on a Delta 11-7925 in August of 2005. A type I trajectory will deliver Pascal to Mars in January of 2006. On approach, the three-axis stabilized carrier spacecraft will spring deploy the Pascal probes in 4 separate salvo's of 6 each. Global coverage is achieved with small time-of-arrival adjustments in between each salvo. Pascal's probes utilize an aeroshell, parachute, and crushable material for entry, descent and landing. On the surface, their long life and global coverage is enabled by a Micro Thermal Power Source with demonstrated heritage. After all probes are released, the carrier spacecraft will execute a small bum for insertion into an elliptical orbit. The long lifetime of the Pascal network was chosen in part to maximize the chances that orbital sounding, like that planned with MCO, would occur at some point during the mission. If Pascal is selected for launch in -05, this could occur if MCO-like science is reflown in the '05 opportunity or, if it is reflown in '03, the mission is extended to overlap with Pascal. The combination of temperature sounding from orbit, and surface pressure mapping from the surface will allow a direct determination of the full 3-D wind field for the first time.

Haberle, Robert M.↗

Performance of stainless steel interconnects with (Mn,Co) 3 O 4 -Based coating for solid oxide electrolysis

Mixed transition-metal oxide coatings are commonly applied to stainless steel interconnects for solid oxide cell stacks. Such coatings reduce oxidation and Cr evaporation rates, leading to improved degradation rate and stack lifetime. Here, the ChromLok™ MCO-based composition (Mn,Co) 3 O 4 is applied to Crofer 22 APU stainless steel and evaluated specifically for application in solid oxide electrolyzer stacks operating around 800 °C and utilizing oxygen-ion-conducting solid oxide cells. The MCO coating is found to decrease the stainless steel oxidation rate by about one order of magnitude, and decrease the Cr evaporation rate by fourfold. Furthermore, the coating also dramatically lowers the rate of area-specific resistance increase for stainless steel coupons oxidized for 500 h with constant current applied, from 33 mΩ*cm 2 kh -1 for an uncoated coupon to less than 4 mΩ*cm2 kh -1 for coated coupons. The coating is demonstrated on full-scale interconnects for single-cells, where the coating dramatically reduces degradation rate, and for a stack, which displays stable operation for 700 h.

08 HYDROGEN↗

Cryo-EM Structure of the Mnx Protein Complex Reveals a Tunnel Framework for the Mechanism of Manganese Biomineralization

The global manganese cycle relies on microbes to oxidize soluble Mn(II) to insoluble Mn(IV) oxides. Some microbes require peroxide or superoxide as oxidants, but others can use O 2 directly, via multicopper oxidase (MCO) enzymes. One of these, MnxG from Bacillus sp. strain PL-12, was isolated in tight association with small accessory proteins, MnxE and MnxF. The protein complex, called Mnx, has eluded crystallization efforts, but we now report the 3D structure of a point mutant using cryo-EM single particle analysis, cross-linking mass spectrometry, and AlphaFold Multimer prediction. The ß-sheet–rich complex features MnxG enzyme, capped by a heterohexameric ring of alternating MnxE and MnxF subunits, and a tunnel that runs through MnxG and its MnxE 3 F 3 cap. The tunnel dimensions and charges can accommodate the mechanistically inferred binuclear manganese intermediates. Furthermore, comparison with the Fe(II)-oxidizing MCO, ceruloplasmin, identifies likely coordinating groups for the Mn(II) substrate, at the entrance to the tunnel. Thus, the 3D structure provides a rationale for the established manganese oxidase mechanism, and a platform for further experiments to elucidate mechanistic details of manganese biomineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Highly-Conductive and Durable SOFC Cathode-Side Contact Based on Reactively-Sintered Mn-Co Spinel

A cathode-side contact layer with well-matched coefficient of thermal expansion is needed to prevent cracking of solid oxide fuel cell stacks from thermal cycling during stack operations. An Mn 1.25 Co 1.75 O 4 (MCO) spinel layer synthesized via reactive sintering with a metal-containing precursor was proposed as a highly conductive and durable contact material. Compared to the interconnect/contact/cathode assemblies with the (La 0.80 Sr 0.20 ) 0.95 MnO 3-x and La(Mn 0.45 Co 0.35 Cu 0.2 )O 3 contacts, the assembly with the MCO contact exhibited the lowest area-specific resistance at 800 °C (8.2 mΩ·cm 2 ) during 2000-h cyclic exposure and was crack-free based on the cross-sectional examination, indicative of the superiority of the spinel contact over the perovskite counterparts.

Electrochemistry↗

High Throughput In-Line Coating Metrology Development for Solid Oxide Fuel Cell Manufacturing

Coatings play key roles in solid oxide fuel cell (SOFC) stack durability. For example, diffusion barrier coatings on Cr-containing interconnect and balance of plant (BOP) components protect electrodes from Cr poisoning over the long operational lifetimes (>10,000 hours) of the fuel cell stack. Common defects in coatings, such as cracks, pinholes, and porosity, result in a failure to protect the electrodes, resulting in shorter operational lifetime and thus higher cost. It is very unlikely, even in the best coating process, that all these defects can be mitigated, hence identifying critical defects in parts, and removing defective parts from production before they can damage the stack, becomes paramount. Furthermore, these quality control techniques must be operational in the production/assembly line (in-line), i.e., high throughput and non-destructive, and cost effective. Redox Power Systems, LLC (Redox) together with the National Renewable Energy Laboratory (NREL) developed much needed high throughput, in-line metrology techniques for protective coatings. The overall goal of the project is to lower cost while increasing robustness, reliability, and endurance of SOFC stacks. To accomplish this, we had several objectives, including: to identify key coating and substrate defects that lead to coating failure through the use of detailed characterization methods (e.g., microscopy, XRD, EDS, electrochemistry); to assess capabilities of in-line metrology techniques, e.g., optical profilometry (Redox) and thermography (NREL), to probe these defects, or evidence thereof; demonstrate long-term performance of “defect-free” protective coatings, as identified by in-line metrology, in solid oxide fuel cell (SOFC) stack operation. In the first part of this project, the ability to identify key defects expected to lead to coating and SOFC degradation using in-line metrology tools were evaluated. Coated interconnect samples with controlled defect types and populations were tested under conditions similar to SOFC operation, followed by detailed post-test analysis to reveal the defects responsible for observed degradation. In the second part of the project, the optimal in-line metrology techniques and methodologies were used to map the defect distribution in full-size interconnects with critical defects intentionally allowed to exist in some cases. These interconnects underwent SOFC testing for extended periods (up to ~3,000 hours) followed by post-test analysis to evaluate the effectiveness of in-line metrology techniques in mitigating MCO coating related degradation. Key accomplishments in this project included the following: Demonstrated ASR of < 0.05 ohm-cm 2 at 650 °C for 1,000 hours with low defect (determined by in-line metrology) interconnect samples (average ASR=37 milliohms-cm 2 after over 1,000 hours). Demonstrated that low defect coatings on interconnects (as screened using in-line metrology) have low volatilization of chromium at ~650 °C for 1,000 hours as detected using Cr-getter material (< 5 at% increase above baseline); 1022 hour duration tests under humidified, elevated temperature (750 °C rather than 650 °C) compared a base case against different coating thicknesses. Demonstrated capability to identify initial key defects of interest with in-line metrology techniques using up to 8 cm by 10 cm having coatings with and without intentional defects of interest using thermal imaging and optical profilometry. Correlated key defects identified using metrology techniques with observed coating performance (e.g., ASR and Cr volatility). Conducted several 4 cm by 4 cm cell tests using MCO-interconnects that were pre-screened using some of the metrology techniques developed in the project (e.g., optical profilometry). An analysis of ASR measurements were able to show that defect-free coatings resulted in the anticipated performance in the cell tests.

01 COAL, LIGNITE, AND PEAT↗

Report on the Loss of the Mars Polar Lander and Deep Space 2 Missions

NASA's Mars Surveyor Program (MSP) began in 1994 with plans to send spacecraft to Mars every 26 months. Mars Global Surveyor (MGS), a global mapping mission, was launched in 1996 and is currently orbiting Mars. Mars Surveyor '98 consisted of Mars Climate Orbiter (MCO) and Mars Polar Lander (MPL). Lockheed Martin Astronautics (LMA) was the prime contractor for Mars Surveyor '98. The Jet Propulsion Laboratory (JPL), California Institute of Technology, manages the Mars Surveyor Program for NASA's Office of Space Science. MPL was developed under very tight funding constraints. The combined development cost of MPL and MCO, including the cost of the two launch vehicles, was approximately the same as the development cost of the Mars Pathfinder mission, including the cost of its single launch vehicle. The MPL project accepted the challenge to develop effective implementation methodologies consistent with programmatic requirements.

Albee, Arden↗

Mars Climate Orbiter's Investigation of the Atmosphere and Polar Caps

The Mars Climate Orbiter (MCO) is now on its way to Mars. It carries an atmospheric sounder whose observations will provide a continuous, global data set on weather and climate for a full Martian year. This paper describes the observation strategy and anticipated results from the Pressure Modulator Infrared Radiometer (PMIRR). PMIRR will measure vertical profiles of atmospheric infrared radiance in the 7 to 50 micron wavelength region extending from the surface of Mars to 80-km altitude. The observations have a vertical resolution of 5 km, or one-half the atmospheric scale height. From these radiance profiles we will retrieve profiles of atmospheric temperature, pressure, and the amounts of dust, condensates and water vapor. In addition, PMIRR will measure the radiative balance of the polar regions of Mars in an effort to better understand the short-term climate variability of the planet. The information obtained with PMIRR on MCO will be complementary to data obtained by the Thermal Emission Spectrometer (TES) and Radio Science (RS) experiments on the Mars Global Surveyor. A major emphasis of our research will be the assimilation of PMIRR data into numerical models of the Martian atmosphere. Assimilation schemes, of which several are currently in development, will permit the extension of measurements to spatial and temporal scales and to phenomena (e.g. winds) not observed directly by PMIRR.

McCleese, D. J.↗

Report on Automated Semantic Analysis of Scientific and Engineering Codes

The loss of the Mars Climate Orbiter due to a software error reveals what insiders know: software development is difficult and risky because, in part, current practices do not readily handle the complex details of software. Yet, for scientific software development the MCO mishap represents the tip of the iceberg; few errors are so public, and many errors are avoided with a combination of expertise, care, and testing during development and modification. Further, this effort consumes valuable time and resources even when hardware costs and execution time continually decrease. Software development could use better tools! This lack of tools has motivated the semantic analysis work explained in this report. However, this work has a distinguishing emphasis; the tool focuses on automated recognition of the fundamental mathematical and physical meaning of scientific code. Further, its comprehension is measured by quantitatively evaluating overall recognition with practical codes. This emphasis is necessary if software errors-like the MCO error-are to be quickly and inexpensively avoided in the future. This report evaluates the progress made with this problem. It presents recommendations, describes the approach, the tool's status, the challenges, related research, and a development strategy.

Stewart. Maark E. M.↗

Earth Independent Operations Development for NASA’s Mars Campaign Office

NASA’s Moon to Mars Objectives lay out a strategic vision for the future of human spaceflight that culminates in crewed missions to the surface of Mars. The Mars Campaign Office (MCO) of the Moon to Mars Program is responsible for developing the technologies and capabilities necessary to support Mars missions. One such set of technologies supports a need for increased independence from Earth driven primarily by a communications delay between Earth and Mars that can reach twenty minutes or more. This paper lays out the initial strategy and approach for the MCO Earth-Independent Operations (EIO) portfolio and identifies areas targeted for investment between now and Mars missions tentatively planned for the early 2040s.

Ian D Maddox↗