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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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At least 1,405 records · Page 78

PyCCE: A python package for custer correlation expansion simulations of spin qubit dynamics.

PyCCE, an open-source Python library for simulating the dynamics of spin qubits in a spin bath, is presented using the cluster-correlation expansion (CCE) method. PyCCE includes modules to generate realistic spin baths, employing coupling parameters computed from first principles with electronic structure codes, and enables the user to run simulations with either the conventional or generalized CCE method. Three use cases of the Python library are illustrated: the calculation of the Hahn-echo coherence time of the nitrogen-vacancy in diamond; the calculation of the coherence time of the basal divacancy in silicon carbide at avoided crossings; and the calculation for magnetic field orientation-dependent dynamics of a shallow donor in silicon. The complete documentation, downloadable tutorials, and installation instructions are available at https://pycce.readthedocs.io/en/latest/.

coherence↗

High-current electron sources for Superconducting Radiofrequency injectors

Accelerators are finding increasing use in numerous fields such as medicine, industry accelerator-based nuclear energy programs and others. A recent survey reveals only 20 high-energy accelerators worldwide serve elementary-particle physics while thousands of accelerators are routinely used in hospitals and industry (packaging, food sterilization, etc.).

43 PARTICLE ACCELERATORS↗

Power ??ctronics Directions for the Future

This paper will discuss the results of the ??ctronics roadmaps developed for the New Millennium Program. The roadmaps will place into perspective the future directions power ??ctronics will need to take in order to be compatible with the 3-D Avionics packages for future spacecraft architectures for the New Millennium Flight Projects.

Electronics roadmaps New Millennium 3-D Avionics f↗

Packaging Considerations for Integrated RF Microphotonic Receiver at Ka-Band

The NASA Computing, Information and Communications Technology (CICT) Program is supporting the development of an RF microphotonic Ka-band receiver. The receiver consists of a lithium niobate micro-disk that enables the incoming RF signal (up to Ka-band) to be coupled to the optical signal (approx. 200 THz). The modulated optical signal is detected by the high-speed photonic signal processing electronics. When compared with an all-electronic approach, the microphotonic receiver technology offers 1 Ox smaller volume, smaller weight, and smaller power consumption, greater sensitivity, and optical isolation for applications in extreme environments. It could potentially be implemented to support planetary surface-to-surface and surface-to-relay communications, as well as high-data-rate inter-satellite links. We are currently studying a number of fabrication and integration issues that could result as this technology is advanced for potential insertion into a NASA mission. The results of our preliminary effort to integrate the RF microphotonic receiver components (e.g., the lithium niobate micro-disk, the optical elements, and the Ka-band patch antenna) on an etched silicon wafer will be presented, In addition, the concomitant integration and packaging issues, and the potential NASA applications will be discussed.

Nguyen, Hung↗

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Finally, some specific chemical examples include calculations on the strongly correlated Cr 2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

computational modelling↗

JARVIS-Leaderboard: a large scale benchmark of materials design methods

Abstract Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many fields. Materials science, in particular, encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC), and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard/

36 MATERIALS SCIENCE↗

Probing Plasticity and Strain-Rate Effects of Indium Submicron Pillars Using Synchrotron Laue X-ray Microdiffraction

We present that mechanical behaviors and especially the strain-rate responses at the nanoscales of low melting temperature metals, such as indium have not been much studied. Indium is one of the key materials or alloy-components in advanced microelectronics and nanotechnology industry, and understanding their mechanical behaviors at nanoscales becomes increasingly important to ensure lifetime reliability of their applications in novel nanoscale devices or advanced systems (for packaging at the nanoscales, for instance). Synchrotron X-ray microdiffraction has been utilized to examine defect structures of nanoscale materials as well as their strain-rate responses. Nanoscale or advanced microelectronics packaging, for instance, require acceptable levels of drop test results. For these low melting temperature materials especially, this technique offers a unique advantage as conventional methods such as TEM and EBSD will expose the structure to high energy electron beams that may significantly alter the microstructure and defect structure during analysis. Using this approach, we found interesting differences in term of X-ray peak broadening after deformation with different strain rates, which could indicate differences in plasticity mechanisms in the submicron pillars of indium, which could be important for its applications in nanodevices. Finally, understanding these differences could lead to better control of mechanical properties of low melting temperature metals at the nanoscales and thus have important implications for nanodevice reliability.

36 MATERIALS SCIENCE↗

Development of land based radar polarimeter processor system

The processing subsystem of a land based radar polarimeter was designed and constructed. This subsystem is labeled the remote data acquisition and distribution system (RDADS). The radar polarimeter, an experimental remote sensor, incorporates the RDADS to control all operations of the sensor. The RDADS uses industrial standard components including an 8-bit microprocessor based single board computer, analog input/output boards, a dynamic random access memory board, and power supplis. A high-speed digital electronics board was specially designed and constructed to control range-gating for the radar. A complete system of software programs was developed to operate the RDADS. The software uses a powerful real time, multi-tasking, executive package as an operating system. The hardware and software used in the RDADS are detailed. Future system improvements are recommended.

Kronke, C. W.↗

Magellan/Galileo solder joint failure analysis and recommendations

On or about November 10, 1988 an open circuit solder joint was discovered in the Magellan Radar digital unit (DFU) during integration testing at Kennedy Space Center (KSC). A detailed analysis of the cause of the failure was conducted at the Jet Propulsion Laboratory leading to the successful repair of many pieces of affected electronic hardware on both the Magellan and Galileo spacecraft. The problem was caused by the presence of high thermal coefficient of expansion heat sink and conformal coating materials located in the large (0.055 inch) gap between Dual Inline Packages (DIPS) and the printed wiring board. The details of the observed problems are described and recommendations are made for improved design and testing activities in the future.

Ross, Ronald G., Jr.↗

Assessing High-energy, Laser-driven, X-ray Sources as a Technique to Analyse ILW Containers - 18242

The principle concern regarding intermediate level waste (ILW) containers is the internal volumetric expansion due to the formation of corrosion products. To tackle this (via non-destructive testing) the development of a new technique to identify problematic containers was initiated by radiographic imaging and neutron assay of small scale, simulated, nuclear waste packages. This was achieved using a high-energy laser pulse to produce a bright burst of high-energy Bremsstrahlung radiation for imaging and a pulse of thermal energy neutrons for isotopic quantification. The small scale, simulated, nuclear waste packages (typically a quarter of a 28 mm natural uranium penny encased in grout) were produced with corrosion from oxygen and hydrogen rich environments to simulate the potential effects of long term storage. These samples were characterised using electron and ion beam techniques prior to encapsulation to establish the extent of corrosion and sample morphology. The small-scale samples were analysed using high-resolution x-ray tomography (XRT). These 3D pictures identified the corrosion state of the material and the effect on the surrounding grout matrix. These data sets were used as a baseline to compare with the 2D images obtained from the high-energy radiography to ascertain the imaging quality and potential capability of a laser driven inspection system. The study established the non-destructive imaging capability of a high-energy laser driven x-ray source for identifying fine features such as corrosion products on uranium samples encased in grout and cracks, and for penetrative imaging through large thicknesses of grout. In addition, generation of laser-driven neutrons of thermal energy required for active interrogation of uranium isotopes is demonstrated experimentally and simulations of the neutron inspection method are presented, thus paving the way for criticality testing of ILW containers. This current study is single pulse exposure acquisition, but the data can be used to predict the potential capability of a diode-pumped laser-driven system operating at, or above, 10 Hz by utilising, for example, the Dipole laser technology recently delivered by the STFC Central Laser Facility. Such a system will enable 3D tomography of nuclear waste containers and also greatly reduced signal to noise ratio via multiple acquisition and image stacking. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Data systems for the Linac coherent light source

Abstract The data systems for X-ray free-electron laser (FEL) experiments at the Linac coherent light source (LCLS) are described. These systems are designed to acquire and to reliably transport shot-by-shot data at a peak throughput of 5 GB/s to the offline data storage where experimental data and the relevant metadata are archived and made available for user analysis. The analysis and monitoring implementation (AMI) and Photon Science ANAlysis (psana) software packages are described. Psana is open source and freely available.

97 MATHEMATICS AND COMPUTING↗

Vesicular trafficking of immune mediators in human eosinophils revealed by immunoelectron microscopy

Electron microscopy (EM)-based techniques are mostly responsible for our current view of cell morphology at the subcellular level and continue to play an essential role in biological research. In cells from the immune system, such as eosinophils, EM has helped to understand how cells package and release mediators involved in immune responses. Ultrastructural investigations of human eosinophils enabled visualization of secretory processes in detail and identification of a robust, vesicular trafficking essential for the secretion of immune mediators via a non-classical secretory pathway associated with secretory (specific) granules. This vesicular system is mainly organized as large tubular-vesicular carriers (Eosinophil Sombrero Vesicles – EoSVs) actively formed in response to cell activation and provides a sophisticated structural mechanism for delivery of granule-stored mediators. In this review, we highlight the application of EM techniques to recognize pools of immune mediators at vesicular compartments and to understand the complex secretory pathway within human eosinophils involved in inflammatory and allergic responses. - Highlights: • Application of EM to understand the complex secretory pathway in human eosinophils. • EM techniques reveal an active vesicular system associated with secretory granules. • Tubular vesicles are involved in the transport of granule-derived immune mediators.

60 APPLIED LIFE SCIENCES↗

Are Current SEE Test Procedures Adequate for Modern Devices and Electronics Technologies?

Believe it or not, this has been a simplistic look at starting a checklist for SEE testing. Given a memory that has 68 operating modes, when a SEU occurs that changes the mode, just how do you determine what's going on? Laser and microbeam tests can help, but not easily for modern packaged devices. Expanding this approach to other more complex devices such as ADCs or processors as well as analog devices should be considered. The recommendation is to use the existing text standards as the starting point. Just make your own checklist for the device/technology/issues being considered. At HEART 2007, we presented some of the burgeoning challenges associated with single event effect(SEE) testing of modern commercial memories: a) Package, device complexity, test fixture, and data analysis issues were discussed; b) "Complete" SEE Characterization would take 15 years; c) Qualification test costs have a greater than 4 times increase over the last decade. In this talk, we continue to explore the roles of technology with an emphasis on the existing SEE Test Procedures and some of the concerns related to modern devices. The primary objective of the briefing is to provide some overarching guidance concerning the many considerations involved in the formulation of a SEE test plan provided in a " Checklist" format.we note that there is no such thing as a complete check list and that the best approach is to develop a flexible test plan that takes into account the device type and functions, the device technology, circuit and package design, and, of course, test facility and beam characteristics.

LaBel, Kenneth A.↗

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↗