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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Debris/ice/TPS assessment and integrated photographic analysis for Shuttle Mission STS-62

A pre-launch debris inspection of the pad and Shuttle vehicle was conducted on 2 March 1994. The detailed walkdown of Launch Pad 39B and MLP-1 also included the primary flight elements OV-102 Columbia (16th flight), ET-62 (LWT 55), and BI-064 SRB's. There were no significant facility or vehicle anomalies. After the launch on March 4th, a debris inspection of Pad 39B was performed. Damage to the pad overall was minimal. On-orbit photographs taken by the flight crew and two films from the ET/ORB umbilical cameras of the External Tank after separation from the Orbiter revealed no major damage or lost flight hardware that would have been a safety of flight concern. Orbiter performance on final approach appeared normal. Infrared imagery of landing gear deployment showed the loss of thermal barrier from the nose gear wheel well. The missing thermal barrier material was not recovered. The Solid Rocket Boosters were inspected at Hanger AF after retrieval. Both frustums had a combined total of 44 MSA-2 debonds over fasteners. Significant amounts of BTA had been applied to closeouts on the RH frustum, forward skirt, and aft skirt. Hypalon paint was blistered/missing over the areas were the BTA had been applied. The underlying BTA was not sooted (IFA STS-62-B-1). Investigation of this condition has concluded there was insufficient heat rates to cause blistering of the Hypalon until late in the ascent phase. A post landing inspection of OV-102 was conducted after the landing at KSC. The Orbiter TPS sustained a total of 97 hits, of which 16 had a major dimension of 1 inch or larger. The Orbiter lower surface had a total of 36 hits, of which 7 had a major dimension of 1 inch or larger. Based on these numbers and comparison to statistics from previous missions of similar configuration, both the total number of debris hits and the number of hits 1 inch or larger was less than average. Six thermal barriers, total size approximately 36 in. x 3 in. x 1.5 in., and one corner tile piece 4 in. x 4 in., were missing from the nose landing gear doors. Runway infrared cameras recorded these objects falling from the Orbiter when the nose landing gear doors were opened on final approach. A search of the area under the flight path failed to recover the missing thermal batteries, which may be submerged in the large body of water south of the runway. The cause for the loss of the material was attributed to the way the substrate was prepared for bonding at the vendor. Orbiter post landing microchemical sample results revealed a variety of residuals in the Orbiter window samples. These were attributed to SRB BSM exhaust, Orbiter TPS, window protective covers and processing, natural landing site products, and paints/primers from various sources. The residual sampling data do not indicate a single source of damaging debris and all of these materials have been documented previously in analyses for post landing sample reports. Data from residual sampling also showed no trends when compared to previous mission data. A total of ten Post Launch Anomalies, including one IFA, were observed during the STS-62 mission assessment.

Katnik, Gregory N.↗
NASA NTRS1994

Continuous monitoring of bacterial attachment

A major concern with the Space Station Freedom (SSF) water supply system is the control of longterm microbial contamination and biofilm development in the water storage and distribution systems. These biofilms have the potential for harboring pathogens as well as microbial strains containing resistance factors that could negatively influence crew health. The proposed means for disinfecting the water system on SSF (iodine) may encourage the selection of resistant strains. In fact, biofilm bacteria were observed in water lines from the Space Shuttle Columbia (OV-102); therefore, an alternative remediation method is required to disinfect spacecraft water lines. A thorough understanding of colonization events and the physiological parameters that will influence bacteria adhesion is required. The limiting factor for development of this technology is the ability to continuously monitor adhesion events and the effects of biocides on sessile bacteria. Methods were developed to allow bacterial adhesion and subsequent biocidal treatment to be monitored continuously. This technique couples automated image analysis with a continuous flow of a bacterial suspension through an optical flow cell. A strain of Pseudomonas cepacia isolated from the water supply of the Space Shuttle Discovery (OV-103) during STS-39 was grown in a nitrogen-limited continuous culture. This culture was challenged continuously with iodine during growth, and the adhesion characteristics of this strain was measure with regard to flow rate. Various biocides (ozone, hypochlorite, and iodine) were added to the flow stream to evaluate how well each chemical removed the bacteria. After biocide treatment, a fresh bacterial suspension was introduced into the flow cell, and the attachment rate was evaluated on the previously treated surface. This secondary fouling was again treated with biocide to determine the efficacy of multiple batch chemical treatments in removing biofilm.

Koeing, D. W.↗
NASA NTRS1995

STS-63 Space Shuttle report

The STS-63 Space Shuttle Program Mission Report summarizes the Payload activities and provides detailed data on the Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Reusable Solid Rocket Motor (RSRM), and the Space Shuttle Main Engine (SSME) systems performance during this sixty-seventh flight of the Space Shuttle Program, the forty-second since the return to flight, and twentieth flight of the Orbiter vehicle Discovery (OV-103). In addition to the OV-103 Orbiter vehicle, the flight vehicle consisted of an ET that was designated ET-68; three SSME's that were designated 2035, 2109, and 2029 in positions 1, 2, and 3, respectively; and two SRB's that were designated BI-070. The RSRM's that were an integral part of the SRB's were designated 360Q042A for the left SRB and 360L042B for the right SRB. The STS-63 mission was planned as an 8-day duration mission with two contingency days available for weather avoidance or Orbiter contingency operations. The primary objectives of the STS-63 mission were to perform the Mir rendezvous operations, accomplish the Spacehab-3 experiments, and deploy and retrieve the Shuttle Pointed Autonomous Research Tool for Astronomy-204 (SPARTAN-204) payload. The secondary objectives were to perform the Cryogenic Systems Experiment (CSE)/Shuttle Glo-2 Experiment (GLO-2) Payload (CGP)/Orbital Debris Radar Calibration Spheres (ODERACS-2) (CGP/ODERACS-2) payload objectives, the Solid Surface Combustion Experiment (SSCE), and the Air Force Maui Optical Site Calibration Tests (AMOS). The objectives of the Mir rendezvous/flyby were to verify flight techniques, communication and navigation-aid sensor interfaces, and engineering analyses associated with Shuttle/Mir proximity operations in preparation for the STS-71 docking mission.

Fricke, Robert W., Jr.↗
NASA NTRS1995

STS-71, Space Shuttle Mission Report

The STS-71 Space Shuttle Program Mission Report summarizes the Payload activities and provides detailed data on the Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Reusable Solid Rocket Motor (RSRM), and the Space Shuttle main engine (SSME) systems performance. STS-71 is the 100th United States manned space flight, the sixty-ninth Space Shuttle flight, the forty-fourth flight since the return-to-flight, the fourteenth flight of the OV-104 Orbiter vehicle Atlantis, and the first joint United States (U.S.)-Russian docking mission since 1975. In addition to the OV-104 Orbiter vehicle, the flight vehicle consisted of an ET that was designated ET-70; three SSMEs that were designated 2028, 2034, and 2032 in positions 1, 2, and 3, respectively; and two SRBs that were designated Bl-072. The RSRMs that were an integral part of the SRBs were designated 360L045A for the left SRB and 360W045B for the right SRB. The STS-71 mission was planned as a 1 0-day plus 1-day-extension mission plus 2 additional days for contingency operations and weather avoidance. The primary objectives of this flight were to rendezvous and dock with the Mir Space Station and perform on-orbit joint U.S.-Russian life sciences investigations, logistical resupply of the Mir Space Station, return of the United States astronaut flying on the Mir, the replacement of the Mir-18 crew with the two-cosmonaut Mir-19 crew, and the return of the Mir-18 crew to Earth. The secondary objectives were to perform the requirements of the IMAX Camera and the Shuttle Amateur Radio experiment-2 (SAREX-2).

Frike, Robert W., Jr.↗
NASA NTRS1995

STS-73 Space Shuttle Mission Report

The STS-73 Space Shuttle Program Mission Report summarizes the Payload activities as well as the Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Reusable Solid Rocket Motor (RSRM), and the Space Shuttle main engine (SSME) systems performance during the seventy-second flight of the Space Shuttle Program, the forty-seventh flight since the return-to-flight, and the eighteenth flight of the Orbiter Columbia (OV-102). STS-73 was also the first flight of OV-102 following the vehicle's return from the Orbiter Maintenance Down Period (OMDP). In addition to the Orbiter, the flight vehicle consisted of an ET that was designated ET-73; three SSME's that were designated as serial numbers 2037 (Block 1), 2031 (PH-1), and 2038 (Block 1) in positions 1, 2, and 3, respectively; and two SRB's that were designated BI-075. The RSRM's, designated RSRM-50, were installed in each SRB and the individual RSRM's were designated as 36OL050A for the left SRB, and 36OW050B for the right SRB. The primary objective of this flight was to successfully perform the planned operations of the United States Microgravity Laboratory (USML)-2 payload.

Fricke, Robert W., Jr.↗
NASA NTRS1996

A Search for EUV Emission from the O4f Star Zeta Puppis

We obtained a 140 ks EUVE observation of the O4f star, zeta Puppis. Because of its low ISM column density and highly ionized stellar wind, a unique EUV window is accessible for viewing between 128 to 140 A, suggesting that this star may he the only O star observable with the EUVE. Although no SW spectrometer wavelength bin had a signal to noise greater than 3, a bin at 136 A had a signal to noise of 2.4. This bin is where models predict the brightest line due to OV emission should occur. We present several EUV line emission models. These models were constrained by fitting the ROSAT PSPC X-ray data and our EUVE data. If the OV emission is real, the best fits to the data suggest that there are discrepancies in our current understanding of EUV/X-ray production mechanisms. In particular, the emission measure of the EUV source is found to be much greater than the total wind emission measure, suggesting that the EUV shock must produce a very large density enhancement. In addition, the location of the EUV and X-ray shocks are found to be separated by approx. 0.3 stellar radii, but the EUV emission region is found to be approx. 400 times larger than the X-ray emission region. We also discuss the implications of a null detection and present relevant upper limits.

Waldron, Wayne L.↗
NASA NTRS1996

STS-77 Space Shuttle Mission Report

The STS-77 Space Shuttle Program Mission Report summarizes the Payload activities as well as the: Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Reusable Solid Rocket Motor (RSRM), and the Space Shuttle Main Engine (SSME) systems performance during the seventy-seventh flight of the Space Shuttle Program, the fifty-second flight since the return-to-flight, and the eleventh flight of the Orbiter Endeavour (OV-105). STS-77 was also the last flight of OV-105 prior to the vehicle being placed in the Orbiter Maintenance Down Period (OMDP). In addition to the Orbiter, the flight vehicle consisted of an ET that was designated ET-78; three SSME's that were designated as serial numbers 2037, 2040, and 2038 in positions 1, 2, and 3, respectively; and two SRB's that were designated BI-080. The RSRM's, designated RSRM-47, were installed in each SRB and the individual RSRM's were designated as 360TO47A for the left SRB, and 360TO47B for the right SRB. The STS-77 Space Shuttle Program Mission Report fulfills the Space Shuttle Program requirement as documented in NSTS 07700, Volume VII, Appendix E. The requirement stated in that document is that each organizational element supporting the Program will report the results of their hardware (and software) evaluation and mission performance plus identify all related in-flight anomalies. The primary objectives of this flight were to successfully perform the operations necessary to fulfill the requirements of Spacehab-4, the SPARTAN 207/inflatable Antenna Experiment (IAE), and the Technology Experiments Advancing Missions in Space (TEAMS) payload. Secondary objectives of this flight were to perform the experiments of the Aquatic Research Facility (ARF), Brilliant Eyes Ten-Kelvin Sorption Cryocooler Experiment (BETSCE), Biological Research in Canisters (BRIC), Get-Away-Special (GAS), and GAS Bridge Assembly (GBA). The STS-77 mission was planned as a 9-day flight plus 1 day, plus 2 contingency days, which were available for weather avoidance or Orbiter contingency operations. The sequence of events for the STS-77 mission is shown in Table 1, and the Space Shuttle Vehicle Management Office Problem Tracking List is shown in Table 11. The Government Fumished Equipment/Flight Crew Equipment (GFE/FCE) Problem Tracking List is shown in Table II. Appendix A lists the sources of data, both formal and informal, that were used to prepare this report. Appendix B provides the definition of acronyms and abbreviations used throughout the report. All times during the flight are given in Greenwich mean time (G.m.t.) and mission elapsed time (MET). The six-person crew for STS-77 consisted of John H. Casper, Col., U. S. Air Force, Commander; Curtis L. Brown, Jr., Lt. Col., U. S. Air Force, Pilot; Andrew S. W. Thomas, Civilian, Ph.D., Mission Specialist 1; Daniel W. Bursch, CDR., U. S. Navy, Mission Specialist 2; Mario Runco, Jr., Civilian, Mission Specialist 3; and Marc Gameau, Civilian, PhD, Mission Specialist 4.

Fricke, Robert W., Jr.↗
NASA NTRS2005

Analysis of Black Bearing Balls from a Space Shuttle Body Flap Actuator

A significantly deteriorated ball bearing mechanism from a body flap actuator on Space Shuttle OV-103 was disassembled and the balls submitted for analysis in conjunction with Return to Flight activities. The OV-103 balls, referred to as the "black balls", were subjected to X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FT-IR) and Raman micro spectroscopy, surface profilometry, and optical and electron microscopy. The spectroscopic results in combination with microscopy analysis allowed a determination of the lubricant degradation pathway. The chemical attack mechanism does not adequately explain the unique visual appearance of the black balls. Numerous efforts have unsuccessfully focused on duplication of the phenomena causing this unique surface structure and appearance of the black balls. Further detail will be presented supporting these conclusions along with plausible explanations of the unique black appearance to the balls.

Sovinski, Marjorie F.↗
NASA NTRS2005

CORRELATED ERRORS IN EARTH POINTING MISSIONS

Two different Earth-pointing missions dealing with attitude control and dynamics changes illustrate concerns with correlated error sources and coupled effects that can occur. On the OrbView-2 (OV-2) spacecraft, the assumption of a nearly-inertially-fixed momentum axis was called into question when a residual dipole bias apparently changed magnitude. The possibility that alignment adjustments and/or sensor calibration errors may compensate for actual motions of the spacecraft is discussed, and uncertainties in the dynamics are considered. Particular consideration is given to basic orbit frequency and twice orbit frequency effects and their high correlation over the short science observation data span. On the Tropical Rainfall Measuring Mission (TRMM) spacecraft, the switch to a contingency Kalman filter control mode created changes in the pointing error patterns. Results from independent checks on the TRMM attitude using science instrument data are reported, and bias shifts and error correlations are discussed. Various orbit frequency effects are common with the flight geometry for Earth pointing instruments. In both dual-spin momentum stabilized spacecraft (like OV-2) and three axis stabilized spacecraft with gyros (like TRMM under Kalman filter control), changes in the initial attitude state propagate into orbit frequency variations in attitude and some sensor measurements. At the same time, orbit frequency measurement effects can arise from dynamics assumptions, environment variations, attitude sensor calibrations, or ephemeris errors. Also, constant environment torques for dual spin spacecraft have similar effects to gyro biases on three axis stabilized spacecraft, effectively shifting the one-revolution-per-orbit (1-RPO) body rotation axis. Highly correlated effects can create a risk for estimation errors particularly when a mission switches an operating mode or changes its normal flight environment. Some error effects will not be obvious from attitude sensor measurement residuals, so some independent checks using imaging sensors are essential and derived science instrument attitude measurements can prove quite valuable in assessing the attitude accuracy.

Steve Bilanow↗
NASA NTRS2006

Radio Frequency (RF) Attenuation Measurements of the Space Shuttle Vehicle

Following the loss of Columbia, the Columbia Accident Investigation Board (CAIB) provided recommendations to be addressed prior to Return To Flight (RTF). As a part of CAIB Recommendation 3.4.1 - Ground Based Imagery, new C-band and X-band radars were added to the array of ground-based radars and cameras already in-situ at Kennedy Space Center. Because of higher power density considerations and new operating frequencies, the team of Subject Matter Experts (SMEs) assembled to investigate the technical details of introducing the new radars recommended a series of radio frequency (RF) attenuation tests be performed on the Space Shuttle vehicle to establish the attenuation of the vehicle outer mold line structure with respect to its external RF environment. Because of time and complex logistical constraints, it was decided to split the test into two separate efforts. The first of these would be accomplished with the assistance of the Air Force Research Laboratory (AFRL), performing RF attenuation measurements on the aft section of OV-103 (Discovery) while in-situ in Orbiter Processing Facility (OPF) 3, located at Kennedy Space Center. The second would be accomplished with the assistance of the National Institute of Standards and Technology (NIST) and the electromagnetic interference (EMI) laboratory out of the Naval Air Warfare Center, Patuxent River, Maryland (PAX River), performing RF attenuation measurements on OV-105 (Endeavour) in-situ inside the Space Shuttle Landing Facility (SLF) hangar, also located at Kennedy Space Center. This paper provides a summary description of these efforts and their results.

Scully, R. C.↗
NASA NTRS2006

The X-37 Hot Structure Control Surface Testing

Thermal-structural testing of three hot structure control surface subcomponent test articles (STA) designed for the X-37 (Boeing Phantom Works, Huntington Beach, California) Orbital Vehicle (OV) has been completed. The test articles were subcomponents of the X-37 OV bodyflap and flaperon control surfaces.

Hudson, Larry D.↗
NASA NTRS2007

Strain Measurement Using FBG on COPV in Stress Rupture Test

White Sands Test Facility (WSTF) was requested to perform ambient temperature hydrostatic pressurization testing of a Space Transportation System (STS) 40-in. Kevlar Composite Overwrapped Pressure Vessel (COPV). The 40-in. vessel was of the same design and approximate age as the STS Main Propulsion System (MPS) and Orbiter Maneuvering System (OMS) vessels. The NASA Engineering Safety Center (NESC) assembled a team of experts and conducted an assessment that involved a review of national Kevlar COPY data. During the review, the STS COPVs were found to be beyond their original certification of ten years. The team observed that the likelihood of STS COPV Stress rupture, a catastrophic burst before leak failure mode, was greater than previously believed. Consequently, a detailed assessment of remaining stress rupture life became necessary. Prior to STS-114, a certification deviation was written for two flights of OV-103 (Discovery) and OV-104 (Atlantis) per rationale that was based on an extensive review of the Lawrence Livermore National Laboratories, COPV data, and revisions to the STS COPV stress levels. In order to obtain flight rationale to extend the certification deviation through the end of the Program, the Orbiter Project Office has directed an interagency COPV team to conduct further testing and analysis to investigate conservatism in the stress rupture model and evaluate material age degradation. Additional analysis of stress rupture life requires understanding the fiber stresses including stress that occurs due to thru-wall composite compression in COPV components. Data must be obtained at both zero gauge pressure (pre-stress) and at the component operating pressure so that this phenomenon can be properly evaluated. The zero gauge pressure stresses are predominantly a result of the autofrettage process used during vessel manufacture. Determining these pre-stresses and the constitutive behavior of the overwrap at pressure will provide necessary information to better predict the remaining life of the STS COPVs. The primary test objective is obtaining data to verify the hypothesis of a radially oriented thru-thickness stress-riser in the COPV composite whose magnitude is a function of the applied pressure and the load history. The anticipated load dependent response follows from the constitutive behavior of the composite overwrap so data to quantify its nonlinear and time dependent response will be sought. The objective of the Fiber Braggs Gratings (FBGs) were to advance the state-of-the-art by developing techniques using FBG sensors that are capable of assessing stress-rupture degradation in Kevlar COPVs in a health monitoring mode (1). Moreover, they sought to answer questions of how embedded sensors affect overall integrity of the structure. And lastly, they sought to provide an important link in the overall stress rupture study that will help close the loop on the COPV fabrication process. NDE inspection methods will be used from start to finish and FBG will be an integral link within the overall chain.

Banks, Curtis↗
DOE OSTI2022

Qualification study of SiPMs on a large scale for the CMVD Experiment

A Cosmic Muon Veto (CMV) detector using extruded plastic scintillators is being designed around the mini-Iron Calorimeter (mini-ICAL) detector at the transit campus of the India based Neutrino Observatory, Madurai for the feasibility study of shallow depth underground experiments. The scintillation signals that are produced in the plastic due to muon trajectories are absorbed by wavelength shifting (WLS) fibres. The WLS fibres re-emit photons of longer wavelengths and propagate those to silicon photo-multipliers (SiPMs). The SiPMs detect these photons, producing electronic signals. The CMV detector will use more than 700 scintillators to cover the mini-ICAL detector and will require around 3000 SiPMs. The design goal for the cosmic muon veto efficiency of the CMV is >99.99%. Hence, every SiPM used in the detector needs to be tested and characterised to satisfy the design goal of CMV. A mass testing system was developed for the measurement of gain and choice of the overvoltage ($V_{ov}$) of each SiPMs using an LED driver. The $V_{ov}$ is obtained by studying the noise rate, the gain of the SiPM. This paper describes the experimental setup used to test the SiPMs characteristics along with detailed studies of those characteristics as a function of temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Temperature-dependent changes in gas chromatographic separation metrics for trihexyl(tetradecyl)phosphonium-based ionic liquid stationary phases and comparison to conventional polysiloxane stationary phases

Here, to assess whether the trihexyl(tetradecyl)phosphonium chloride ([P 66614 + ][Cl - ]) ionic liquid (IL), employed as a gas chromatographic stationary phase, exhibits temperature-dependent phase transitions or structural heterogeneity, retention thermodynamics for probe molecules of varied chemical structure were investigated by gas chromatography (GC) over the temperature range of 25 to 64 °C using van’t Hoff analysis. All van’t Hoff plots for n-alkanes (C8–C12) and other probe analytes were linear, indicating the absence of detectable phase-transition behavior. The [P 66614 + ][Cl - ] IL was further compared with the [P 66614 + ] bis[(trifluoromethyl)sulfonyl]imide ([P 66614 + ][NTf 2 - ]) IL and commercial polysiloxane stationary phases in terms of temperature-dependent resolution behavior and chromatographic selectivity over the temperature range of 28–52 °C. The resolution factors of analytes in mixtures obtained using gas chromatography–mass spectrometry (GC–MS) and the summation of resolution values decreased smoothly with temperature on both IL stationary phases and on the dimethylphenylcyano-substituted polymeric stationary phase (OV-1701), whereas the poly(50% diphenyl/50% dimethyl siloxane) stationary phase (SPB-50) exhibited irregularities in its temperature-dependent summation of resolution profile, showing a distinct maximum in the temperature range of 34–40 °C. Selectivity values for the IL stationary phases were largely determined by the anion, with the [P 66614 + ][Cl - ] IL providing enhanced separation between polar and aromatic analytes, while the [P 66614 + ][NTf 2 - ] IL favored dispersive and π-π interactions that resulted in a reversal of elution order for some aliphatic–aromatic and alkyne-containing analyte pairs. Capillary columns prepared using different surface activation methods and coated with identical [P 66614 + ][Cl - ] IL stationary phase showed indistinguishable temperature-dependent trends in summation of resolution value and selectivity. An evaluation of analyte-specific selectivity provides insight into the characteristic separation behavior of the stationary phases and enables identification of analyte classes that are more efficiently separated on the [P 66614 + ]-based IL stationary phases compared to conventional stationary phase materials.

Chromatographic selectivity↗
DOE OSTI2012

Nonstoichiometry, point defects and magnetic properties in Sr{sub 2}FeMoO{sub 6-{delta}} double perovskites

The phase stability, nonstoichiometry and point defect chemistry of polycrystalline Sr{sub 2}FeMoO{sub 6-{delta}} (SFMO) was studied by thermogravimety at 1000, 1100, and 1200 Degree-Sign C. Single-phase SFMO exists between -10.2{<=}log pO{sub 2}{<=}-13.7 at 1200 Degree-Sign C. At lower oxygen partial pressure a mass loss signals reductive decomposition. At higher pO{sub 2} a mass gain indicates oxidative decomposition into SrMoO{sub 4} and SrFeO{sub 3-x}. The nonstoichiometry {delta} at 1000, 1100, and 1200 Degree-Sign C was determined as function of pO{sub 2}. SFMO is almost stoichiometric at the upper phase boundary (e.g. {delta}=0.006 at 1200 Degree-Sign C and log pO{sub 2}=-10.2) and becomes more defective with decreasing oxygen partial pressure (e.g. {delta}=0.085 at 1200 Degree-Sign C and log pO{sub 2}=-13.5). Oxygen vacancies are shown to represent majority defects. From the temperature dependence of the oxygen vacancy concentration the defect formation enthalpy was estimated ({Delta}H{sub OV}=253{+-}8 kJ/mol). Samples of different nonstoichiometry {delta} were prepared by quenching from 1200 Degree-Sign C at various pO{sub 2}. An increase of the unit cell volume with increasing defect concentration {delta} was found. The saturation magnetization is reduced with increasing nonstoichiometry {delta}. This demonstrates that in addition to Fe/Mo site disorder, oxygen nonstoichiometry is another source of reduced magnetization values. - Graphical abstract: Nonstoichiometry {delta} of Sr{sub 2}FeMoO{sub 6-{delta}} as function of oxygen partial pressure at 1000, 1100, and 1200 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Sr{sub 2}FeMoO{sub 6-{delta}} is stable at T=1200 Degree-Sign C at low pO{sub 2} only. Black-Right-Pointing-Pointer Nonstoichiometry {delta} measured at 1200, 1100, and 1000 Degree-Sign C. Black-Right-Pointing-Pointer Increase of oxygen vacancy concentration with lower pO{sub 2}. Black-Right-Pointing-Pointer Reduction of magnetization with increasing nonstoichiometry {delta}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Comprehensive studies of structural, electronic and magnetic properties of Zn{sub 0.95}Co{sub 0.05}O nanopowders

Highlights: • Zn{sub 0.95}Co{sub 0.05}O nanopowders are characterized by high structural order. • Co atoms show no tendency for Co–Co clustering and Co–Ov complexes formation. • Co–O–Co clustering along the c-axis has not lead to ferromagnetic order. • XMCD provides no evidence of magnetic polarization of O 2p and Co 3d states. - Abstract: X-ray absorption (XANES, EXAFS, XMCD) and photoelectron (XPS) spectroscopic techniques were employed to study local structural, electronic and magnetic properties of Zn{sub 0.95}Co{sub 0.05}O nanopowders. The substitutional Co{sup 2+} ions are incorporated in ZnO lattice at regular Zn sites and the sample is characterized by high structural order. There was no sign of ferromagnetic ordering of Co magnetic moments and the sample is in paramagnetic state at all temperatures down to 5 K. The possible connection of the structural defects with the absence of ferromagnetism is discussed on the basis of theoretical calculations of the O K-edge absorption spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An Ab initio based OH initiated oxidation kinetics of glycerol carbonate: A promising biofuel component

The global energy demand is steadily increasing because of the population explosion and economic growth. Fossil fuels supply around 85 % of global primary energy demand. On one hand, fulfilling the increasing energy demands is a big challenge for the next few decades. On the other hand, the continued burning of fossil fuels leads to higher CO2 emissions, severely impacting global warming. Therefore, the policymakers vow to shift from conventional fuels to renewable resources for economic, environmental, and future energy security reasons. In this context, biofuels from lignocellulosic biomass and/or carbon-neutral fuels produced in the sustainable carbon cycle can close the carbon cycle and reach net zero-carbon emission. Recently, glycerol carbonate has been proposed as a promising fuel or fuel additive for future sustainability. Therefore, we investigated the hydrogen abstraction reactions of glycerol carbonate (GC) by OH radicals using high-level ab initio and variational transition state theory calculations. We mapped out the potential energy surface using the CCSD(T)/cc-pV(D, T)Z//MP2/cc-pVTZ level of theory. Here we used the ab initio parameters to obtain the site-specific rate coefficients by employing the variational transition state theory. We observed that every hydrogen atom in GC displays a unique reactivity with OH radicals. We derived branching ratio of each channel that are difficult to access experimentally. The overall rate coefficients exhibit a strong non-Arrhenius behaviour, which can be represented as: $k^{CVT/SCT}_{ov}$ (T) = 3.39 x 10 -20 x T 2.659 x e$\frac{-750.0 Jmol^{-1}}{RT}$ $\frac{cm^{3}}{molecule s}$ This is the first reported rate data for the glycerol carbonate and OH radicals reaction.

09 BIOMASS FUELS↗
DOE OSTI2025

Stationary Oxygen Vacancy Construction toward a Superior-Performance Ultrahigh Nickel Single-Crystal Cathode

Oxygen vacancies exert a complex and profound influence on the layered cathodes, especially those with ultrahigh nickel content. They can facilitate lithium-ion transport and enhance electronic conductivity, while aggressive oxygen vacancy formation causes structural degradation and electrolyte decomposition. Herein, taking ultrahigh nickel single-crystal LiNi 0.92 Co 0.06 Mn 0.02 O 2 (SC-Ni92) as a model material, we propose a pinning strategy to harness the benefits of oxygen vacancies while mitigating their detrimental effects. Through a carefully controlled thermal process, both oxygen vacancies and pinning atoms are successfully introduced into the surface region. The resulting anchored oxygen vacancies, capitalizing on their inherent advantages, improve conductivity and lithium-ion diffusion. Simultaneously, the neighboring pinning atoms effectively increase the migration barrier and suppress the adverse effects of these vacancies, including electrolyte decomposition and structural degradation during long-term electrochemical cycling. Consequently, oxygen vacancy-anchored single-crystal LiNi 0.92 Co 0.06 Mn 0.02 O 2 (SC-Ni92-OV) demonstrates significantly improved high-voltage electrochemical performance, with 86.16% capacity retention after 200 cycles at 4.6 V and 1 C in a half-cell and 90.71% after 300 cycles at 4.5 V and 1 C in a full cell. Furthermore, this study not only provides valuable insights into the chemistry of oxygen vacancy but also introduces a viable strategy for leveraging oxygen vacancies to achieve stable high-voltage performance in ultrahigh nickel single-crystal cathodes.

defects in solids↗