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Nickel-supported nitrenoids exhibit iminyl character, as determined by multi-edge XAS and TDDFT analysis, demonstrate efficacy for C–H activation and nitrene transfer chemistry.
Among C 60 ’s diverse functionalities, its potential application in CO 2 sequestration has gained increasing interest. However, the processes involved are sensitive to the molecule’s electronic structure, aspects of which remain debated and require greater precision. To address this, we performed structural optimization of fullerene C 60 using the QM MP2/6–31G* method. The nonplanarity of the optimized icosahedron is characterized by two types of dihedral angles: 138° and 143°. The 120 dihedrals of 138° occur between two hexagons intersecting at C–C bonds of 1.42 Å, while the 60 dihedrals of 143° are observed between hexagons and pentagons at C–C bonds of 1.47 Å. NBO analysis reveals less pyramidal sp 1.78 hybridization for carbons at the 1.42 Å bonds and more pyramidal sp 2.13 hybridization for the 1.47 Å bonds. Electrostatic potential charges range from -0.04 a.u. to 0.04 a.u. on the carbon atoms. Second-order perturbation analysis indicates that delocalization interactions in the C–C bonds of 1.42 Å (143.70 kcal/mol) and 1.47 Å (34.98 kcal/mol) are 22% and 38% higher, respectively, than those in benzene. MP2/Def2SVP calculations yield a correlation energy of 13.49 kcal/mol per electron for C 60 , slightly higher than the 11.68 kcal/mol for benzene. However, the results from HOMO-LUMO calculations should be interpreted with caution. This study may assist in the rational design of fullerene C 60 derivatives for CO 2 reduction systems.
In this study, a multi-technique approach was utilised to determine the high temperature performance of magnesium potassium phosphate cement (MKPC) blended with fly ash (FA) or ground granulated blast furnace slag (GBFS) with respect to nuclear waste immobilisation applications. Conceptual fire conditions were employed (up to 1200 °C, 30 min) to simulate scenarios that could occur during interim storage, transportation or within a final geological disposal facility. After exposure up to 400 °C, the main crystalline phase, struvite-K (MgKPO{sub 4}·6H{sub 2}O), was dehydrated to poorly crystalline MgKPO{sub 4} (with corresponding volumetric and mass changes), with MgKPO{sub 4} recrystallisation achieved by 800 °C. XRD and SEM/EDX analysis revealed reaction occurred between the MgKPO{sub 4} and FA/GBFS components after exposure to 1000–1200 °C, with the formation of potassium aluminosilicate phases, leucite and kalsilite (KAlSi{sub 2}O{sub 6} and KAlSiO{sub 4}), commensurate with a reduced relative intensity (or complete elimination) of the dehydrated struvite-K phase, MgKPO{sub 4.} This was further supported by solid-state NMR ({sup 27}Al and {sup 29}Si MAS), where only residual features associated with the raw FA/GBFS components were observable at 1200 °C. The high temperature phase transformation of blended MKPC binders resulted in the development of a glass/ceramic matrix with all existing porosity infilled via sintering and the formation of a vitreous phase, whilst the physical integrity was retained (no cracking or spalling). This study demonstrates that, based on small-scaled specimens, blended MKPC binders should perform satisfactorily under fire performance parameters relevant to the operation of a geological disposal facility, up to at least 1200 °C.
Multipoint measurement missions can provide a significant advancement in science return and this science interest coupled with as many recent technological advances are driving a growing trend in exploring distributed architectures for future NASA missions. Distributed Spacecraft Missions (DSMs) leverage multiple spacecraft to achieve one or more common goals. In particular, a constellation is the most general form of DSM with two or more spacecraft placed into specific orbit(s) for the purpose of serving a common objective (e.g., CYGNSS). Because a DSM architectural trade-space includes both monolithic and distributed design variables, DSM optimization is a large and complex problem with multiple conflicting objectives. Over the last two years, our team has been developing a Trade-space Analysis Tool for Constellations (TAT-C), implemented in common programming languages for pre-Phase A constellation mission analysis. By evaluating alternative mission architectures, TAT-C seeks to minimize cost and maximize performance for pre-defined science goals. This presentation will describe the overall architecture of TAT-C including: a User Interface (UI) at several levels of details and user expertise; Trade-space Search Requests that are created from the Science requirements gathered by the UI and validated by a Knowledge Base; a Knowledge Base to compare the current requests to prior mission concepts to potentially prune the trade-space; a Trade-space Search Iterator which, with inputs from the Knowledge Base, and, in collaboration with the Orbit & Coverage, Reduction & Metrics, and Cost& Risk modules, generates multiple potential architectures and their associated characteristics. TAT-C leverages the use of the Goddard Mission Analysis Tool (GMAT) to compute coverage and ancillary data, modeling orbits to balance accuracy and performance. The current version includes uniform and non-uniform Walker constellations as well as Ad-Hoc and precessing constellations, and its cost model represents an aggregate model consisting of Cost Estimating Relationships (CERs) from widely accepted models. The current GUI automatically generates graphics representing metrics such as average revisit time or coverage as a function of cost. The end-to-end system will be demonstrated as part of the presentation.
Solar cycle prediction based upon random number technique, Fourier curve fits and power spectra analysis
This report aims to satisfy Air Traffic Management Technology Demonstration - 1 (ATD-1) Statement of Work (SOW) 3.6.19 and serves as the delivery mechanism for the analysis described in Annex C of the Flight Test Plan. The report describes the data collected and derived as well as the analysis methodology and associated results extracted from the data set collected during the ATD-1 Flight Test. All analyses described in the SOW were performed and are covered in this report except for the analysis of Final Approach Speed and its effect on performance. This analysis was de-prioritized and, at the time of this report, is not considered feasible in the schedule and costs remaining.
This course was prepared by the author in support of the NASA GN&C Technical Discipline Team (TDT). The purpose of this two-day course is to inform practicing GN&C engineers, and other system and subsystem engineers, including payload engineers and mission analysts, of methodologies to analyze the pointing performance of spacecraft and to write unambiguous pointing requirements that are relevant to optical payload performance. It is hoped that the seminar will contribute to a best-practices manual and contribute to accepted and uniform means of requirements definition, validation, and verification. The course material is designed to address the needs of not only practicing GN&C engineers, but also system and subsystem engineers of other disciplines, payload engineers, mission analysts, and even astronomers who need to understand how they interface to a GN&C subsystem. Much revision is the direct result of active student participation during the presentations and from feedback obtained through course evaluation forms.
Theoretical analysis of a magnetic storm in February 1974 leads to the following conclusions: (1) Wind-induced diffusion leads to depletion of O and He and enhancements of Ar at high latitudes. (2) The same process increases O and He and decreases Ar at low latitudes. (3) There is substantial agreement between theory and neutral composition data from the AE-C closed source neutral mass spectrometer; the low-latitude enhancements of O and He, in magnitude comparable to or even larger than those of N2 and Ar, are observed, which is characteristic for the circulation mechanism. (4) To achieve agreement with the composition measurements, a heat input rate of 1.7 ergs/sq cm s is required above 120 km. (5) Changes in the neutral composition associated with the annual variations have significant effects on the magnetic storm dynamics.
A flight test was performed with the NASA Lewis Research Center's DH-6 icing research aircraft. The purpose was to employ a flight test procedure and data analysis method, to determine the accuracy with which the effects of ice on aircraft stability and control could be measured. For simplicity, flight testing was restricted to the short period longitudinal mode. Two flights were flown in a clean (baseline) configuration, and two flights were flown with simulated horizontal tail ice. Forty-five repeat doublet maneuvers were performed in each of four test configurations, at a given trim speed, to determine the ensemble variation of the estimated stability and control derivatives. Additional maneuvers were also performed in each configuration, to determine the variation in the longitudinal derivative estimates over a wide range of trim speeds. Stability and control derivatives were estimated by a Modified Stepwise Regression (MSR) technique. A measure of the confidence in the derivative estimates was obtained by comparing the standard error for the ensemble of repeat maneuvers, to the average of the estimated standard errors predicted by the MSR program. A multiplicative relationship was determined between the ensemble standard error, and the averaged program standard errors. In addition, a 95 percent confidence interval analysis was performed for the elevator effectiveness estimates, C sub m sub delta e. This analysis identified the speed range where changes in C sub m sub delta e could be attributed to icing effects. The magnitude of icing effects on the derivative estimates were strongly dependent on flight speed and aircraft wing flap configuration. With wing flaps up, the estimated derivatives were degraded most at lower speeds corresponding to that configuration. With wing flaps extended to 10 degrees, the estimated derivatives were degraded most at the higher corresponding speeds. The effects of icing on the changes in longitudinal stability and control derivatives were adequately determined by the flight test procedure and the MSR analysis method discussed herein.
To model the temperature evolution of optically thin astrophysical environments at MHD scales, radiative and collisional cooling rates are typically either pretabulated or fit into a functional form and then input into MHD codes as a radiative loss function. Thermal balance requires estimates of the analogous heating rates, which are harder to calculate, and due to uncertainties in the underlying dissipative heating processes these rates are often simply parameterized. The resulting net cooling function defines an equilibrium curve that varies with density and temperature. Such cooling functions can make the gas prone to thermal instability (TI), which will cause departures from equilibrium. There has been no systematic study of thermally unstable parameter space for nonequilibrium states. Motivated by our recent finding that there is a related linear instability, catastrophic cooling instability, that can dominate over TI, here we carry out such a study. We show that Balbus instability criteria for TI can be used to define a critical cooling rate, Λ c , that permits a nonequilibrium analysis of cooling functions through the mapping of TI zones. We furthermore illustrate how thermal conduction modifies the shape of TI zones. Upon applying a Λ c -based stability analysis to coronal loop simulations, we find that loops undergoing periodic episodes of coronal rain formation are linearly unstable to catastrophic cooling instability, while TI is stabilized by thermal conduction.
Statistical analysis of photographic meteor data - Opiks luminous efficiency and supplemented Whipple weighting
Statistical analysis of photographic meteor data - Vernianis luminous efficiency and supplemented Whipple weighting
The solder fatigue specimen designed by NASA-GSFC/UNISYS is analyzed in order to obtain the inelastic strain history during two different representative temperature cycles specified by UNISYS. In previous reports (dated July 25, 1990, and November 15, 1990), results were presented of the elastic-plastic and creep analysis for delta T = 31 C cycle, respectively. Subsequent results obtained during the current phase, from viscoplastic finite element analysis of the solder fatigue specimen for delta T = 113 C cycle are summarized. Some common information is repeated for self-completeness. Large-deformation continuum formulations in conjunction with a standard linear solid model is utilized for modeling the solder constitutive creep-plasticity behavior. Relevant material properties are obtained from the literature. Strain amplitudes, mean strains, and residual strains (as well as stresses) accumulated due to a representative complete temperature cycle are obtained as a result of this analysis. The partitioning between elastic strains, time-independent inelastic (plastic) strains, and time-dependent inelastic (creep) strains is also explicitly obtained for two representative cycles. Detailed plots are presented for two representative temperature cycles. This information forms an important input for fatigue damage models, when predicting the fatigue life of solder joints under thermal cycling
A flight test was performed with the NASA Lewis Research Center's DH-6 icing research aircraft. The purpose was to employ a flight test procedure and data analysis method, to determine the accuracy with which the effects of ice on aircraft stability and control could be measured. For simplicity, flight testing was restricted to the short period longitudinal mode. Two flights were flown in a clean (baseline) configuration, and two flights were flown with simulated horizontal tail ice. Forty-five repeat doublet maneuvers were performed in each of four test configurations, at a given trim speed, to determine the ensemble variation of the estimated stability and control derivatives. Additional maneuvers were also performed in each configuration, to determine the variation in the longitudinal derivative estimates over a wide range of trim speeds. Stability and control derivatives were estimated by a Modified Stepwise Regression (MSR) technique. A measure of the confidence in the derivative estimates was obtained by comparing the standard error for the ensemble of repeat maneuvers, to the average of the estimated standard errors predicted by the MSR program. A multiplicative relationship was determined between the ensemble standard error, and the averaged program standard errors. In addition, a 95 percent confidence interval analysis was performed for the elevator effectiveness estimates, C sub m sub delta e. This analysis identified the speed range where changes in C sub m sub delta e could be attributed to icing effects. The magnitude of icing effects on the derivative estimates were strongly dependent on flight speed and aircraft wing flap configuration. With wing flaps up, the estimated derivatives were degraded most at lower speeds corresponding to that configuration. With wing flaps extended to 10 degrees, the estimated derivatives were degraded most at the higher corresponding speeds. The effects of icing on the changes in longitudinal stability and control derivat
Antimony surface segregation during Si(100) molecular beam epitaxy (MBE) was investigated at temperatures T(sub s) = 515 - 800 C using concentration transient analysis (CTA). The dopant surface coverage Theta, bulk fraction gamma, and incorporation probability sigma during MBE were determined from secondary-ion mass spectrometry depth profiles of modulation-doped films. Programmed T(sub s) changes during growth were used to trap the surface-segregated dopant overlayer, producing concentration spikes whose integrated area corresponds to Theta. Thermal antimony doping by coevaporation was found to result in segregation strongly dependent on T(sub s) with Theta(sub Sb) values up to 0.9 monolayers (ML): in films doped with Sb(+) ions accelerated by 100 V, Theta(sub Sb) was less than or equal to 4 x 10(exp -3) ML. Surface segregation of coevaporated antimony was kinematically limited for the film growth conditions in these experiments.
We argue that the Julia programming language is a compelling alternative to currently more common implementations in Python and C++ for common data analysis workflows in high energy physics. We compare the speed of implementations of different workflows in Julia with those in Python and C++. Furthermore, our studies show that the Julia implementations are competitive for tasks that are dominated by computational load rather than data access. For work that is dominated by data access, we demonstrate an application with concurrent file reading and parallel data processing.
Abstract The Orange Carotenoid Protein (OCP) is a water-soluble protein that governs photoprotection in many cyanobacteria. The 35 kDa OCP is structurally and functionally modular, consisting of an N-terminal effector domain (NTD) and a C-terminal regulatory domain (CTD); a carotenoid spans the two domains. The CTD is a member of the ubiquitous Nuclear Transport Factor-2 (NTF2) superfamily (pfam02136). With the increasing availability of cyanobacterial genomes, bioinformatic analysis has revealed the existence of a new family of proteins, homologs to the CTD, the C-terminal domain-like carotenoid proteins (CCPs). Here we purify holo-CCP2 directly from cyanobacteria and establish that it natively binds canthaxanthin (CAN). We use small-angle X-ray scattering (SAXS) to characterize the structure of this carotenoprotein in two distinct oligomeric states. A single carotenoid molecule spans the two CCPs in the dimer. Our analysis with X-ray footprinting-mass spectrometry (XFMS) identifies critical residues for carotenoid binding that likely contribute to the extreme red shift (ca. 80 nm) of the absorption maximum of the carotenoid bound by the CCP2 dimer and a further 10 nm shift in the tetramer form. These data provide the first structural description of carotenoid binding by a protein consisting of only an NTF2 domain.
It has long been common practice to analyze linear dynamic systems by decomposing the total response in terms of individual contributions which are easier to analyze. Examples of this philosophy include the expansion of transfer functions using: (1) the superposition principle, (2) residue theory and partial fraction expansions, (3) Markov parameters, Hankel matrices, and (4) regular and singular perturbations. This paper summarizes a new and different kind of expansion designed to decompose the norm of the response vector rather than the response vector itself. This is referred to as "cost-decomposition' of the system. The notable advantages of this type of decomposition are: (a) easy application to multi-input, multi-output systems, (b) natural compatibility with Linear Quadratic Gaussian Theory, (c) applicability to the analysis of more general types of structural perturbations involving inputs, outputs, states, parameters. Property (c) makes the method suitable for problems in model reduction, measurement/actuator selections, and sensitivity analysis.