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At least 1,423 records · Page 79

Block2 : A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

block2 is an open source framework to implement and perform density matrix renormalization group and matrix product state algorithms. Out-of-the-box it supports the eigenstate, time-dependent, response, and finite-temperature algorithms. In addition, it carries special optimizations for ab initio electronic structure Hamiltonians and implements many quantum chemistry extensions to the density matrix renormalization group, such as dynamical correlation theories. The code is designed with an emphasis on flexibility, extensibility, and efficiency and to support integration with external numerical packages. Here, we explain the design principles and currently supported features and present numerical examples in a range of applications.

Chemistry↗

Dione: A Pathfinder Mission for Understanding the Iono-sphere-Thermosphere Responses to Magnetospheric Forcing

Dione is a NASA small satellite prototype for future constellations that in different configurations will provide global and localized measurements of Ionosphere-Thermosphere responses to Magnetospheric energy input in a variety of scales, enabling their better forecast and prediction. This is done with a comprehensive sensor package which includes four instruments: a miniaturized fluxgate magnetometer providing magnetic field measurements with two sensor heads, an ion sensor that measures vector plasma drifts and deduce the in-situ electric fields, an electrostatic analyzer that measures precipitating electrons and up-going secondary electrons, and a neutral mass spectrometer measuring total neutral density and composition. Dione is 3-axis stabilized in a circular low-earth (400-600 km), high-inclination orbit, traversing the auroral precipitation and high latitude currents in every orbit. This paper focuses on the mission-level architecture, but provides contextual information on the science objectives, instruments, and space-craft.

Jaime Esper↗

SelenITA: A dual-spacecraft lunar CubeSat mission to characterize the near-surface electromagnetic plasma environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package. PLAIN LANGUAGE ABSTRACT – SelenITA comes from the greek word for Moon, selene, with the addition of “ITA” as a reference to the Brazilian teammate, Instituto Tecnológico de Aeronáutica. In addition, in Portuguese "ita" is a prefix similar to "ite" in English, used in naming minerals, so Selenita could be seen as a lunar gemstone. In Spanish, “ita” is a diminutive suffix for “little” which is appropriate for this CubeSat mission which consists of twin 12U CubeSats in low lunar orbit. The primary science goal of the mission is to distinguish time varying features within the electromagnetic plasma environment near the surface of the Moon. The science objectives include investigating the origins of crustal magnetic fields, plasma interactions with these fields, plasma waves, surface potential, and interior properties. This mission is also interested in the radiation environment at the Moon and the amount of dust at the lunar poles. This is important because it helps us understand how future astronauts will live and work on the lunar surface and identify hazards.

space weather↗

SelenITA: A Dual-Spacecraft Lunar Cubesat Mission to Characterize the Near-Surface Electromagnetic Plasma Environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package.

space weather↗

SelenITA: A Dual-Spacecraft Lunar CubeSat Mission to Characterize the Near-Surface Electromagnetic Plasma Environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package. PLAIN LANGUAGE ABSTRACT – SelenITA comes from the greek word for Moon, selene, with the addition of “ITA” as a reference to the Brazilian teammate, Instituto Tecnológico de Aeronáutica. In addition, in Portuguese "ita" is a prefix similar to "ite" in English, used in naming minerals, so Selenita could be seen as a lunar gemstone. In Spanish, “ita” is a diminutive suffix for “little” which is appropriate for this CubeSat mission which consists of twin 12U CubeSats in low lunar orbit. The primary science goal of the mission is to distinguish time varying features within the electromagnetic plasma environment near the surface of the Moon. The science objectives include investigating the origins of crustal magnetic fields, plasma interactions with these fields, plasma waves, surface potential, and interior properties. This mission is also interested in the radiation environment at the Moon and the amount of dust at the lunar poles. This is important because it helps us understand how future astronauts will live and work on the lunar surface and identify hazards.

space weather↗

FFTF Passive Safety Test Data for Benchmarks for New LMR Designs

Liquid Metal Reactors (LMRs) continue to be considered as an attractive concept for advanced reactor design. Software packages such as SASSYS are being used to im-prove new LMR designs and operating characteristics. Significant cost and safety im-provements can be realized in advanced liquid metal reactor designs by emphasizing inherent or passive safety through crediting the beneficial reactivity feedbacks associ-ated with core and structural movement. This passive safety approach was adopted for the Fast Flux Test Facility (FFTF), and an experimental program was conducted to characterize the structural reactivity feedback. The FFTF passive safety testing pro-gram was developed to examine how specific design elements influenced dynamic re-activity feedback in response to a reactivity input and to demonstrate the scalability of reactivity feedback results to reactors of current interest. The U.S. Department of En-ergy, Office of Nuclear Energy Advanced Reactor Technology program is in the pro-cess of preserving, protecting, securing, and placing in electronic format information and data from the FFTF, including the core configurations and data collected during the passive safety tests. Benchmarks based on empirical data gathered during operation of the Fast Flux Test Facility (FFTF) as well as design documents and post-irradiation examination will aid in the validation of these software packages and the models and calculations they produce. Evaluation of these actual test data could provide insight to improve analytical methods which may be used to support future licensing applications for LMRs

Wootan, David W.↗

The electron Echo 6 mechanical deployment systems

The Echo 6 sounding rocket payload was flown on a Terrier boosted Black Brant vehicle on March 30, 1983. The experiment requirements resulted in the new design of a rocket propelled Throw Away Detector System (TADS) with onboard Doppler radar, a free-flyer forward experiment designated the Plasma Diagnostic Package (PDP), and numerous other basic systems. The design, developmental testing, and flight preparations of the payload and the mechanical deployment systems are described.

Meyers, S. C.↗

Determine Oxidation State of Transition Metals in Molten Salt Corrosion using Electron Energy Loss Spectroscopy

This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni 20Cr model alloy were corroded in molten ZnCl2 and KCl-MgCl2 under argon atmosphere at various temperatures. Oxidation states of Cr (Cr3+) and Ni (Ni2+) in the molten salt after corrosion were determined by monitoring changes in the L2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.

36 MATERIALS SCIENCE↗

The basic matrix library (BML) for quantum chemistry

The basic matrix library package (BML) provides a common application programming interface (API) for linear algebra and matrix functions in C and Fortran for quantum chemistry codes. The BML API is matrix format independent. Currently the dense, compressed sparse row, and ELLPACK-R sparse matrix data types are available, each with different implementations. We show how the second-order spectral projection (SP2) algorithm used to compute the electronic structure of a molecular system represented with a tight-binding Hamiltonian can be successfully implemented with the aid of this library.

97 MATHEMATICS AND COMPUTING↗

An automatically curated first-principles database of ferroelectrics

Ferroelectric materials have technological applications in information storage and electronic devices. The ferroelectric polar phase can be controlled with external fields, chemical substitution and size-effects in bulk and ultrathin film form, providing a platform for future technologies and for exploratory research. In this work, we integrate spin-polarized density functional theory (DFT) calculations, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known, previously-proposed, and newly-proposed ferroelectric materials. With our automated workflow, we screen over 67,000 candidate materials from the Materials Project database to generate a dataset of 255 ferroelectric candidates, and propose 126 new ferroelectric materials. We benchmark our results against experimental data and previous first-principles results. The data provided includes atomic structures, output files, and DFT values of band gaps, energies, and the spontaneous polarization for each ferroelectric candidate. Finally, we contribute our workflow and analysis code to the open-source python packages atomate and pymatgen so others can conduct analogous symmetry driven searches for ferroelectrics and related phenomena.

36 MATERIALS SCIENCE↗

Intelligent laser soldering inspection and process control

Component assembly on printed circuitry keeps making giant strides toward denser packaging and smaller dimensions. From a single layer to multilayer, from through holes to surface mounted components and tape applied bonds, unrelenting progress results in new, difficult problems in assembling, soldering, inspecting and controlling the manufacturing process of the new electronics. Among the major problems are the variables introduced by human operators. The small dimensions and the tight assembly tolerances are now successfully met by machines which are faster and more precise than the human hand. The same is true for soldering. But visual inspection of the solder joints is now so severely limited by the ever shrinking area accessible to the human eye that the inspector's diagnosis cannot be trusted any longer. Solutions to correcting these problems are discussed.

Vanzetti, Riccardo↗

Hybrid particle-in-cell simulations of laser-driven plasma interpenetration, heating, and entrainment

Kinetic-ion, quasineutral, fluid-electron particle-in-cell simulations of interpenetrating carbon–carbon plasma flows in 2D RZ cylindrical geometry are presented. The simulations are initialized with solid density targets that are subsequently irradiated by 10 14 W/cm 2 intensity lasers using a raytracing package. The ablation, interpenetration, heating, slowing, entrainment, and stagnation of the plasma flows evolve self-consistently within the code. The particle density, velocity phase space, and fits to the velocity distribution functions are used, along with analytical collisional stopping rates, to interpret the dynamics of the flow evolution. Comparisons to multifluid simulations are described and used to highlight ion-kinetic effects in the setup. Synthetic Thomson scattering diagnostic signals are generated using detailed knowledge of the plasma distribution functions. The large scale of the system, 1 × 1 mm for 2 ns, and the detailed dynamics extracted demonstrate that such hybrid codes are powerful tools for the design and evaluation of laboratory-scale high-energy-density plasma physics experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Design, development, and fabrication of a electronic analog microminiaturized electronic analog signal to discrete time interval converter

The microminiaturization of an electronic analog signal to discrete time interval converter is presented. Discrete components and integrated circuits comprising the converter were assembled on a thin-film ceramic substrate containing nichrome resistors with gold interconnections. The finished assembly is enclosed in a flat package measuring 3.30 by 4.57 centimeters. The module can be used whenever conversion of analog to digital signals is required, in particular for the purpose of regulation by means of pulse modulation. In conjunction with a precision voltage reference, the module was applied to control the duty cycle of a switching regulator within a temperature range of -55 C to +125 C, and an input voltage range of 10V to 35V. The output-voltage variation was less than + or - 300 parts per million, i.e., less than + or - 3mV for a 10V output.

Schoenfeld, A. D.↗

The neutral oxygen spectrum. 1: Collisionally excited level populations and line intensities under optically thin conditions

This is the first paper in a projected program to produce quantitative information on the spectrum of the neutral oxygen atom under a variety of excitation conditions. Radiative rates and effective collision strengths are assembled from the recent literature where available, or are calculated for as yet untreated transitions using the University College superstructure/distorted-wave computer package, to produce a complete set of atomic data for a 13 hybrid level model of neutral oxygen. Level populations and relative intensities for 28 allowed, inter-combination, and forbidden oxygen lines are computed, under optically thin conditions, for the electron density range 4.0 less than log N(sub e) less than 12.0 and the electron temperature values T(sub e) = 5000, 10,000, 20,000, 50,000, and 100,000 K. Preliminary applications to observed intercombination/allowed and forbidden/allowed line ratios are discussed.

Bhatia, A. K.↗

Microelectromechanical System (MEMS) Device Being Developed for Active Cooling and Temperature Control

High-capacity cooling options remain limited for many small-scale applications such as microelectronic components, miniature sensors, and microsystems. A microelectromechanical system (MEMS) using a Stirling thermodynamic cycle to provide cooling or heating directly to a thermally loaded surface is being developed at the NASA Glenn Research Center to meet this need. The device can be used strictly in the cooling mode or can be switched between cooling and heating modes in milliseconds for precise temperature control. Fabrication and assembly employ techniques routinely used in the semiconductor processing industry. Benefits of the MEMS cooler include scalability to fractions of a millimeter, modularity for increased capacity and staging to low temperatures, simple interfaces, limited failure modes, and minimal induced vibration. The MEMS cooler has potential applications across a broad range of industries such as the biomedical, computer, automotive, and aerospace industries. The basic capabilities it provides can be categorized into four key areas: 1) Extended environmental temperature range in harsh environments; 2) Lower operating temperatures for electronics and other components; 3) Precision spatial and temporal thermal control for temperature-sensitive devices; and 4) The enabling of microsystem devices that require active cooling and/or temperature control. The rapidly expanding capabilities of semiconductor processing in general, and microsystems packaging in particular, present a new opportunity to extend Stirling-cycle cooling to the MEMS domain. The comparatively high capacity and efficiency possible with a MEMS Stirling cooler provides a level of active cooling that is impossible at the microscale with current state-of-the-art techniques. The MEMS cooler technology builds on decades of research at Glenn on Stirling-cycle machines, and capitalizes on Glenn s emerging microsystems capabilities.

Beach, Duane E.↗

Charge Exchange, from the Sky to the Laboratory: A Method to Determine State-Selective Cross-Sections for Improved Modeling

Charge exchange (CX) is a semi-resonant recombination process that can lead to spectral line emission in the X-ray band. It occurs in nearly any environment where hot plasma and cold gas interact: in the solar system, in comets and planetary atmospheres, and likely astrophysically, in, for example, supernova remnants and galaxy clusters. It also contributes to the soft X-ray background. Accurate spectral modeling of CX is thus critical to properly interpreting our astrophysical observations, but the commonly used CX models in popular spectral fitting packages often rely on scaling equations and may not accurately describe observations or laboratory measurements. This paper introduces a method that can be applied to high-resolution CX spectra to directly extract state-selective CX cross-sections for electron capture, a key parameter for properly simulating the resulting CX spectrum.

Gabriele L. Betancourt-Martinez↗

Space Suit Portable Life Support System Oxygen Regulator History, Development, & Testing Results

An oxygen regulator has been in development for the space suit Exploration Extravehicular Mobility Unit (xEMU) Portable Life Support System (PLSS). The regulator provides the necessary oxygen pressure for the crew member during pre-breathe, extra-vehicular activity (EVA), post EVA airlock operations, and decompression sickness treatment. The last time a spacesuit oxygen regulator was designed was for the Space Shuttle Program EMU. The regulator & EMU were then used on the International Space Station (ISS) with no significant changes to the regulator throughout its life. This xEMU PLSS spacesuit oxygen regulator implements many elements of the previous EMU Secondary Oxygen Pack (SOP) design while integrating numerous new improvements and changes. There are changes both to the high-level regulator architecture approach in the suit itself, in addition to modernizations with electrical motor control & sensing. For architecture, there are two oxygen regulators for each space suit, a primary and secondary that are nearly identical to each other and have the same maximum design pressure of 3750 Pounds per Square Inch Absolute (PSIA). The primary regulator provides nominal pressure during EVA, while the secondary provides a backup pressure only in case of primary regulator failure or if an emergency purge of the suit oxygen is required. The design was based originally off of the secondary oxygen regulator on the EMU which utilizes a two-stage regulator to improve safety and controllability. The xEMU PLSS Oxygen Regulator development started with a modification to add a linear actuator to the design to control the downstream pressure electronically instead of a manual control with a wire linkage system used with the EMU. The design was iterated to include a Monel body for oxygen fire safety, and sensors for pressure verification at each stage. Then the regulator design was packaged to fit into the xEMU PLSS envelope. Development included extensive testing which brought to light some issues with the design which were addressed at each stage of development. This paper will review the design history, development, testing results, and lessons learned designing the xEMU PLSS Oxygen Regulator.

Ryan Ogilvie↗

HB-Line Plutonium Oxide Data Collection Strategy

HB-Line and H-Canyon will handle and process plutonium material to produce plutonium oxide for feed to the Mixed Oxide Fuel Fabrication Facility (MFFF). However, the plutonium oxide product will not be transferred to the MFFF directly from HB-Line until it is packaged into a qualified DOE-STD-3013-2012 container. In the interim, HB-Line will load plutonium oxide into an inner, filtered can. The inner can will be placed in a filtered bag, which will be loaded into a filtered outer can. The outer can will be loaded into a certified 9975 with getter assembly in compliance with onsite transportation requirement, for subsequent storage and transfer to the K-Area Complex (KAC). After DOE-STD-3013-2012 container packaging capabilities are established, the product will be returned to HB-Line to be packaged into a qualified DOE-STD-3013-2012 container. To support the transfer of plutonium oxide to KAC and then eventually to MFFF, various material and packaging data will have to be collected and retained. In addition, data from initial HB-Line processing operations will be needed to support future DOE-STD-3013-2012 qualification as amended by the HB-Line DOE Standard equivalency. As production increases, the volume of data to collect will increase. The HB-Line data collected will be in the form of paper copies and electronic media. Paper copy data will, at a minimum, consist of facility procedures, nonconformance reports (NCRs), and DCS print outs. Electronic data will be in the form of Adobe portable document formats (PDFs). Collecting all the required data for each plutonium oxide can will be no small effort for HB-Line, and will become more challenging once the maximum annual oxide production throughput is achieved due to the sheer volume of data to be collected. The majority of the data collected will be in the form of facility procedures, DCS print outs, and laboratory results. To facilitate complete collection of this data, a traveler form will be developed which identifies the required facility procedures, DCS print outs, and laboratory results needed to assemble a final data package for each HB-Line plutonium oxide interim oxide can. The data traveler may identify the specific values (data) required to be extracted from the collected facility procedures and DCS print outs. The data traveler may also identify associated criteria to be checked. Inevitably there will be procedure anomalies during the course of the HB-Line plutonium oxide campaign that will have to be addressed in a timely manner.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗