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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Identification of Rate, Extent, and Mechanisms of Hot Metal Resulfurization with CaO-SiO{sub 2}-Na{sub 2}O Slag Systems

The resulfurization of hot metal has not been comprehensively studied in literature. This study presents an experimental and mathematical modeling study of resulfurization in thermodynamic and kinetic point of view. The rate, extent, and mechanisms of resulfurization were evaluated by analyzing concurrently the physical properties and sulfur-extracting ability of the slag. Experiments were conducted in a chamber furnace in an argon atmosphere, and the hot metal was sampled with pre-defined basis. The experiments were continued until the metal–slag system reached an apparent thermodynamic equilibrium. To obtain a quantitative measure on the effect of system properties on the rate and extent of resulfurization, the results of this study were combined with previous studies handling the sulfide capacities of Na{sub 2}O-SiO{sub 2} and CaO-SiO{sub 2}-Na{sub 2}O slag systems. The sulfide capacities of the slag and corresponding metal–slag sulfur partition ratios were mathematically modeled with data-driven techniques such as multiple linear and non-linear regression and artificial neural networks. Finally, with the help of these, to study the kinetics of resulfurization, a simple mechanistic reaction model was derived. The results suggest that resulfurization of hot metal follows 1st-order kinetics and that the rate and extent can be regulated through the control of the associated thermodynamic driving force and by modifying the physical properties of the slag. The rate-limiting factor was found to be determined by the morphology of the slag phase.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Delving into the depths of NGC 3783 with XRISM II. Cross-calibration of X-ray instruments used in the large, multi-mission observational campaign

Context. Accurate X-ray spectroscopic measurements are fundamental for deriving basic physical parameters of the most abundant baryon components in the Universe. The plethora of X-ray observatories currently operational enables a panchromatic view of the high-energy emission of celestial sources. However, uncertainties in the energy-dependent calibration of the instrument transfer functions (e.g. the effective area, energy redistribution, or gain) can limit - and historically, did limit - the accuracy of X-ray spectroscopic measurements. Aims. We revised the status of the cross-calibration among the scientific payload on board four operation missions: Chandra, NuSTAR, XMM-Newton, and the recently launched XRISM. XRISM carries the micro-calorimeter Resolve, which yields the best energy resolution at energies ≥2 keV. For this purpose, we used the data from a 10-day-long observational campaign targeting the nearby active galactic nucleus NGC 3783, carried out in July 2024. Methods. We present a novel model-independent method for assessing the cross-calibration status that is based on a multi-node spline of the spectra with the highest-resolving power (XRISM/Resolve in our campaign). We also estimated the impact of the intrinsic variability of NGC 3783 on the cross-calibration status due to the different time coverages of participating observatories and performed an empirical reassessment of the Resolve throughput at low energies. Results. Based on this analysis, we derived a set of energy-dependent correction factors of the observed responses, enabling a statistically robust analysis of the whole spectral dataset. They will be employed in subsequent papers describing the astrophysical results of the campaign. Aims. We revised the status of the cross-calibration among the scientific payload on board four operation missions: Chandra, NuSTAR, XMM-Newton, and the recently launched XRISM. XRISM carries the micro-calorimeter Resolve, which yields the best energy resolution at energies ≥2 keV. For this purpose, we used the data from a 10-day-long observational campaign targeting the nearby active galactic nucleus NGC 3783, carried out in July 2024. Methods. We present a novel model-independent method for assessing the cross-calibration status that is based on a multi-node spline of the spectra with the highest-resolving power (XRISM/Resolve in our campaign). We also estimated the impact of the intrinsic variability of NGC 3783 on the cross-calibration status due to the different time coverages of participating observatories and performed an empirical reassessment of the Resolve throughput at low energies. Results. Based on this analysis, we derived a set of energy-dependent correction factors of the observed responses, enabling a statistically robust analysis of the whole spectral dataset. They will be employed in subsequent papers describing the astrophysical results of the campaign.

Active Galactic Nuclei, individual: NGC 3783↗
NASA NTRS1997

An Automated Method for Identifying Inconsistencies within Diagrammatic Software Requirements Specifications

The development of large-scale, composite software in a geographically distributed environment is an evolutionary process. Often, in such evolving systems, striving for consistency is complicated by many factors, because development participants have various locations, skills, responsibilities, roles, opinions, languages, terminology and different degrees of abstraction they employ. This naturally leads to many partial specifications or viewpoints. These multiple views on the system being developed usually overlap. From another aspect, these multiple views give rise to the potential for inconsistency. Existing CASE tools do not efficiently manage inconsistencies in distributed development environment for a large-scale project. Based on the ViewPoints framework the WHERE (Web-Based Hypertext Environment for requirements Evolution) toolkit aims to tackle inconsistency management issues within geographically distributed software development projects. Consequently, WHERE project helps make more robust software and support software assurance process. The long term goal of WHERE tools aims to the inconsistency analysis and management in requirements specifications. A framework based on Graph Grammar theory and TCMJAVA toolkit is proposed to detect inconsistencies among viewpoints. This systematic approach uses three basic operations (UNION, DIFFERENCE, INTERSECTION) to study the static behaviors of graphic and tabular notations. From these operations, subgraphs Query, Selection, Merge, Replacement operations can be derived. This approach uses graph PRODUCTIONS (rewriting rules) to study the dynamic transformations of graphs. We discuss the feasibility of implementation these operations. Also, We present the process of porting original TCM (Toolkit for Conceptual Modeling) project from C++ to Java programming language in this thesis. A scenario based on NASA International Space Station Specification is discussed to show the applicability of our approach. Finally, conclusion and future work about inconsistency management issues in WHERE project will be summarized.

Zhang, Zhong↗
NASA NTRS2017

Human Factors Virtual Analysis Techniques for NASA's Space Launch System Ground Support using MSFC's Virtual Environments Lab (VEL)

Using virtual environments to assess complex large scale human tasks provides timely and cost effective results to evaluate designs and to reduce operational risks during assembly and integration of the Space Launch System (SLS). NASA's Marshall Space Flight Center (MSFC) uses a suite of tools to conduct integrated virtual analysis during the design phase of the SLS Program. Siemens Jack is a simulation tool that allows engineers to analyze human interaction with CAD designs by placing a digital human model into the environment to test different scenarios and assess the design's compliance to human factors requirements. Engineers at MSFC are using Jack in conjunction with motion capture and virtual reality systems in MSFC's Virtual Environments Lab (VEL). The VEL provides additional capability beyond standalone Jack to record and analyze a person performing a planned task to assemble the SLS at Kennedy Space Center (KSC). The VEL integrates Vicon Blade motion capture system, Siemens Jack, Oculus Rift, and other virtual tools to perform human factors assessments. By using motion capture and virtual reality, a more accurate breakdown and understanding of how an operator will perform a task can be gained. By virtual analysis, engineers are able to determine if a specific task is capable of being safely performed by both a 5% (approx. 5ft) female and a 95% (approx. 6'1) male. In addition, the analysis will help identify any tools or other accommodations that may to help complete the task. These assessments are critical for the safety of ground support engineers and keeping launch operations on schedule. Motion capture allows engineers to save and examine human movements on a frame by frame basis, while virtual reality gives the actor (person performing a task in the VEL) an immersive view of the task environment. This presentation will discuss the need of human factors for SLS and the benefits of analyzing tasks in NASA MSFC's VEL.

Searcy, Brittani↗
DOE OSTI2018

Equilibration and analysis of first-principles molecular dynamics simulations of water

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. In this study, we assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. Lastly, a comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Plasmasphere dynamics in the duskside bulge region: A new look at old topic

Data acquired during several multiday periods in 1982 at ground stations Siple, Halley, and Kerguelen and on satellites Dynamics Explorer 1, International Sun Earth Explorer 1, and GEOS 2 have been used to investigate thermal plasma structure and dynamics in the duskside plasmasphere bulge region of the Earth. The distribution of thermal plasma in the dusk bulge sector is difficult to describe realistically, in part because of the time integral manner in which the thermal plasma distribution depends upon on the effects of bulk cross-B flow and interchange plasma flows along B. While relatively simple MHD models can be useful for qualitatively predicting certain effects of enhanced convection on a quiet plasmasphere, such as an initial sunward entrainment of the outer regions, they are of limited value in predicting the duskside thermal plasma structures that are observed. Furthermore, use of such models can be misleading if one fails to realize that they do not address the question of the formation of the steep plasmapause profile or provide for a possible role of instabilities or other irreversible processes in plasmapause formation. Our specific findings, which are based both upon the present case studies and upon earlier work, include the following: (1) during active periods the plasmasphere appears to become divided into two entities, a main plasmasphere and a duskside bulge region. (2) in the aftermath of an increase in convection activity, the main plasmasphere tends (from a statistical point of view) to become roughly circular in equatorial cross section, with only a slight bulge at dusk; (3) the abrupt westward edge of the duskside bulge observed from whistlers represents a state in the evolution of sunward extending streamers; (4) in the aftermath of a weak magnetic storm, 10 to 30% of the plasma 'removed' from the outer plasmasphere appears to remain in the afternoon-dusk sector beyond the main plasmasphere. (5) outlying dense plasma structures may circulate in the outer duskside magetosphere for many days following an increase in convection, unless there is extremely deep quieting; (6) a day-night plasmatrough boundary may be identified in equatorial satellite data; (7) factor-of-2-to-10 density irregularities appear near the plasmatrough from the ionosphere at L = 4.6, predominantly bidirectional field aligned and equatorially trapped light ion pitch angle distributions give away to a predominantly isotropic distribution (as seen by DE 1) when the plasma density reaches a level a factor of about 3 below the satured plasmasphere level; (9) some outlying dense plasma structures are effectively detached from the main plasmasphere, while others appear to be connected to that body.

Carpenter, D. L.↗
DOE OSTI2015

HPGe detector shielding optimization with MCNPX for the MEDINA PGNAA cell

Radioactive waste repositories must guarantee the non-toxicity of the waste in the long term, not only regarding radioactivity but also regarding other environmental contamination such as toxic chemicals. Analytical methods already exist for chemical characterization (ICP-MS, ICP-AES...) but they are based on test sampling. A possible alternative, for waste packages with an appropriate gamma radiation level, is to use Prompt Gamma Neutron Activation Analysis (PGNAA), a non-destructive measurement technique sensitive to several toxic chemicals. In view of the characterization of radioactive wastes in Germany and France, collaboration between the CEA Cadarache (France) and the Forschungszentrum Juelich (Germany) was initiated a few years ago. FZJ holds a PGNAA graphite cell called MEDINA (Multi Element Detection based on Instrumental Neutron Activation), allowing the characterization of 225 L drums. Fast neutrons are emitted from a D-T pulsed 14 MeV neutron generator and thermalized in graphite to induced radiative captures in the waste materials. Prompt capture gamma rays are detected using a 104% relative efficiency n-type HPGe. However, HPGe crystal is sensitive to fast neutron damage and to thermal neutron activation. A thermal neutron shield made of lithium fluorine and lithium carbonate is already used around the detector. In order to further decrease the current of fast and thermal neutrons coming into the crystal without penalizing MEDINA sensitivity (by decreasing the thermal neutron flux and neutron die away time of the cell, the gamma detection efficiency, or increasing the gamma background), some configurations based on easy-to-implement modifications of MEDINA have been simulated with MCNPX with a model of the cell already validated by experiments. Results show that fast and thermal neutron incoming current in the HPGe could easily be reduced by about a factor of 2 by additional quantities of graphite and by replacing lithium carbonate by lithium fluorine with a higher {sup 6}Li concentration. In addition, these modifications slightly increase the thermal neutron flux in the cell without deteriorating the neutron die away time, and reduce the gamma background about a factor of 2 during the neutron pulse but 5 times less after it. More important changes have also been tested, such as the addition of polyethylene and lead between the neutron generator and the HPGe detector, which is more effective regarding neutron shielding but decreases the neutron die away time, partly compensated by a larger initial thermal neutron flux. Concerning gamma background, hydrogen capture gamma ray (2.23 MeV) is increased due to the presence of polyethylene but lead around the HPGe decreases the total gamma background. In conclusion, simple modifications are possible to improve detector shielding and life time before thermal annealing of the crystal, without reducing MEDINA cell performances. Some of these modifications will be tested in the coming months. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

WE-DE-BRA-04: A Cost-Effective Pixelated EPID Scintillator for Enhanced Contrast and DQE

Purpose: Beams-eye-view imaging applications such as real-time soft-tissue motion estimation and MV-CBCT are hindered by the inherently low image contrast of electronic portal imaging devices (EPID) currently in clinical use. We investigate a cost effective scintillating glass that provides substantially increased detective quantum efficiency (DQE) and contrast to noise ratio (CNR). Methods: A pixelated scintillator prototype was built from LKH-5 glass. The array is 12mm thick; 42.4×42.4cm2 wide and features 1.51mm pixel pitch with 20µm separation (glue+septa). The LKH-5 array was mounted on the active matrix flat panel imager (AMPFI) of an AS-1200 (Varian) with the GdO2S2:Tb removed. A second AS-1200 was utilized as reference detector. The prototype EPID was characterized in terms of CNR, modulation transfer function (MTF) and DQE. Additionally, the visibility of various fiducial markers typically used in the clinic as well as a realistic 3D-printed lung tumor model was assessed. All items were placed in a 12cm thick solid water phantom. CNR is estimated using a Las Vegas contrast phantom, presampled MTF is estimated using a slanted slit technique and the DQE is calculated from measured normalized noise power spectra (NPS) and the MTF. Results: DQE(0) for the LKH-5 prototype increased by a factor of 8× to about 10%, compared to the AS-1200 equipped with its standard GdO2S2:Tb scintillator. CNR increased by a factor of 5.3×. Due to the pixel size the MTF50 decreased by about 55% to 0.23lp/mm. The visibility of all fiducial markers as well as the tumor model were however markedly improved in comparison to an acquisition with the same parameters using the GdO2S2:Tb scintillator. Conclusion: LKH-5 scintillating glasses allow the cost effective construction of thick pixelated scintillators for portal imaging which can yield a substantial increase in DQE and CNR. Soft tissue and fiducial marker visibility was found to be markedly improved. The project was supported in part by NIH grant R01CA188446-01 and a grant from Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Experimental Highlights: Heavy Quark Physics in Heavy-Ion Collisions at RHIC

The discovery at RHIC of large high-p T suppression and flow of electrons from heavy quarks flavors have altered our view of the hot and dense matter formed in central Au + Au collisions at √s NN = 200 GeV. These results suggest a large energy loss and flow of heavy quarks in the hot, dense matter. In recent years, the RHIC experiments upgraded the detectors; (1) PHENIX Collaboration installed silicon vertex tracker (VTX) at midrapidity region and forward silicon vertex tracker (FVTX) at the forward rapidity region, and (2) STAR Collaboration installed the heavy flavor tracker (HFT) and the muon telescope detector (MTD) both at the mid-rapidity region. The PHENIX experiments established measurements of ψ (1S ) and ψ (2S ) production as a function of system size, p + p, p + Al, p + Au, and 3 He + Au collisions at √s NN = 200 GeV. In p/ 3 He + A collisions at forward rapidity, we observe no difference in the ψ (2S )/ψ (1S ) ratio relative to p + p collisions. At backward rapidity, where the comoving particle density is higher, we find that the ψ (2S ) is preferentially suppressed by a factor of two. STAR Collaboration presents the first J/ ψ measurements in the di-muon decay channel in Au + Au at √s NN = 200 GeV at mid-rapidity. In conclusion, we observe a clear J/ψ R AA suppression and qualitatively well described by transport models, including dissociation and regeneration simultaneously.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

SU-D-201-04: Evaluation of Elekta Agility MLC Performance Using Statistical Process Control

Purpose: to evaluate the performance and stability of the Elekta Agility MLC model using an automated quality control (QC) test in combination with statistical process control tools. Methods: Leaf positions were collected daily for 11 Elekta units over 5–19 months using the automated QC test, which analyzes 23 MV images to determine the location of MLC leaves relative to the radiation isocenter. The leaf positions are measured at 5 nominal positions, and images are acquired at collimator 0° and 180° to capture all MLC leaves in the field-of-view. Leaf positioning accuracy was assessed using individual and moving range control charts. Control limits were recomputed following MLC recalibration (occurred 1–2 times for 4 units). Specification levels of ±0.5, ±1 and ±1.5mm were tested. The mean and range of duration between out-of-control and out-of-specification events were determined. Results: Leaf position varied little over time, as confirmed by very tight individual control limits (mean ±0.19mm, range 0.09–0.44). Mean leaf position error was −0.03mm (range −0.89–0.83). Due to sporadic out-of-control events, the mean in-control duration was 3.3 days (range 1–23). Data stayed within ±1mm specification for 205 days on average (range 3–372) and within ±1.5mm for the entire date range. Measurements stayed within ±0.5mm for 1 day on average (range 0–17); however, our MLC leaves were not calibrated to this level of accuracy. Conclusion: The Elekta Agility MLC model was found to perform with high stability, as evidenced by the tight control limits. The in-specification durations support the current recommendation of monthly MLC QC tests with a ±1mm tolerance. Future work is on-going to determine if Agility performance can be optimized further using high-frequency QC test results to drive recalibration frequency. Factors that can affect leaf positioning accuracy, including beam spot motion, leaf gain calibration, drifting leaves, and image artifacts, are under investigation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

A combined radio and GeV γ-ray view of the 2012 and 2013 flares of Mrk 421

In 2012 Markarian 421 underwent the largest flare ever observed in this blazar at radio frequencies. In the present study, we start exploring this unique event and compare it to a less extreme event in 2013. We use 15 GHz radio data obtained with the Owens Valley Radio Observatory 40-m telescope, 95 GHz millimetre data from the Combined Array for Research in Millimeter-Wave Astronomy, and GeV γ-ray data from the Fermi Gamma-ray Space Telescope . Here, the radio light curves during the flaring periods in 2012 and 2013 have very different appearances, in both shape and peak flux density. Assuming that the radio and γ-ray flares are physically connected, we attempt to model the most prominent sub-flares of the 2012 and 2013 activity periods by using the simplest possible theoretical framework. We first fit a one-zone synchrotron self-Compton (SSC) model to the less extreme 2013 flare and estimate parameters describing the emission region. We then model the major γ-ray and radio flares of 2012 using the same framework. The 2012 γ-ray flare shows two distinct spikes of similar amplitude, so we examine scenarios associating the radio flare with each spike in turn. In the first scenario, we cannot explain the sharp radio flare with a simple SSC model, but we can accommodate this by adding plausible time variations to the Doppler beaming factor. In the second scenario, a varying Doppler factor is not needed, but the SSC model parameters require fine-tuning. Both alternatives indicate that the sharp radio flare, if physically connected to the preceding γ-ray flares, can be reproduced only for a very specific choice of parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2004

Ejecta Generation and Redistribution on 433 Eros: Modeling Ejecta Launch Conditions

The NEAR-Shoemaker mission to asteroid 433 Eros presents an unprecedented opportunity to gain fundamental new knowledge about the processes governing regolith formation and redistribution on small bodies. NEAR-Shoemaker’s high-resolution imaging of the surface of Eros makes the asteroid a valuable and heretofore unparalleled laboratory for the detailed study of impact ejecta reaccretion and regolith redistribution on low-gravity (of order 10 -3 g) objects. Regolith is produced on asteroids by impact cratering, and the existence of regolith on the smallest solar system bodies supports the view that some of the ejecta from impact events on such objects may be retained. Impact craters and retained ejecta on low-gravity objects like Eros represent valuable natural laboratories for evaluating various models of impact cratering processes, since they may present crater structures or ejecta features that either do not form or are hidden on higher-gravity bodies like the Moon. Further, quantifying the extent to which impact processes generate and redistribute regoliths on small body surfaces (excavation depths, retained fraction, turnover timescales, etc.) is pivotal to the issue of how to relate meteoritical samples to their asteroidal parent bodies when surficial processes ( i.e., “space weathering”) may disguise or cover up underlying material and confound the ability of remote sensing techniques to provide reliable mineralogical assays of the parent objects. The rich variety of data on Eros’ regolith properties and distribution returned by NEAR-Shoemaker now require detailed analysis in order to take full advantage of the clues these observations offer for elucidating details of the impact cratering process on small bodies. Complicating simple interpretations of crater and ejecta morphology are dynamical effects on ejecta emplacement resulting from Eros’ irregular shape, rapid (5.27 hr) rotation, and low gravity. Figure 1 shows the very different ejecta deposit morphology that can result if the effects of rotation alone are neglected. Considering the additional complicating factors of Eros’ irregular shape and complex gravitational field, simple calculations of the extent and thickness of ejecta blankets and the spatial distribution of ejecta blocks from basic crater scaling laws or numerical hydrocodes alone do not suffice. In order to fully interpret the suite of NEAR-Shoemaker observations of regolith features across the surface of Eros and to evaluate various impact models for specific craters on the asteroid, detailed dynamical modeling of the deposition of crater ejecta from those craters is required . Here, I describe some modifications and improvements to the dynamical model being used for these studies.

D D Durda↗
DOE OSTI2016

Modeling the Resilience of Nuclear Power Plant for Unexpected Reactor Trip

Resilience can be defined as the intrinsic ability of a system to adjust to its functioning prior to, during, or following changes and disturbances, so that it can sustain required operations under both expected and unexpected conditions. Resilience engineering is a relatively new paradigm for safety management that focuses on how to cope with complexity under pressure or disturbance to achieve success. A resilient system combines inherent human abilities with engineered safety features and organizational features in a controlled and flexible manner both in expected and in unexpected situations. The concept of resilience has been suggested to complement conventional safety analyses. Conventional safety analysis methods such as PSA have several limitations: 1) they primarily focus on technical dimension, 2) the analysis are linear and sequential, 3) they are dominated by static models, 4) they do not take a systemic view into account, and 5) they focus primarily on why accidents happen and not how success is achieved. The concept of resilience provides a more integrated view for the safety analysis in safety-critical systems, e.g., nuclear power plants. The concept of resilience in the organization of NPPs has been highlighted since the Fukushima Daiichi Nuclear Power Plant accident. An IAEA report addresses that a resilient organization is one that quickly realizes deviation from normal operations and has the ability to make even the toughest and least popular decisions and to manage the margins in which it can maneuver. While traditional strategy to safety in NPPs is to identify what could go or has gone wrong, the concept of resilience is focused on what the organization does well and what it does to maintain its successful operation and to capitalize on those processes in the event of an unexpected situation. This study attempts to model the resilience of NPP dynamically, based on the operating experiences in Korean NPPs. First, this study revised the characterization of NPP. Then, a survey on the literature was conducted to identify the influences between the elements in the model of resilience in NPPs. These works provide a qualitative model for the resilience in NPPs. Then, this study reviewed 168 licensee events reports submitted to the Korean regulatory body since 2004 and quantified the relation between the attributes in the model by performing a Pearson correlation analysis. Finally, a few simulations using the System Dynamics were conducted to discuss which factors are most influencing the resilience. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu 14 and Au 20 Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

In view of the tremendous progress in atomically precise metal nanoclusters where electrochemical and optical energetics are routinely supported by computations to establish structure−function correlations, we explore the relationship between different protocols for measuring and computing band gaps of two distinct organic ligand-protected nanoclusters: [Cu 14 H 10 (MBN) 3 (PPh 3 ) 8 ] + and Au 20 (TBBT) 16 . Through UV/visible spectroscopy and differential pulse voltammetry, we measure optical and electrochemical band gaps in those systems. We then compare these experimentally determined gaps to HOMO−LUMO gaps, fundamental gaps, vertical excitation energies, and E o ox − E o red potentials computed using different density functional theory (DFT) or time-dependent DFT (TDDFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree−Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO−LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

Chemical calculations↗
DOE OSTI2016

The energy budget of GRBs based on a large sample of prompt and afterglow observations

We compare the isotropic equivalent 15–2000 keV γ-ray energy, E {sub γ}, emitted by a sample of 91 swift Gamma-Ray Bursts with known redshifts, with the isotropic equivalent fireball energy, E {sub fb}, as estimated within the fireball model framework from X-ray afterglow observations of these bursts. The uncertainty in E {sub γ}, which spans the range of ∼10{sup 51} to ∼10{sup 53.5} erg, is ≈25% on average, due mainly to the extrapolation from the BAT detector band to the 15–2000 keV band. The uncertainty in E {sub fb} is approximately a factor of 2, due mainly to the X-ray measurements’ scatter. We find E {sub γ} and E {sub fb} to be tightly correlated. The average(std) of η{sub γ}{sup 11 hr}≡log{sub 10}(E{sub γ}/(3ε{sub e}E{sub fb}{sup 11 hr})) are −0.34(0.60), and the upper limit on the intrinsic spread of η {sub γ} is approximately 0.5 (ε{sub e} is the fraction of energy carried by electrons and E{sub fb}{sup x hr} is inferred from the X-ray flux at x hours). E{sub fb}{sup 3 hr} and E{sub fb}{sup 11 hr} are similar, with an average(std) of log{sub 10}(E{sub fb}{sup 3 hr}/E{sub fb}{sup 11 hr}) of 0.04(0.28). The small variance of η {sub γ} implies that burst-to-burst variations in ε{sub e} and in the efficiency of fireball energy conversion to γ-rays are small, and suggests that both are of order unity. The small variance of η {sub γ} and the similarity of E{sub fb}{sup 3 hr} and E{sub fb}{sup 11 hr} further imply that deviations from a simple fireball model description, if present, are small. This puts stringent constraints on models incorporating such modifications (due e.g., to radiative losses, energy injection, off-axis viewing).

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Effect of contrast on human speed perception

This study is part of an ongoing collaborative research effort between the Life Science and Human Factors Divisions at NASA ARC to measure the accuracy of human motion perception in order to predict potential errors in human perception/performance and to facilitate the design of display systems that minimize the effects of such deficits. The study describes how contrast manipulations can produce significant errors in human speed perception. Specifically, when two simultaneously presented parallel gratings are moving at the same speed within stationary windows, the lower-contrast grating appears to move more slowly. This contrast-induced misperception of relative speed is evident across a wide range of contrasts (2.5-50 percent) and does not appear to saturate (e.g., a 50 percent contrast grating appears slower than a 70 percent contrast grating moving at the same speed). The misperception is large: a 70 percent contrast grating must, on average, be slowed by 35 percent to match a 10 percent contrast grating moving at 2 deg/sec (N = 6). Furthermore, it is largely independent of the absolute contrast level and is a quasilinear function of log contrast ratio. A preliminary parametric study shows that, although spatial frequency has little effect, the relative orientation of the two gratings is important. Finally, the effect depends on the temporal presentation of the stimuli: the effects of contrast on perceived speed appears lessened when the stimuli to be matched are presented sequentially. These data constrain both physiological models of visual cortex and models of human performance. We conclude that viewing conditions that effect contrast, such as fog, may cause significant errors in speed judgments.

Stone, Leland S.↗
NASA NTRS1995

RY Scuti: Infrared and radio observations of the mass-loss wind of a massive binary star system

We report infrared (IR) imaging, IR photometry, IR spectroscopy, optical/IR photopolarimetry, and Very Large Array (VLA) radio observations of the peculiar binary star RY Scuti. These observations provide an unprecedented view of the detailed spatial structure of the equatorial mass-loss wind of a massive, luminous, 'overcontact' binary system. The binary star (0.43 AU separation) is surrounded by a flattened equatorial disk with an outer radius of approximately = 3 x 10(exp 16) cm (2000 AU) that emits strongly in the IR and radio. The inside of the disk is ionized and emits free-free radiation from hydrogen and 12.8 micrometers forbidden-line emission from (Ne II); the outside of the disk emits thermal radiation from silicate dust. Radio continuum emission is also produced in a compact H II region surrounding the binary. The dust may have a polycyclic aromatic hydrocarbon (PAH) component. We use a rudimentary geometric model in which the thermal IR and radio emission from the disk are assumed to arise in a pair of concentric toroidal rings to estimate the physical properties of the disk. The mean radius of the ionized gas toroid is approximately = 1.3 x 10(exp 16) cm (870 AU), and the mean radius of the dust toroid is approximately = 2.2 x 10(exp 16) cm (1470 AU). RY Scuti has a small intrinsic polarization, with the electric vector perpendicular to the equatorial disk, that is probably caused by electron scattering from hot gas close to the central binary. We conclude that neon in the nebula is overabundant with respect to hydrogen and helium by a factor of between 1.6 and 10. Our IR/radio image data suggest that the circumstellar disk is part of an extensive radiation driven mass-loss outflow that is strongly confined to the equatorial plane of the binary system. The sharp spatial separation of the outer dust torous from the inner ionized gas torus confirms earlier suggestions that dust formation in the circumstellar ejecta of very hot stars must occur in regions that are shielded from the hard radiation field.

Gehrz, R. D.↗
DOE OSTI2017

X-Ray Bolometric Corrections for Compton-thick Active Galactic Nuclei

We present X-ray bolometric correction factors, κ{sub Bol} (≡L{sub Bol}/L{sub X}), for Compton-thick (CT) active galactic nuclei (AGNs) with the aim of testing AGN torus models, probing orientation effects, and estimating the bolometric output of the most obscured AGNs. We adopt bolometric luminosities, L{sub Bol}, from literature infrared (IR) torus modeling and compile published intrinsic 2–10 keV X-ray luminosities, L{sub X}, from X-ray torus modeling of NuSTAR data. Our sample consists of 10 local CT AGNs, where both of these estimates are available. We test for systematic differences in κ{sub Bol} values produced when using two widely used IR torus models and two widely used X-ray torus models, finding consistency within the uncertainties. We find that the mean κ{sub Bol} of our sample in the range of L{sub Bol}≈10{sup 42}--10{sup 45} erg s{sup −1} is log{sub 10} κ{sub Bol} = 1.44 ± 0.12 with an intrinsic scatter of ∼0.2 dex, and that our derived κ{sub Bol} values are consistent with previously established relationships between κ{sub Bol} and L{sub Bol} and κ{sub Bol} and Eddington ratio (λ{sub Edd}). We investigate if κ{sub Bol} is dependent on N{sub H} by comparing our results on CT AGNs to published results on less-obscured AGNs, finding no significant dependence. Since many of our sample are megamaser AGNs, known to be viewed edge-on, and furthermore under the assumptions of AGN unification whereby unobscured AGNs are viewed face-on, our result implies that the X-ray emitting corona is not strongly anisotropic. Finally, we present κ{sub Bol} values for CT AGNs identified in X-ray surveys as a function of their observed L{sub X}, where an estimate of their intrinsic L{sub X} is not available, and redshift, useful for estimating the bolometric output of the most obscured AGNs across cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗