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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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DOE OSTI2023

Strategies for Achieving the DOE Hydrogen Shot Goal: Thermal Conversion Approaches

In July 2021 the United States (U.S.) Department of Energy (DOE) launched the first of a series of Department-wide Energy Earthshot goals designed to accelerate breakthroughs of more abundant, affordable, and reliable clean energy solutions within the decade. The Hydrogen Shot goal seeks to reduce the cost of clean hydrogen to $\$$1 per 1 kilogram in 1 decade ("1 1 1"). Today, thermal conversion of fossil fuels represents the predominant, lowest cost method of hydrogen production. In 2020 approximately 75 percent of global, dedicated hydrogen production was produced via fossil fuels using thermal conversion approaches such as steam reforming and gasification. However, carbon management techniques such as CO 2 capture and sequestration (CCS) and pyrolysis are not widely represented in the current fossil-based hydrogen production fleet. Lowering the cost of clean hydrogen production from commercial and advanced thermal conversion-based technologies is critical for successfully achieving the Hydrogen Shot goal. This report presents the findings from an initial screening analysis of several scenarios that explore cost drivers related to clean hydrogen production. The screening encompasses commercially available and developing thermal conversion technology alternatives as well as factors exogenous to the plant such as feedstock/byproduct pricing, CO 2 pipeline and storage infrastructure costs, and scale to assess potential pathways towards meeting the Hydrogen Shot goal. Additionally, this report presents initial Research and Development (R&D) strategies to advance thermal conversion technology towards meeting the Hydrogen Shot goal.

08 HYDROGEN↗
DOE OSTI2023

Hydrogen Shot Technology Assessment: Thermal Conversion Approaches

In July 2021 the United States (U.S.) Department of Energy (DOE) launched the first of a series of Department-wide Energy Earthshot™ goals designed to accelerate breakthroughs of more abundant, affordable, and reliable clean energy solutions within the decade. The Hydrogen Shot goal seeks to reduce the cost of clean hydrogen to $\$$1 per 1 kilogram in 1 decade ("1 1 1"). Today, thermal conversion of fossil fuels represents the predominant, lowest cost method of hydrogen production. In 2020 approximately 75 percent of global, dedicated hydrogen production was produced via fossil fuels using thermal conversion approaches such as steam reforming and gasification. However, carbon management techniques such as CO 2 capture and sequestration (CCS) and pyrolysis are not widely represented in the current fossil-based hydrogen production fleet. Lowering the cost of clean hydrogen production from commercial and advanced thermal conversion-based technologies is critical for successfully achieving the Hydrogen Shot goal. This report presents the findings from an initial screening analysis of several scenarios that explore cost drivers related to clean hydrogen production. The screening encompasses commercially available and developing thermal conversion technology alternatives as well as factors exogenous to the plant such as feedstock/byproduct pricing, CO 2 pipeline and storage infrastructure costs, and scale to assess potential pathways towards meeting the Hydrogen Shot goal. Additionally, this report presents initial Research and Development (R&D) strategies to advance thermal conversion technology towards meeting the Hydrogen Shot™ goal.

08 HYDROGEN↗
DOE OSTI2014

The Practical Obstacles of Data Transfer: Why researchers still love scp

The importance of computing facilities is heralded every six months with the announcement of the new Top500 list, showcasing the world s fastest supercomputers. Unfortu- nately, with great computing capability does not come great long-term data storage capacity, which often means users must move their data to their local site archive, to remote sites where they may be doing future computation or anal- ysis, or back to their home institution, else face the dreaded data purge that most HPC centers employ to keep utiliza- tion of large parallel filesystems low to manage performance and capacity. At HPC centers, data transfer is crucial to the scientific workflow and will increase in importance as computing systems grow in size. The Energy Sciences Net- work (ESnet) recently launched its fifth generation network, a 100 Gbps high-performance, unclassified national network connecting more than 40 DOE research sites to support scientific research and collaboration. Despite the tenfold increase in bandwidth to DOE research sites amenable to multiple data transfer streams and high throughput, in prac- tice, researchers often under-utilize the network and resort to painfully-slow single stream transfer methods such as scp to avoid the complexity of using multiple stream tools such as GridFTP and bbcp, and contend with frustration from the lack of consistency of available tools between sites. In this study we survey and assess the data transfer methods pro- vided at several DOE supported computing facilities, includ- ing both leadership-computing facilities, connected through ESnet. We present observed transfer rates, suggested opti- mizations, and discuss the obstacles the tools must overcome to receive wide-spread adoption over scp.

Nam, Hai Ah↗
DOE OSTI2022

Study of solid molecular deuterium D 2 growth under gas pressure

The injection of high-speed cryogenic pellets made of frozen hydrogen-isotopes, represents to date the most effective method to fuel magnetically confined thermonuclear fusion plasmas. Additionally, the injection of very large pellets composed of cryogenic solid of some suitable impurity (typically a noble-gas such as H 2 , Ne, or H 2 /Ne, D 2 /Ne mixtures), shattered in relatively small fragments just before entering the plasma, seems to be the most promising method to reduce the damage risks for the plasma-facing components in case of a plasma disruption. This technology, known as "Shattered Pellet Injection" (SPI), allows to spread out the plasma energy and mitigate possible damage to the in-vessel components, as well as to densify the plasma to suppress the formation of runaway electrons, and/or dissipate their energy. Several techniques to produce and launch cryogenic pellets have been investigated in the past decades. "Pipe gun" injectors are reliable and relatively simple devices are still commonly used today. They make use of single- or two-stage pneumatic light-gas guns to accelerate the pellet at high speeds. In these injectors, the cryogenic pellets are formed “ in situ ” (i.e., inside the launching barrel), by de-sublimating them directly from the gas phase, i.e., at temperatures and pressures below those of the triple point. The simplest case is pure deuterium pellets ($\mathcal{T}$ < 18.7 K, $\mathcal{P}$ < 171.3 hPa). The production of good quality solid deuterium, capable of withstanding the mechanical stress during the acceleration of the pellets, is a key issue. To this end the phase transition of deuterium from gas to solid (and vice versa) is modeled with extensive molecular-dynamics (MD) simulations. Furthermore, the solid growth from the gas phase is simulated in an ample range of temperatures and pressures, to find the best compromise between growth velocity and mechanical properties of the resulting solid system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Analysis and Support for LANL Technology Testbed: High Altitude Balloon Gondola and Orion Eagle Gamma Ray Detection Instrument

The Analysis and Support for LANL Technology Testbed: High Altitude Balloon Gondola and Orion Eagle Gamma-Ray Detection Instrument is a project where Los Alamos National Laboratory (LANL), in conjunction with the University of Michigan, are looking into gamma-ray detection in a space-like environment. The purpose of the detection is to work on instruments that can assist with planetary exploration and nuclear deterrents using a High-Altitude Balloon (HAB). For this paper, the main focus is on the mechanical aspects related to the structural analysis of the gondola. It is vital to understand the structural analysis because it helps determine if the gondola can survive the changes in the environment and the different forces or shocks that it will experience when the parachute is deployed and at landing. Additionally, NASA's Balloon Program Office (BPO) has specific requirements to meet to achieve flight certifications. Part of those certifications requires the gondola to simulate different scenarios at specific conditions with various forces applied and orientations. Therefore, it is necessary to adjust the calculations of each method and the force applied to get the right results. Once that is done, the information is inputted into the structural analysis modeling system. The system will aid the mechanical team in assessing the conditions of the gondola at each scenario and determine its margin of safety. After the gondola and instrument are certified, the payload will be able to fly. The HAB and payload are launched from NASA's Columbia Scientific Balloon Facility (CSBF) at Fort Sumner, NM. The official flight was on September 26th, 2021.

42 ENGINEERING↗
DOE OSTI2020

Generation IV Benchmarking of TRISO Fuel Performance Models Under Accident Conditions Final Report

The Generation IV International Forum (GIF) is a co-operative international endeavor of fourteen members organized to carry out the research and development needed to establish the feasibility and performance capabilities of the next generation nuclear energy systems. GIF selected six reactor technologies, amongst which is the Very High Temperature Reactor (VHTR) that is primarily dedicated to the cogeneration of electricity and hydrogen. The technical basis for VHTR is the tristructural isotropic (TRISO)-coated particle fuel, the graphite as the core structure, helium coolant, as well as the dedicated core layout and lower power density to removal decay heat in a natural way. At the heart of safety features of the VHTR concept lie the TRISO fuel particles that are designed to keep their structural integrity and retain fission products at temperatures up to 1600°C. As part as the design and future operation of VHTRs, a key aspect is the accurate prediction of fuel performance under irradiation and accident conditions. Modeling and simulation allow prediction of TRISO fuel behavior when subject to neutron flux and in high temperature accident scenarios. The refinement of the fuel performance models and codes is performed by comparison to in-pile and out-of-pile experimental data that reproduce the expected irradiation conditions in high temperature gas-cooled reactors (HTGRs). Historically, the International Atomic Energy Agency (IAEA) developed a benchmark dedicated to the validation of predictive methods for fuel and fission product behavior through the Coordinated Research Program CRP-2 (IAEA, 1997). CRP-2 was later updated to cover fuel fabrication, quality assurance, irradiation performance, safety testing, and spent fuel. The scope of the resulting CRP-6 benchmarks focused on HTGR fuel performance and fission product release (IAEA, 2012). Taking advantage of additional TRISO fuel fabrication, irradiation, and safety testing campaigns, GIF launched a Generation IV Benchmarking of TRISO Fuel Performance Models under Accident Conditions in late 2015. This GIF benchmark is a three-year program steered by Idaho National Laboratory (INL, USA). The other participants include the Japan Atomic Energy Agency (JAEA, Japan) and the Korea Atomic Energy Research Institute (KAERI, Korea). The objectives of the benchmark are to: follow on the IAEA CRP benchmarks, (2) model fission product release under accident conditions, (3) compare results obtained by the fuel performance modeling codes of the benchmark participants, and (4) compare these code predictions to experimental data. Safety tests chosen for modeling include the first and second experiments of the Advanced Gas Reactor program (AGR-1 and AGR-2) and the High Flux Reactor (HFR) EU1bis experiment. This report presents the results obtained by the three research institutions using their respective fuel performance modeling codes. Comparisons of the corresponding fission product release predictions are made with experimental data from AGR-1, AGR-2, and HFR-EU1bis. The benchmark results show good agreements between all participants but also show a general trend of over-prediction of the experimental release data, which is mainly attributed to the use of over-estimated diffusion coefficients.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Results for Phase I of the IAEA Coordinated Research Program on HTGR Uncertainties

The quantification of uncertainties in design and safety analysis of reactors is today not only broadly accepted, but in many cases became the preferred way to replace traditional conservative analysis for safety and licensing analysis. The use of a more fundamental methodology is also consistent with the reliable high fidelity physics models and robust, efficient, and accurate codes available today. To facilitate uncertainty analysis applications a comprehensive approach and methodology must be developed and applied. High Temperature Gas-cooled Reactors (HTGR) has its own peculiarities, coated particle design, large graphite quantities, different materials and high temperatures that also require other simulation requirements. The IAEA has therefore launched a Coordinated Research Project (CRP) on the HTGR Uncertainty Analysis in Modeling (UAM) in 2013 to study uncertainty propagation specifically in the HTGR analysis chain. Two benchmark problems are defined, with the prismatic design represented by the General Atomics (GA) MHTGR-350 and a 250 MW modular pebble bed design similar to the HTR-PM (INET, China). This report summarizes the contributions of the HTGR Methods Simulation group at Idaho National Laboratory (INL) up to this point of the CRP. The activities at INL have been focused so far on creating the problem specifications for the prismatic design, as well as providing reference solutions for the exercises defined for Phase I. An overview is provided of the HTGR UAM objectives and scope, and the detailed specifications for Exercises I-1, I-2, I-3 and I-4 are also included here for completeness. The main focus of the report is the compilation and discussion of reference results for Phase I (i.e. for input parameters at their nominal or best-estimate values), which is defined as the first step of the uncertainty quantification process. These reference results can be used by other CRP participants for comparison with other codes or their own reference results. The status on the Monte Carlo modeling of the experimental VHTRC facility is also discussed. Reference results were obtained for the neutronics stand-alone cases (Ex. I-1 and Ex. I-2) using the (relatively new) Monte Carlo code Serpent, and comparisons were performed with the more established Monte Carlo codes MCNP and KENO-VI. For the thermal-fluids stand-alone cases (Ex. I-3 and I-4) the commercial CFD code CFX was utilized to obtain reference results that can be compared with lower fidelity tools.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Multi-spacecraft Observations of the Coronal and Interplanetary Evolution of a Solar Eruption Associated with Two Active Regions

We investigate the coronal and interplanetary evolution of a coronal mass ejection (CME) launched on 2010 September 4 from a source region linking two active regions (ARs), 11101 and 11103, using extreme ultraviolet imaging, magnetogram, white-light, and in situ observations from SDO , STEREO , SOHO , VEX , and Wind . A potential-field source-surface model is employed to examine the configuration of the coronal magnetic field surrounding the source region. The graduated cylindrical shell model and a triangulation method are applied to determine the kinematics of the CME in the corona and interplanetary space. From the remote sensing and in situ observations, we obtain some key results: (1) the CME was deflected in both the eastward and southward directions in the low corona by the magnetic pressure from the two ARs, and possibly interacted with another ejection, which caused that the CME arrived at VEX that was longitudinally distant from the source region; (2) although VEX was closer to the Sun, the observed and derived CME arrival times at VEX are not earlier than those at Wind , which suggests the importance of determining both the frontal shape and propagation direction of the CME in interplanetary space; and (3) the ICME was compressed in the radial direction while the longitudinal transverse size was extended.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Update of Residential Load Profile for WECC Load Composition Model Using Cross-Correlation Method

The Western Electricity Coordinating Council (WECC) initiated the development of a composite load model for transmission-level power system simulators. To more precisely utilize the model to represent the power consumption pattern for various locations of the WECC network, an up-to-date load composition dataset is required. The study in this paper aims to reconstruct the residential sector of the load composition model (LCM) dataset using latest survey or measurement data. The LCM residential dataset contains load profiles for twelve climate zones and five season types. The northwest energy efficiency alliance (NEEA) launched a study to generate the load profiles for four climate zones in the Pacific Northwest. Based on the NEEA database, a component-wise cross-correlation-based approach has been developed in this paper to update the obsolete residential load profiles of the four pacific northwest climate zones and populate the new load shape data into the other eight climate zones.

Liu, Yuan↗
DOE OSTI2011

Flexible concentrator photovoltaics based on microscale silicon solar cells embedded in luminescent waveguides

Unconventional methods to exploit monocrystalline silicon and other established materials in photovoltaic (PV) systems can create new engineering opportunities, device capabilities and cost structures. Here we show a type of composite luminescent concentrator PV system that embeds large scale, interconnected arrays of microscale silicon solar cells in thin matrix layers doped with luminophores. Photons that strike cells directly generate power in the usual manner; those incident on the matrix launch wavelength-downconverted photons that reflect and waveguide into the sides and bottom surfaces of the cells to increase further their power output, by more than 300% in examples reported here. Unlike conventional luminescent photovoltaics, this unusual design can be implemented in ultrathin, mechanically bendable formats. Furthermore, detailed studies of design considerations and fabrication aspects for such devices, using both experimental and computational approaches, provide quantitative descriptions of the underlying materials science and optics.

14 SOLAR ENERGY↗
DOE OSTI2012

Negative ion rich plasmas in continuous and pulsed wave modes in a minimum-B magnetic field

Generation of hydrogen negative ion rich plasmas is investigated in continuous wave (CW) and pulse modulated (PM) wave modes of 2.45 GHz in a minimum-B magnetic field. The waves are launched directly into the plasma device and utilize wave particle resonances for high density plasma generation. In CW operation, the chamber is divided into two sections, namely, the source and downstream region, separated by a transverse magnetic field that allows only cold electrons ({approx}1 eV) into the downstream region helpful for the generation of negative ions. The H{sup -} density is measured by the second derivative beat method and is compared with the values obtained from a steady state model and the extracted current density. In the pulsed mode, temporal filtering generates negative ion rich plasmas in the afterglow phase. The H{sup -} density in the afterglow is estimated using saturation current ratio method and the results are compared with a time dependent model using particle balance equations. The essential idea in both the filtering techniques is to assist generation of negative ions and prevent its destruction by hot electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Seismoacoustic Signatures Observed During a Long-Term Deployment of Infrasound Sensors at the Nevada National Security Site

Earthquakes have repeatedly been shown to produce inaudible acoustic signals (<20 Hz), otherwise known as infrasound. These signals can propagate hundreds to thousands of kilometers and still be detected by ground-based infrasound arrays depending on the source strength, distance between source and receiver, and atmospheric conditions. Another type of signal arrival at infrasound arrays is the seismic induced motion of the sensor itself, or ground-motion-induced sensor noise. Measured acoustic and seismic waves produced by earthquakes can provide insight into properties of the earthquake such as magnitude, depth, and focal mechanism, as well as information about the local lithology and atmospheric conditions. Large earthquakes that produce strong acoustic signals detected at distances greater than 100 km are the most commonly studied; however, more recent studies have found that smaller magnitude earthquakes ($M$ w <2.0) can be detected at short ranges. In that vein, this study will investigate the ability for a long-term deployment of infrasound sensors (deployed as part of the Source Physics Experiments [SPE] from 2014 to 2020) to detect both seismic and infrasonic signals from earthquakes at local ranges (<50 km). Methods used include a combination of spectral analysis and automated array processing, supported by U.S. Geological Survey earthquake bulletins. Further, this investigation revealed no clear acoustic detections for short range earthquakes. However, secondary infrasound from an $M$ w 7.1 earthquake over 200 km away was detected. Important insights were also made regarding the performance of the SPE networks including detections of other acoustic sources such as bolides and rocket launches. Finally, evaluation of the infrasound arrays is performed to provide insight into optimal deployments for targeting earthquake infrasound.

58 GEOSCIENCES↗
DOE OSTI2022

Radiation hydrodynamics modelling of kilonovae with SNEC

ABSTRACT We develop a method to compute synthetic kilonova light curves that combine numerical relativity simulations of neutron star mergers and the SNEC radiation–hydrodynamics code. We describe our implementation of initial and boundary conditions, r-process heating, and opacities for kilonova simulations. We validate our approach by carefully checking that energy conservation is satisfied and by comparing the SNEC results with those of two semi-analytic light-curve models. We apply our code to the calculation of colour light curves for three binaries having different mass ratios (equal and unequal mass) and different merger outcome (short-lived and long-lived remnants). We study the sensitivity of our results to hydrodynamic effects, nuclear physics uncertainties in the heating rates, and duration of the merger simulations. We find that hydrodynamics effects are typically negligible and that homologous expansion is a good approximation in most cases. However, pressure forces can amplify the impact of uncertainties in the radioactive heating rates. We also study the impact of shocks possibly launched into the outflows by a relativistic jet. None of our models match AT2017gfo, the kilonova in GW170817. This points to possible deficiencies in our merger simulations and kilonova models that neglect non-LTE effects and possible additional energy injection from the merger remnant and to the need to go beyond the assumption of spherical symmetry adopted in this work.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Shock Initiation Microscopy with High Time and Space Resolution

In this paper, we describe studies of shock initiation and shock-to-detonation transitions in energetic materials using a tabletop shock compression microscope with nanosecond time resolution and micrometer spatial resolution. Planar input shocks with durations of 4–20 ns are produced using 0–4.5 km/s laser-launched flyer plates. Emphasis is on measurements of temperature, velocities, pressure, and microstructure using photon Doppler velocimetry (PDV), optical pyrometry and high-speed videography. Techniques are discussed for fabricating disposable shock target arrays of tiny plastic-bonded explosives (PBX), liquid and powder explosives, and single-crystal explosives for high-throughput studies. Optical temperature measurements of shocked triaminotrinitrobenzene (TATB) are discussed. Since TATB is yellow, we developed methods to correct for the blue absorption to obtain more accurate temperatures. Hot spots in shocked polymer-encased HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) crystals are observed in real-time, showing a hot spot produced in a collapsing void that ignites a deflagration. Despite the small dimensions of our explosive charges (typically 1 mm diameter and 250 μm length), we produced reproducible detonation states in solid and liquid explosives using short-duration shocks near the von Neumann spike (VNS) pressure. We show the VNS pressure is associated with a transition to high-efficiency gas production from the explosives. In studies of NM, prior to detonation, we see reaction originating at hot spots which coalesce to form a superdetonation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Persistent mysteries of jet engines, formation, propagation, and particle acceleration: Have they been addressed experimentally?

Here, the physics of astrophysical jets can be divided into three regimes: (i) engine and launch (ii) propagation and collimation, (iii) dissipation and particle acceleration. Since astrophysical jets comprise a huge range of scales and phenomena, practicality dictates that most studies of jets intentionally or inadvertently focus on one of these regimes, and even therein, one body of work may be simply boundary condition for another. We first discuss long standing persistent mysteries that pertain the physics of each of these regimes, independent of the method used to study them. This discussion makes contact with frontiers of plasma astrophysics more generally. While observations theory, and simulations, and have long been the main tools of the trade, what about laboratory experiments? Jet related experiments have offered controlled studies of specific principles, physical processes, and benchmarks for numerical and theoretical calculations. We discuss what has been accomplished on these fronts. Although experiments have indeed helped us to understand certain processes, proof of principle concepts, and benchmarked codes, they have yet to solved an astrophysical jet mystery on their own. A challenge is that experimental tools used for jet-related experiments so far, are typically not machines originally designed for that purpose, or designed with specific astrophysical mysteries in mind. This presents an opportunity for a different way of thinking about the development of future platforms: start with the astrophysical mystery and build an experiment to address it.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

RF design of APEX2 two-cell continuous-wave normal conducting photoelectron gun cavity based on multi-objective genetic algorithm

High brightness, high repetition rate electron beams are key components for optimizing the performance of next generation scientific instruments, such as MHz-class X-ray Free Electron Laser (XFEL) and Ultra-fast Electron Diffraction/Microscopy (UED/UEM). In the Advanced Photo-injector EXperiment (APEX)at Berkeley Lab, a photoelectron gun based on a 185.7 MHz normal conducting re-entrant RF cavity, has been proven to be a feasible solution to provide high brightness, high repetition rate electron beam for both XFEL and UED/UEM. Based on the success of APEX, a new electron gun system, named APEX2, has been under development to further improve the electron beam brightness. For APEX2, we have designed a new 162.5 MHz two-cell photoelectron gun and achieved a significant increase on the cathode launching field and the beam exit energy. For a fixed charge per bunch, these improvements will allow for the emittance reduction and hence to an increased beam brightness. The design of APEX2 gun cavity is a complex problem with multiple design goals and restrictions, some even competing each other. In conclusion, for a systematic and comprehensive search for the optimized cavity geometry, we have developed and implemented a novel optimization method based on the Multi-Objective Genetic Algorithm (MOGA).

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Role of opacity at the 9 keV back lighter energy used in measuring the equation of state of boron at pressures up to a Gbar

Many experiments have been conducted at the National Ignition Facility to measure the equation of state Hugoniot of plastic, boron, and diamond at extreme pressures up to a Gbar. The “Gbar” design employs a strong spherically converging shock launched through a solid ball of material using a hohlraum radiation drive. The shock front conditions are characterized using X-ray radiography, typically at energies near 9 keV. Here we examine how the opacity of boron at 9 keV changes at high pressures and temperatures. Understanding this is vital to unfolding the density in the shock front as pressures exceed 100 Mbar. We compare opacity calculations from a number of methods including the legacy XSN opacity tables, super transition array (STA), average atom (AVAT), and detailed configuration accounting (DCA) methods. We examine how the changing opacity is correlated with the K-shell occupation calculated using the opacity methods as well as other electronic structure methods such as MECCA, Purgatorio, and an all-electron Kohn-Sham density functional theory calculation that uses optimized all-electron norm-conserving Vanderbilt pseudopotentials (ONCV). We also examine the relative contribution of free-free opacity to the overall opacity, which is dominated by bound-free absorption.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

THE CATALOG OF POSITIONS OF OPTICALLY BRIGHT EXTRAGALACTIC RADIO SOURCES OBRS-2

Future space-borne astrometry missions, such as Gaia, will be able to determine the optical positions of hundreds of quasars with submilliarcsecond accuracies comparable to those achieved in radio by very long baseline interferometry (VLBI). Comparisons of coordinate systems from space-borne missions and VLBI will be very important, first for investigations of possible systematic errors and second for investigations of possible shifts between centroids of radio and optical emissions in active galactic nuclei. In order to make such a comparison more robust, a program for densification of the grid of radio sources detectable with both VLBI and Gaia was launched in 2006. Program sources are 398 quasars with declinations > - 10 Degree-Sign that are brighter than 18 mag at the V band. The first two observing campaigns were run in 2007-2008. In the third campaign, a set of 291 objects from that list was observed with the VLBA+EVN in 2010-2011 with the primary goal of producing their images with milliarcsecond resolution. In this paper, following the method of absolute astrometry, coordinates of observed sources have been derived with milliarcsecond accuracies from analysis of these observations. The catalog of positions of 295 target sources, estimates of their correlated flux densities at 2.2 and 8.4 GHz, and their images are presented. The accuracies of source coordinates are in a range of 2-200 mas, with a median of 3.2 mas.

79 ASTRONOMY AND ASTROPHYSICS↗