Synthesis and Quantum Metrology of Metal-Organic Framework-Coated Nanodiamonds Containing Nitrogen Vacancy Centers
ACS Spring 2022 National Meeting, Virtual, March 20-24, 2022
Shugayev, Roman↗
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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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A Chemist’s Guide to Solid-State Qubits: Diamond Color Centers as Embedded Vacancy-Centered Molecules
Diamond point defects or color centers are at the crux of solid-state quantum technology applications, from computing to sensing. Modeling molecular qubits has advanced by leaps and bounds mainly due to the advanced quantum mechanical (QM) tools in the arsenal of quantum chemists for modeling (isolated) molecular systems, which should be easily translatable for analogous systems in the solid state. Here, we simulate a series of diamond defects: a carbon vacancy (V C ) and second row substitutions that are adjacent to a V C or D C V C , with D = B, N, and O, to evaluate their magnetic and optical properties. We applied molecular orbital principles, an embedded cluster method, and a multiconfigurational QM theory to computationally characterize the above-mentioned defects for a multitude of spin, charge, and excited states. Our computational approach delivered high-quality QM insights that compare well with experiments. Furthermore, with this framework, we confirm the spin-triplets B C V C – and O C V C 0 to be analogous to N C V C – , with calculated bright transitions that respectively correspond to UV (3.80 eV) and blue (2.65 eV) light absorption and emission lifetimes (τ) of 2.3 and 5.6 ns, which are higher in energy and more short-lived (and thus brighter) than that for N C V C – : green (2.26 eV), τ = 9.5 ns.
Martirez, John Mark P. [Princeton Plasma Physics L↗
Machine-learning-aided cognitive reconfiguration for flexible-bandwidth HPC and data center networks [Invited]
This paper proposes a machine-learning (ML)-aided cognitive approach for effective bandwidth reconfiguration in optically interconnected datacenter/high-performance computing (HPC) systems. The proposed approach relies on a Hyper-X-like architecture augmented with flexible-bandwidth photonic interconnections at large scales using a hierarchical intra/inter-POD photonic switching layout. We first formulate the problem of the connectivity graph and routing scheme optimization as a mixed-integer linear programming model. A two-phase heuristic algorithm and a joint optimization approach are devised to solve the problem with low time complexity. Then, we propose an ML-based end-to-end performance estimator design to assist the network control plane with intelligent decision making for bandwidth reconfiguration. Numerical simulations using traffic distribution profiles extracted from HPC applications traces as well as random traffic matrices verify the accuracy performance of the ML design estimator ( < <#comment/> 9 % <#comment/> error) and demonstrate up to 5 × <#comment/> throughput gain from the proposed approach compared with the baseline Hyper-X network using fixed all-to-all intra/inter-portable data center interconnects.
Chen, Xiaoliang (ORCID:0000000278056237)↗
DOE Energy Frontier Research Centers Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio)
New capabilities to predict, design and control the chemistries of carbon could answer a global imperative to transition from fossil-based to sustainable transportation fuels. While the use of inexpensive hydrocarbons has been an unparalleled achievement and enabler of economic prosperity for many nations, singular dependence upon crude oil has given rise to systemic vulnerabilities in climate, energy, economic, and national security. Lignocellulosic biomass, a renewable and carbon-neutral resource, has the potential to displace an estimated annual equivalent of three billion barrels of oil in the U.S. alone (National Research Council 2009, U. S. Department of Energy, 2011). However, biomass has only one-third the energy density of crude oil (Agrawal and Singh 2009, Richard 2010) and lacks petroleum’s versatility as a feedstock for fuels and chemicals. These limitations keep biomass conversion below the efficiency level needed for strategic impact while the scientific challenge of routing carbon from one molecular context to another remains unmet. In 2009, the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio) recognized the potential of chemical catalysis and fast pyrolysis to overcome such limitations by transforming the main components of biomass (cellulose, xylan, and lignin) from grasses and trees directly to liquid hydrocarbons and aromatic co-products. Enabled by the EFRC high-risk, high-reward approach to grand challenge science, C3Bio researchers have been key national players in disrupting the conventional paradigm of the cellulosic biorefinery into a new future of “no carbon left behind”—the full utilization of carbon from plant cell walls in energy-dense fuels (Fig. 1). We identified catalytic and fast-pyrolytic pathways that utilize cellulose, xylan and, most significantly, lignin. We developed catalytic processes that deoxygenate and transform monomers and isolated polymers into useful products and tested their use with intact biomass. We gained control of lignin synthesis within plants and initiated tailoring biomass to its end-use through the tools of plant molecular biology and genetic engineering. C3Bio breakthroughs have increased the energy density of biomass-derived substrates via catalytic and pyrolytic conversions into products such as benzoquinones, furfural and hydroxymethylfurfural, levoglucosan and levulinic acid, methoxypropylphenols and propylbenzene. Such advances in biomass conversion would not have been possible without simultaneous advances in analytical instrumentation and methodologies, and imaging technologies and applications. The legacy science developed by C3Bio enables design and control strategies for achieving a targeted product portfolio of fuel and chemical feedstocks from a diverse range of native and tailored biomass. Our research provides the knowledge base required for a bio-economy with product streams as diverse in functionality as those of the petrochemical industry. Coupling targeted computational modeling with experimentation, we achieved: (1) fundamental understanding of biopolymers and cell wall architecture assembly, (2) discovery of new chemistries that allow the development of highly selective pathways to fuels and desirable chemicals, and (3) an integrated systems-level understanding to control catalytic and pyrolytic pathways.
09 BIOMASS FUELS↗
Lighting in Senior Care Centers: Comparing Tunable LED Systems to Conventional Lighting Systems in Four Senior Care Centers
This study was initiated to contribute to evidence-based practices for tunable light-emitting diode (LED) lighting upgrades in the future. The report summarizes Pacific Northwest National Laboratory (PNNL) evaluations of lighting conditions in four senior care centers in Wisconsin including energy savings analysis and non-image forming (NIF) response metric calculations.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Collaborative Research: Louis Stokes Regional Center of Excellence: Louis Stokes Midwest Regional Center of Excellence (LSMRCE) for Broadening Participation in STEM
The Louis Stokes Midwest Regional Center of Excellence (LSMRCE) for Broadening Participation in STEM, a partnership of Chicago State University (CSU), aimed to increase the number of underrepresented minority (URM) students graduating with science, technology, engineering, and math (STEM) degrees and matriculating into graduate STEM programs. As a member institution of the LSMRCE, Fermi Research Alliance, LLC, (Fermilab) looked to support its continued mission of increasing URM student participation in its Summer Internship in Science and Technology (SIST) internship program. The program provided URMs with access to research skills development, mentoring and professionalization activities via paid, summer research internships at Fermilab. Students received instruction and mentoring while gaining exposure to a global laboratory workforce and community with diverse academic and professional expertise. In addition, students established professional relationships and networked with senior researchers, early career scientists, technical professionals, post-docs and other undergraduate interns to help forge collaboration, innovation and mentoring opportunities at Fermilab and LSMRCE partner institutions
99 GENERAL AND MISCELLANEOUS↗
One-center and Two-center Expansions of the Breit-pauli Hamiltonian
One and two center expansions for orbit-orbit, spin-spin, and spin-orbit Hamiltonians
QUANTUM MECHANICS↗
Regional dissemination center operation at the Technology Use Studies Center Quarterly status report, Jul. - Dec. 1968
Quarterly status report from NASA Technology Application Center at University of New Mexico
Shinnick, W. A.↗
The information analysis center concept as developed by the Radiation Shielding Information Center in its computer codes activities
Information analysis center concept and computer codes for calculating radiation transport, and shield designs
Anthony, C. M.↗
Three-dimensional determination of the center of the Watts datum relative to the lunar center of mass
The location of the origin of the Watts datum for the marginal zone of the moon is determined using results of 2770 photoelectric occultation observations obtained over an 18-yr period in combination with 1787 laser time-delay measurements carried out over a five-year period. The lunar ephemeris employed is an experimental one developed from a much shorter span of laser observations. The final solution is obtained by adopting LURE2 parameters and correcting 19 lunar orbital, solar orbital, and coordinate-system parameters. The offsets for the center of the Watts datum are found to be approximately +6.8 km for x1, -2.5 km for x2, and +0.06 km for x3 with respect to the lunar principal axes of inertia.
Mulholland, J. D.↗
Space Operations Center System Analysis: Requirements for a Space Operations Center, revision A
The system and program requirements for a space operations center as defined by systems analysis studies are presented as a guide for future study and systems definition. Topics covered include general requirements for safety, maintainability, and reliability, service and habitat modules, the health maintenance facility; logistics modules; the docking tunnel; and subsystem requirements (structures, electrical power, environmental control/life support; extravehicular activity; data management; communications and tracking; docking/berthing; flight control/propulsion; and crew support). Facilities for flight support, construction, satellite and mission servicing, and fluid storage are included as well as general purpose support equipment.
Woodcock, G. R.↗
Interface control document between the NASA Goddard Space Flight Center (GSFC) and Department of Interior EROS Data Center (EDC) for LANDSAT-D. Thematic mapper high resolution 241 mm film
The 241 mm photographic product produced by the Goddard Space Flight Center Data Management System for LANDSAT-D is described. Film type and format, image dimensions, frame ID, gray scale, resolution patterns, registration marks, etc. are addressed.
Source record↗
An Attached Payload Operations Center (APOC) at the Goddard Space Flight Center (GSFC), volume 1
A management overview of the Attached Payload Operations Center (APOC) functional requirements and design are presented. The rationale for developing the APOC concept and the assumptions utilized are presented. A summary of the concept complete with major functional areas and associated data flows is provided. The attributes of this concept are formalized and the necessary resources needed for its development and operation presented.
Source record↗
National space test centers - Lewis Research Center Facilities
The Lewis Research Center, NASA, presently has a number of test facilities that constitute a significant national space test resource. It is expected this capability will continue to find wide application in work involving this country's future in space. Testing from basic research to applied technology, to systems development, to ground support will be performed, supporting such activities as Space Station Freedom, the Space Exploration Initiative, Mission to Planet Earth, and many others. The major space test facilities at both Cleveland and Lewis' Plum Brook Station are described. Primary emphasis is on space propulsion facilities; other facilities of importance in space power and microgravity are also included.
Roskilly, Ronald R.↗
NASA Center update: Goddard Space Flight Center
The topics covered are presented in viewgraph form and include the following: spacecraft operations, life cycle testing an the Naval Surface Warfare Center (NSWC), and destructive physical analysis at COMSAT laboratories. The subtopics under spacecraft operations are the Solar Anomalous and Magnetospheric Particle Explorer (SAMPEX), the Extreme Ultraviolet Explorer (EUVE), the Upper Atmospheric Research Satellite (UARS), the Compton Gamma Ray Observatory (GRO), the Earth Radiation Budget Satellite (ERBS), and the Hubble Space Telescope (HST). The subtopics under the life cycle testing at NSWC are the following: advanced NiCd cells from Hughes Aircraft Company/Eagle Picher Industries; conventional NiCd cells from Gates Aerospace Batteries; conventional NiCd cells from General Electric; NiCd cells from SAFT; NiH2 celss from Eagle Picher Industries; and data as of 10/26/92.
Rao, Gopalakrishna M.↗
Implementing a Reliability Centered Maintenance Program at NASA's Kennedy Space Center
Maintenance practices have long focused on time based "preventive maintenance" techniques. Components were changed out and parts replaced based on how long they had been in place instead of what condition they were in. A reliability centered maintenance (RCM) program seeks to offer equal or greater reliability at decreased cost by insuring only applicable, effective maintenance is performed and by in large part replacing time based maintenance with condition based maintenance. A significant portion of this program involved introducing non-intrusive technologies, such as vibration analysis, oil analysis and I/R cameras, to an existing labor force and management team.
DIAGNOSTIC EQUIPMENT↗
Earth Science Data Archive and Access at the NASA/Goddard Space Flight Center Distributed Active Archive Center (DAAC)
The Goddard Distributed Active Archive Center (DAAC), as an integral part of the Earth Observing System Data and Information System (EOSDIS), is the official source of data for several important earth remote sensing missions. These include the Sea-viewing Wide-Field-of-view Sensor (SeaWiFS) launched in August 1997, the Tropical Rainfall Measuring Mission (TRMM) launched in November 1997, and the Moderate Resolution Imaging Spectroradiometer (MODIS) scheduled for launch in mid 1999 as part of the EOS AM-1 instrumentation package. The data generated from these missions supports a host of users in the hydrological, land biosphere and oceanographic research and applications communities. The volume and nature of the data present unique challenges to an Earth science data archive and distribution system such as the DAAC. The DAAC system receives, archives and distributes a large number of standard data products on a daily basis, including data files that have been reprocessed with updated calibration data or improved analytical algorithms. A World Wide Web interface is provided allowing interactive data selection and automatic data subscriptions as distribution options. The DAAC also creates customized and value-added data products, which allow additional user flexibility and reduced data volume. Another significant part of our overall mission is to provide ancillary data support services and archive support for worldwide field campaigns designed to validate the results from the various satellite-derived measurements. In addition to direct data services, accompanying documentation, WWW links to related resources, support for EOSDIS data formats, and informed response to inquiries are routinely provided to users. The current GDAAC WWW search and order system is being restructured to provide users with a simplified, hierarchical access to data. Data Browsers have been developed for several data sets to aid users in ordering data. These Browsers allow users to specify spatial, temporal, and other parameter criteria in searching for and previewing data.
Leptoukh, Gregory↗