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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Prediction of Mass Spectral Response Factors from Predicted Chemometric Data for Druglike Molecules

A method is developed for the prediction of mass spectral ion counts of drug-like molecules using in silico calculated chemometric data. Various chemometric data, including polar and molecular surface areas, aqueous solvation free energies, and gas-phase and aqueous proton affinities were computed, and a statistically significant relationship between measured mass spectral ion counts and the combination of aqueous proton affinity and total molecular surface area was identified. In particular, through multilinear regression of ion counts on predicted chemometric data, we find that log{sub 10}(MS ion counts) = –4.824 + c{sub 1}•PA + c{sub 2}•SA, where PA is the aqueous proton affinity of the molecule computed at the SMD(aq)/M06-L/MIDI!//M06-L/MIDI! level of electronic structure theory, SA is the total surface area of the molecule in its conjugate base form, and c{sub 1} and c{sub 2} have values of –3.912 × 10{sup –2} mol kcal{sup –1} and 3.682 × 10{sup –3} Å{sup –2}. On a 66-molecule training set, this regression exhibits a multiple R value of 0.791 with p values for the intercept, c{sub 1}, and c{sub 2} of 1.4 × 10{sup –3}, 4.3 × 10{sup –10}, and 2.5 × 10{sup –6}, respectively. Application of this regression to an 11-molecule test set provides a good correlation of prediction with experiment (R = 0.905) albeit with a systematic underestimation of about 0.2 log units. This method may prove useful for semiquantitative analysis of drug metabolites for which MS response factors or authentic standards are not readily available. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1986

The effect of Cr, Co, Al, Mo and Ta on a series of cast Ni-base superalloys on the stability of an aluminide coating during cyclic oxidation in Mach 0.3 burner rig

The influence of varying the content of Co, Cr, Mo, Ta, and Al in a series of cast Ni-based gamma/gamma'superalloys on the behavior of aluminide coatings was studied in burner rig cyclic oxidation tests at 1100 C. The alloys had nominally fixed levels of Ti, W, Cb, Zr, C, and B. The alloy compositions were based on a full 2(sup 5)-fractional statistical design supplemented by 10 star point alloys and a center point alloy. This full central composite design of 43 alloys plus two additional alloys with extreme Al levels allowed a complete second degree estimating equation to be derived from the 5-compositional variables. The weight change/time data for the coated samples fitted well to the paralinear oxidation model and enabled a modified oxidation attack parameter, K'(sub a) to be derived to rank the alloys and log K' (sub a ) to be used as the dependent variable in the estimating equation to determine the oxidation resistance of the coating as a function of the underlying alloy content. The most protective aluminide coatings are associated with the highest possible base ally contents of CR and Al and at a 4 percent Ta level. The Mo and Co effects interact but at fixed levels of 0, 5, or 10% Co. A 4% Mo level is optimum.

Zaplatynsky, I.↗
DOE OSTI2021

\( \mathcal{N} \) = 4 supersymmetric Yang-Mills thermodynamics to order λ 2

We calculate the resummed perturbative free energy of \( \mathcal{N} \) = 4 supersymmetric Yang-Mills in four spacetime dimensions (SYM 4 , 4 ) through second order in the ’t Hooft coupling λ at finite temperature and zero chemical potential. Our final result is ultraviolet finite and all infrared divergences generated at three-loop level are canceled by summing over SYM 4 , 4 ring diagrams. Non-analytic terms at \( \mathcal{O} \) ( λ 3 / 2 ) and \( \mathcal{O} \) ( λ 2 log λ ) are generated by dressing the A 0 and scalar propagators. The gauge-field Debye mass m D and the scalar thermal mass M D are determined from their corresponding finite-temperature self-energies. Based on this, we obtain the three-loop thermodynamic functions of SYM 4 , 4 to \( \mathcal{O} \) ( λ 2 ). We compare our final result with prior results obtained in the weak- and strong-coupling limits and construct a generalized Padé approximant that interpolates between the weak-coupling result and the large- N c strong-coupling result. Our results suggest that the \( \mathcal{O} \) ( λ 2 ) weak-coupling result for the scaled entropy density is a quantitatively reliable approximation to the scaled entropy density for 0 ≤ λ ≲ 2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

A CHANDRA OBSERVATION OF THE TW HYDRAE ASSOCIATION BROWN DWARF 2MASSW J1139511-315921

We report on a sequence of Chandra X-Ray Observatory observations of the TW Hydrae brown dwarf (BD) 2MASSW J1139511-315921 (2M1139). In the combined 31 ks ACIS-S exposure, 2M1139 is detected at the 3{sigma} confidence level. We find an X-ray luminosity of L{sub X} = 1.4{sup +2.7}{sub -1.0} x 10{sup 26} erg s{sup -1} or log L{sub X}/L{sub bol} = -4.8 {+-} 0.3. This object is similar to another TW Hydrae BD member, CD-33 7795B (TWA 5B): both have H{alpha} emission, both show no signatures of accretion, and both have comparable ages and spectral types. TWA 5B was previously detected in X-rays with a luminosity of L{sub X} = 4 x 10{sup 27} erg s{sup -1} or log L{sub X}/L{sub bol} = -3.4, an order of magnitude more luminous in X-rays than 2M1139. We find that the discrepancy between the X-ray luminosity of 2M1139 and TWA 5B is consistent with the spread in X-ray luminosity in the Orion Nebula Cluster for BDs of similar spectral types. Though rotation may play a role in the X-ray activity of ultracool dwarfs like 2M1139 and TWA 5B, the discrepancy cannot be explained by rotation alone. We also examine two X-ray bright objects in the field of view of our Chandra observations and find one to be of spectral type K0IV and identify it as a possible RS Canum Venaticorum, and another X-ray bright object whose light curve clearly shows the decay phase of an X-ray flare.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A tidal disruption event in a nearby galaxy hosting an intermediate mass black hole

We report the serendipitous discovery of a bright point source flare in the Abell cluster A1795 with archival EUVE and Chandra observations. Assuming the EUVE emission is associated with the Chandra source, the X-ray 0.5-7 keV flux declined by a factor of ∼2300 over a time span of 6 yr, following a power-law decay with index ∼2.44 ± 0.40. The Chandra data alone vary by a factor of ∼20. The spectrum is well fit by a blackbody with a constant temperature of kT ∼ 0.09 keV (∼10{sup 6} K). The flare is spatially coincident with the nuclear region of a faint, inactive galaxy with a photometric redshift consistent at the 1σ level with the cluster (z = 0.062476). We argue that these properties are indicative of a tidal disruption of a star by a black hole (BH) with log (M {sub BH}/M {sub ☉}) ∼ 5.5 ± 0.5. If so, such a discovery indicates that tidal disruption flares may be used to probe BHs in the intermediate mass range, which are very difficult to study by other means.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Using a Canopy Model Framework to Improve Large-Eddy Simulations of the Neutral Atmospheric Boundary Layer in the Weather Research and Forecasting Model

A canopy model framework is implemented in the Weather Research and Forecasting Model to improve the accuracy of large-eddy simulations (LES) of the atmospheric boundary layer (ABL). The model includes two options that depend on the scale of surface roughness elements. A resolved canopy model, typically used to model flow through vegetation canopies, is employed when roughness elements are resolved by the vertical LES grid. In the case of unresolved roughness, a modified “pseudocanopy model” is developed to distribute drag over a shallow layer above the surface. Both canopy model options are validated against idealized test cases in neutral stability conditions and are shown to improve surface layer velocity profiles relative to simulations employing Monin–Obukhov similarity theory (MOST), which is commonly used as a surface boundary condition in ABL models. Use of the canopy model framework also leads to increased levels of resolved turbulence kinetic energy and turbulent stresses. Because LES of the ABL has a well-known difficulty recovering the expected logarithmic velocity profile (log law) in the surface layer, particular focus is placed on using the pseudocanopy model to alleviate this issue over a range of model configurations. Tests with varying surface roughness values, LES closures, and grid aspect ratios confirm that the pseudocanopy model generally improves log-law agreement relative to simulations that employ a standard MOST boundary condition. The canopy model framework thus represents a low-cost, easy-to-implement method for improving LES of the ABL.

17 WIND ENERGY↗
NASA NTRS1981

Anomalous behavior of the atmospheric surface layer over a melting snowpack

During March, 1978 on a snow-covered field near Lee Vining, California, measurements were made that included: (1) variations above the snow surface of the net radiative flux and the profile of wind speed, air temperature and relative humidity; and (2) variations beneath the snow surface of the conductive heat flux and the temperature profile. The period was marked by clear skies, warm air and calm winds during the day, and cold air and moderate winds at night. During the day, a highly stable sublayer formed near the surface, with a persistent warm layer at approximately 0.5 m above the surface. At night, profiles agreed more with classical log-linear forms found in stable air. Numerical simulation of long and shortwave radiative fluxes near the surface, using observed humidity profiles, produced the daytime warm level in agreement with observations. It was concluded that in the absence of turbulent mixing, strong solar radiation and a supply of moisture from the snow will cause a raised maximum of temperature during the day.

Halberstam, I.↗
NASA NTRS1989

The X-ray log N-log S relation

Results from various surveys are reviewed as regards X-ray source counts at high galactic latitudes and the luminosity functions determined for extragalactic sources. Constraints on the associated log N-log S relation provided by the extragalactic X-ray background are emphasized in terms of its spatial fluctuations and spectrum as well as absolute flux level. The large number of sources required for this background suggests that there is not a sharp boundary in the redshift distribution of visible matter.

Boldt, Elihu↗
NASA NTRS1991

Collisional excitation of formaldehyde in 'hot' interstellar molecular regions

Earlier calculations for rotational excitation of formaldehyde by collisions with He atoms are extended to include the lowest 81 rotational levels and kinetic temperatures to 300 K. Calculations are generally based on Green et al. (1978) but coupled differential equations are solved via a modified log-derivative propagator at low energies (Manolopoulos, 1986) and an R-matrix propagator at higher energies (Stechel, Walker, and Light, 1978). Consideration is given to the expected accuracy of the rates for excitation of formaldehyde by collisions with He atoms which are calculated in the present paper and to the expected differences between these rates and those for excitation by H2 molecules which comprise a larger fraction of the interstellar gas. The comparisons performed indicate that, for excitation by He, calculated state-to-state rates are likely to be 50 percent accurate, and total excitation rates, better than 20 percent. For excitation by H2, the rates should be increased by a factor of 2.2.

Green, Sheldon↗
NASA NTRS2003

An On-line Technology Information System (OTIS) for Advanced Life Support

OTIS is an on-line communication platform designed for smooth flow of technology information between advanced life support (ALS) technology developers, researchers, system analysts, and managers. With pathways for efficient transfer of information, several improvements in the ALS Program will result. With OTIS, it will be possible to provide programmatic information for technology developers and researchers, technical information for analysts, and managerial decision support. OTIS is a platform that enables the effective research, development, and delivery of complex systems for life support. An electronic data collection form has been developed for the solid waste element, drafted by the Solid Waste Working Group. Forms for other elements (air revitalization, water recovery, food processing, biomass production and thermal control) will also be developed, based on lessons learned from the development of the solid waste form. All forms will be developed by consultation with other working groups, comprised of experts in the area of interest. Forms will be converted to an on-line data collection interface that technology developers will use to transfer information into OTIS. Funded technology developers will log in to OTIS annually to complete the element- specific forms for their technology. The type and amount of information requested expands as the technology readiness level (TRL) increases. The completed forms will feed into a regularly updated and maintained database that will store technology information and allow for database searching. To ensure confidentiality of proprietary information, security permissions will be customized for each user. Principal investigators of a project will be able to designate certain data as proprietary and only technical monitors of a task, ALS Management, and the principal investigator will have the ability to view this information. The typical OTIS user will be able to read all non-proprietary information about all projects.Interaction with the database will occur over encrypted connections, and data will be stored on the server in an encrypted form. Implementation of OTIS will initiate a community-accessible repository of technology development information. With OTIS, ALS element leads and managers will be able to carry out informed technology selection for programmatic decisions. OTIS will also allow analysts to make accurate evaluations of technology options. Additionally, the range and specificity of information solicited will help educate technology developers of program needs. With augmentation, OTIS reporting is capable of replacing the current fiscal year-end reporting process. Overall, the system will enable more informed R&TD decisions and more rapid attainment of ALS Program goals.

Levri, Julie A.↗
NASA NTRS2011

Analysis of Noise Exposure Measurements Acquired Onboard the International Space Station

The International Space Station (ISS) is a unique workplace environment for U.S. astronauts and Russian cosmonauts to conduct research and live for a period of six months or more. Noise has been an enduring environmental physical hazard that has been a challenge for the U.S. space program since before the Apollo era. Noise exposure in ISS poses significant risks to the crewmembers, such as; hearing loss (temporary or permanent), possible disruptions of crew sleep, interference with speech intelligibility and communication, possible interference with crew task performance, and possible reduction in alarm audibility. Acoustic measurements were made onboard ISS and compared to requirements in order to assess the acoustic environment to which the crewmembers are exposed. The purpose of this paper is to describe in detail the noise exposure monitoring program as well as an assessment of the acoustic dosimeter data collected to date. The hardware currently being used for monitoring the noise exposure onboard ISS will be discussed. Acoustic data onboard ISS has been collected since the beginning of ISS (Increment 1, November 2001). Noise exposure data analysis will include acoustic dosimetry logged data from crew-worn dosimeters during work and sleep periods and also fixed-location measurements from Increment 1 to present day. Noise exposure levels (8-, 16- and 24-hr), LEQ, will also be provided and discussed in this paper. Future directions and recommendations for the noise exposure monitoring program will be highlighted. This acoustic data is used to ensure a safe and healthy working and living environment for the crewmembers onboard the ISS.

Limardo, Jose G.↗
NASA NTRS2014

A Tidal Disruption Event in a Nearby Galaxy Hosting an Intermediate Mass Black Hole

We report the serendipitous discovery of a bright point source flare in the Abell cluster A1795 with archival EUVE and Chandra observations. Assuming the EUVE emission is associated with the Chandra source, the X-ray 0.5-7 kiloelectronvolt flux declined by a factor of approximately 2300 over a time span of 6 years, following a power-law decay with index approximately equal to 2.44 plus or minus 0.40. The Chandra data alone vary by a factor of approximately 20. The spectrum is well fit by a blackbody with a constant temperature of kiloteslas approximately equal to 0.09 kiloelectronvolts (approximately equal to 10 (sup 6) Kelvin). The flare is spatially coincident with the nuclear region of a faint, inactive galaxy with a photometric redshift consistent at the 1 sigma level with the cluster (redshift = 0.062476).We argue that these properties are indicative of a tidal disruption of a star by a black hole (BH) with log(M (sub BH) / M (sub 1 solar mass)) approximately equal to 5.5 plus or minus 0.5. If so, such a discovery indicates that tidal disruption flares may be used to probe BHs in the intermediate mass range, which are very difficult to study by other means.

bright point source flare↗
DOE OSTI2013

Development of a new lattice physics code robin for PWR application

This paper presents a description of methodologies and preliminary verification results of a new lattice physics code ROBIN, being developed for PWR application at Shanghai NuStar Nuclear Power Technology Co., Ltd. The methods used in ROBIN to fulfill various tasks of lattice physics analysis are an integration of historical methods and new methods that came into being very recently. Not only these methods like equivalence theory for resonance treatment and method of characteristics for neutron transport calculation are adopted, as they are applied in many of today's production-level LWR lattice codes, but also very useful new methods like the enhanced neutron current method for Dancoff correction in large and complicated geometry and the log linear rate constant power depletion method for Gd-bearing fuel are implemented in the code. A small sample of verification results are provided to illustrate the type of accuracy achievable using ROBIN. It is demonstrated that ROBIN is capable of satisfying most of the needs for PWR lattice analysis and has the potential to become a production quality code in the future. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Challenges Conducting a Radiological Site Assessment at a Remote Uranium Mine - 16259

A radiological site assessment was performed as part of an environmental site assessment at a former uranium mine located in the Northwest Territories of Canada. The only access to the site was by helicopter, so the field program was a limited to only a few days. Radiological surveys were conducted to assess conditions for safety of the field crew as well as to provide overland survey of uranium at the site. Limited radiological data existed for this site and the objective was to collect as much data as possible during the short field program. ScanPlot{sup SM} gamma spectroscopy land survey system was utilized for the overland survey utilizing a backpack system. ScanPlotSM platform utilized spectroscopy grade sodium iodide detectors configured for optimal spatial coverage and radiation detection. Survey locations were recorded using an on-board global positioning system (GPS). The radiological spectral data from the radiation detectors is automatically logged and linked with the GPS coordinates to an on-board computer to create iso-contour figures using a color scale to represent radioactivity levels (ground concentration by radionuclide). The advantage of utilizing the ScanPlotSM system for this assessment is that the nature and extent of uranium is provided without having to collect and assay a large number of samples during a short period of time. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Operation and Maintenance Manual for the Remote-Handled Low-Level Waste Facility Potable Water System (PWS #6120030)

The document is an Operations and Maintenance Manual for the Remote Handled Low Level Waste Disposal Facility (RHLLW) potable water system. This document is required by the State of Idaho Department of Environmental Quality. The document defines the system, components, interfaces with ATR, operations of the system, contains operating procedures and log sheets, component manufacturer sheets showing compliance with regulations and also contains signed Preventive Maintenance Justification forms for applicable components of the potable water system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2003

High-Velocity Absorption Features in FUSE Spectra of Eta Carinae

Numerous broad (200 to 1000 km/sec) features in the FUSE spectrum (905-1187 A) of eta Carinae are identified as absorption by a forest of high-velocity narrow lines formed in the expanding circumstellar envelope. These features were previously thought to be P-Cygni lines arising in the wind of the central star. The features span a heliocentric velocity range of -140 to -580 km/sec and are seen prominently in low-ionization ground-state transitions (e.g. N I 1134-35, Fe II 1145-42, 1133, 1127- 22, P II 1153, C I 1158) in addition to C III] 1176 A. The high-velocity components of the FUSE transitions have depths about 50% below the continuum. The identifications are consistent with the complex velocity structures seen in ground- and excited-state transitions of Mg I, Mg 11, Fe II, V II, etc observed in STIS/E230H spectra. The origin of other broad features of similar width and depth in the FUSE spectrum, but without low-velocity ISM absorption, are unidentified. However, they are suspected of being absorption of singly-ionized iron-peak elements (e.g. Fe II, V II, Cr II) out of excited levels 1,000 to 20,000 cmE-l above the ground state. The high-velocity features seen in Fe II 1145 are also present in Fe II 1608 (STIS/E140M), but are highly saturated in the latter. Since these transitions have nearly identical log (flambda) (1.998 vs. 2.080), the differences in the profiles are attributable to the different aperture sizes used (30 x 30 arcsec for FUSE, 0.2 x 0.2 arcsec for STIS/E140M). The high-velocity gas appears to be very patchy or has a small covering factor near the central star. Eta Carinae has been observed several times by FUSE over the past three years. The FUSE flux levels and spectral features in eta Car are essentially unchanged over the 2000 March to June 2002 period, establishing a baseline far-UV spectrum in advance of the predicted spectroscopic minimum in 2003.

Sonneborn, G.↗
DOE OSTI2019

EGS Collab Experiment 1: Core Logs

Core logs from the EGS Collab project Experiment 1 for the stimulation (Injection) well (E1-I), the Production well (E1-P), and monitoring wells (E1-OT, E1-OB, E1-PST, E1-PSB, E1-PDT, and E1-PDB) on the 4850 Level of SURF (the Sanford Underground Research Facility), single PDF file, 5-ft run intervals. In the monitoring well IDs, "O" indicates that the well is orthogonal to the anticipated fracture plane, "P" indicates that the well is parallel to the anticipated fracture plane, "S" indicates a shallow well, "D" indicates a deep well, "T" refers to top, and "B" refers to bottom. Logs include: experiment number; borehole ID; depth interval; run number; final packed core box number; scribe line (yes/no; red-on-right convention); logging dates; logger initials; as well as sketches of core foliation, folding, and fracturing with additional details and notes on other features of interest.

15 GEOTHERMAL ENERGY↗
NASA NTRS1985

Hardware test program for evaluation of baseline range/range rate sensor concept

The test program Phase II effort provides additional design information in terms of range and range rate (R/R) sensor performance when observing and tracking a typical spacecraft target. The target used in the test program was a one-third scale model of the Hubble Space Telescope (HST) available at the MSFC test site where the tests were performed. A modified Bendix millimeter wave radar served as the R/R sensor test bed for evaluation of range and range rate tracking performance, and generation of radar signature characteristics of the spacecraft target. A summary of program test results and conclusions are presented along with detailed description of the Bendix test bed radar with accompaning instrumentation. The MSFC test site and facilities are described. The test procedures used to establish background levels, and the calibration procedures used in the range accuracy tests and RCS (radar cross section) signature measurements, are presented and a condensed version of the daily log kept during the 5 September through 17 September test period is also presented. The test program results are given starting with the RCS signature measurements, then continuing with range measurement accuracy test results and finally the range and range rate tracking accuracy test results.

Pernic, E.↗