Road Mapping of Collaborative Opportunities Involving Molecular Simulation of Shales
No abstract provided.
Greathouse, Jeffery↗
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Results for “collaborative”
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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Collaborative Project: An Integrated Parameterization of Boundary Layer and Convective Mixing: The Eddy-Diffusivity/Mass-Flux (EDMF) Approach
The key goal of this project was to reduce cloud modeling deficiencies and biases by developing and implementing a new unified boundary layer and convection parameterization based on the multi-plume Eddy-Diffusivity/Mass-Flux (EDMF) approach. This is a turbulence and convection parameterization that can be considered fully unified, in the sense that it is able to represent convective processes from boundary layer convection to deep moist convection with one single parameterization. This project will ultimately lead to more accurate climate predictions, which have a significant societal impact. In general, turbulence and convection in the atmosphere are at the core of key climate prediction problems. For example: i) to reduce uncertainties in climate projections, it is essential to improve predictions of cloud feedbacks (how clouds respond to, and influence, climate change), which are controlled by the interactions between a turbulent flow with water phase transitions and radiation; (ii) to improve extreme weather prediction under climate change, it is essential to improve our understanding of how moist convection responds to a warmer world. A fully unified boundary layer and convection parameterization, such as EDMF, will help better represent and predict boundary layer, cloud and convection processes in the atmosphere during present and future climate. The following are the specific tasks that were completed and addressed the project’s objectives: i) Implementation and evaluation of the multi-plume EDMF parameterization into the Single Column Model (SCM) version of CESM; ii) Development of a fully unified multi-plume (shallow to deep convection) EDMF parameterization – that is also scale-aware; iii) Implementation and evaluation of the moist multi-plume EDMF scheme in the global version of WRF; iv) Extension and evaluation of the LES model to deep moist convection regimes; v) Implementation of EDMF in the SCM version of the LBL dynamical core.
54 ENVIRONMENTAL SCIENCES↗
Collaborative Research: Experimental and Theoretical Study of the Plasma Physics of Antihydrogen Generation and Trapping. Final Technical Report
The accomplishments at UNT that resulted from the DOE award are associated with the development of new knowledge reported in scientific publications. The new knowledge represents an improved understanding of various phenomena and scientific innovations, which include the following: artificially structured boundary for producing a spatially, periodic field; space-charge based plasma confinement; magnetic plasma expulsion; magnetobound positronium and protonium; quasibound antihydrogen; and, aperture-based antihydrogen gravity experiment. Other accomplishments at UNT that resulted from the DOE award are associated with research training provided to UNT students. All of the people who worked on the project at UNT were students, except for the UNT PI and one other UNT faculty member. The project has provided training opportunities for students who enrolled in courses such as Senior Thesis, Master’s Thesis, and Doctoral Dissertation. Such courses can apply towards a degree. The project has provided financial support for students who served as research assistants. The project has also provided opportunities for research to members of underrepresented groups. The work carried out by students as part of the research training they received was supervised by the PI to assure professional quality, and the team reported the research results in peer-reviewed journals and at technical conferences.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Collaboration on Radiation Driven Chemistry and Accelerator Operations
The Notre Dame Radiation Laboratory (NDRL) will contribute subject matter expertise to increase the Fermilab Illinois Accelerator Research (IARC) team’s knowledge of radiation chemistry processes. NDRL will do this by offering guidance on what analytical equipment to use to measure the effects of electron beam treatment during and post treatment. NDRL will also offer guidance that will help further develop IARC applications. The application areas are not limited to, but may include chemistries in the energy generation, industrial and environmental sectors. Fermi National Accelerator Laboratory’s IARC team will contribute subject matter expertise on accelerator operations to help NDRL optimize operation of their Titan-Beta accelerator. The objective of NDRL is to optimize accelerator output, as well as the beam transport and focusing from the accelerator to several experimental beam ports. NDRL also wants to install and optimize a new subharmonic pre-buncher to be able to deliver sub-nanosecond timescale doses for the study of reaction kinetics decoupled from molecular diffusion.
43 PARTICLE ACCELERATORS↗
Collaborative Research On Ecophysiological Controls on Amazonian Precipitation Seasonality And Variability
We developed and deployed a robust and accurate instrumentation package for measurement of solar induced chlorophyll fluorescence (SIF) from above a plant canopy. The sensor collects light from identical up and down facing hemispheric collectors. A fiber optic transmits the collected light (selected by a rotatable prism) to spectrometers located at the base of the tower. Spectra of the down welling and upwelling light were collected alternatively and stored for later analysis. SIF was retrieved by a spectral unmixing approach using high resolution spectra in the 730-760 nm band. Most other ground-based sensors base their analysis on O 2 -alpha band (760-780 nm) for SIF retrieval. We found that the former gave identical results when the atmosphere was clear, but the former was more stable in the cloudy conditions that often prevailed in the Amazon. The mechanical design and software developed for the system are available on request. The sensor was mounted near the top of an 80 m tower at K34 near Manaus in the Brazilian Amazon Forest. The sensor system proved weather-tight and functioned flawlessly over the time of deployment. Our experiment was cut short at 6 months by failure of air conditioning infrastructure at the tower. We found that SIF emitted by canopy was remarkably stable when scaled by the downwelling photosynthetically active radiation or the upwelling near infrared light. We detected a 3.4% increase in SIF over the course of the dry season. This finding is consistent with the observation that several trees in the field of view flushed new leaves in the dry season. We saw no evidence of drought stress or photo damage of the forest canopy during our study.
54 ENVIRONMENTAL SCIENCES↗
Collaborative Research: The evolution of magnetic skeletons during 3D magnetic reconnection. Final Technical Report
The goals of this project were to investigate magnetic field evolution during 3D magnetic reconnection; begin development of an open source Python package for plasma research and education; advise students on research projects related to magnetic reconnection; and organize a conference session on diversity, equity, and inclusion in plasma physics. The principal investigator advanced an analytical theory to describe the ideal and non-ideal motion of the magnetic field lines that connect two magnetic null points; led development of the PlasmaPy package through version 0.2.0; directly advised two students; and is co-organizing a town hall on diversity, equity, and inclusion at a major plasma physics conference.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
LLNL-Stanford collaboration (subcontract B612106) (Final Report)
Chlamydomonas reinhardtii CC-1690 wild type mt+ [Sager 21 gr] and the bacterial strain P2b were obtained from Oana Marcu (NASA Ames Research Center/SETI Institute, USA). Axenic C. reinhardtii stock cultures were cultivated on Tris-minimal medium agar plates (Gorman and Levine, 1965) containing 15 g/L agar (Research Products International Corp, USA). Algal cultures were cultivated at 25°C and light intensities between 80-100 µmol photons m -2 s -1 with a light:dark cycle of 16:8 hours in either a New Brunswick Scientific Excella E24 incubator shaker (Eppendorf, USA), equipped with the AIBC High Power ChloroBa120 LED Grow Light (AIB LED, USA) or in a SANYO Versatile Environmental Test Chamber MLR-351 (SANYO Electric Co., Ltd., Japan). Liquid cultures were agitated in the New Brunswick incubator shaker at 150 rpm or in the SANYO Test Chamber by using the VWR 3500 orbital shaker at speed level 5 (VWR, USA). Strain P2b stock cultures were grown on agar plates containing Luria Broth medium (Miller 1972) and 15g/L agar at 30°C for 3 days and stored at 4°C.
09 BIOMASS FUELS↗
Decentralized Signal Processing and Distributed Control of Collaborative Autonomous Networks (17-ERD-101 LDRD Final Report)
Intelligent autonomous sensor networks, often comprised of large numbers of sensors, must be capable of jointly exploiting data collected at each agent in the network, and using that data to optimize their future actions towards multiple mission objectives. Centralized signal processing and optimization solutions process all data and determine all future actions at a single agent, and the resulting information and commands are disseminated back to the network. The communications bandwidth this requires and the single point of failure the central agent represents often make these solutions untenable for national security applications. In this project, several fundamental algorithms for solving both the decentralized signal processing and network optimization were developed, as well as simulation software to validate the results of these algorithms at scale. Specifically, novel algorithms for Bayesian decentralized estimation and decentralized detection and optimization based on the alternating direction method of multipliers (ADMM) were developed for autonomous sensor networks and published in the literature. The first large scale simulation of autonomous sensor networks (1000 agents) was conducted on this project, validating the performance of the developed algorithms. These algorithms and simulation tools are critical components of any decentralized autonomous network and have current and future national security applications, including distributed sensor networks for detection, estimation, and tracking problems, and large decentralized cyber-physical infrastructure such as the power grid.
42 ENGINEERING↗
Collaboration with NSTX in Calculations of Radiofrequency and Neutral Beam Heating and Current Drive
The overall objective of this project was to advance the understanding of heating and current drive necessary for toroidal magnetic confinement fusion energy reactors, and to provide accurate models for these sources to aid in understanding magneto-hydrodynamic, transport and boundary physics issues. Increased understanding is provided by computer simulation using the underlying physics laws, and will lead to greater reliability and increased efficiency of a power producing fusion reactor. The proposed work entailed applications of existing CompX Fokker-Planck, ray tracing, full-wave microwave, and particle diffusion calculator codes to the National Spherical Torus Experiment at Princeton Plasma Physics Laboratory. Special features of NSTX include that large ion orbits are emphasized in its geometry and thus offer a major opportunity within fusion research for focused exploration of their ubiquitous effects, including comparison with simulation codes. The CompX CQL3D Fokker-Planck code was be further adapted to the finite-orbit-width physics. Comparison with experiment ensured that the computer codes have sufficient accuracy to accurately model the experiments. Nonthermal distributions of energetic ions are produced in experiments-- and modeled with the codes-- exhibiting the signatures of auxiliary heating, transport, and radiation processes within the plasma. Using physics-based modeling, in conjunction with experimental data, nonthermal distributions can provide keys to validation and quantification of auxiliary heating physics. Nonthermal distributions also hold particular information on radial transport processes, not obscured by the smoothing Maxwellization effects of Coulomb collisions. Generally, radial transport is not well understood but is a key to efficient fusion energy production. By comparison with Fokker-Planck modeling, the velocity dependence of radial transport coefficients becomes experimentally accessible, particularly in cases of well-modeled sources such as neutral beams, fast wave power, or the toroidal electric field. It is clear from modeling of fast-wave interactions with ions that finite-orbit-width effects play a significant role. For example, a different set of ions is computed to intersect a given cyclotron resonance depending on whether or not radial orbit drifts are taken into account. Also, radial transport, associated bootstrap current, and alpha channeling depend on radial drifts. Ion cyclotron heating above the first harmonic interacts preferentially with higher velocity ions, giving large radial drifts. The CQL3D Fokker-Planck code, maintained by the proposers, is a physics based model used extensively within the US fusion community to compare with and interpret experimental observations. At the beginning of this grant, bounce-averages of the rf quasilinear and other operators have been performed neglecting the radial drifts which give finite orbit widths to the particle orbits. The proposed work included a major upgrade to CQL3D to include finite-orbit-width effects be accounted for by performing the bounce-averages of rf and neutral beam fast ions along guiding center orbits. This CQL3D enhancement provided microwave and neutral beam contributions to neoclassical radial transport coefficients for nonthermal distributions, and substantially increased the comprehensiveness of the ion model. Additional work validated Fokker-Planck and ray tracing modeling of neutral beam and high harmonic fast wave absorption and current drive against the NSTX experiment, as had been very successful for electron cyclotron current drive in the DIII-D tokamak at General Atomics and lower hybrid waves on C-Mod at MIT. The validation work was in conjunction with staff and graduate students at Princeton Plasma Physics Laboratory. This DOE grant supported fusion energy research, a potential long-term solution to the world's energy needs. The research grant under consideration, DE-SC0006614, provided research support at the 0.3 Full-Time-Equivalent level for application of computer models to aid in understanding and projecting efficacy of heating and current drive sources in the National Spherical Torus Experiment, a tokamak variant, at the Princeton Plasma Physics Laboratory. The NSTX experiment explores the physics of very tight aspect ratio, almost spherical tokamaks, aiming at producing steady-state fusion plasmas. The current drive is an integral part of the steady-state concept, maintaining the magnetic geometry in the steady-state tokamak.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Collaborative Research: Natural Organic Matter and Microbial Controls on Mobilization/Immobilization of I and Pu in Soils and Waters Affected by Radionuclide Releases in USA and Japan
In this project, the relationship between natural organic matter (NOM) and two radioactive elements that are relevant to nuclear waste disposal were studied: Plutonium (Pu) and Iodine. The human and environmental risks associated with Pu stem mainly from the very long half-lives of several of its isotopes ( 238 Pu, 88 yr; 239 Pu, 24,100 yr; 240 Pu, 6560 yr) and its radiotoxicity. Understanding Pu biogeochemical behavior in both near-field (>10-11M) and far-field scales (<10-11M) is imperative to the development of approaches for reprocessing Pu, remediation of Pu contamination and accurate assessment of risks posed by disposal practices for Pu-bearing wastes. The environmental mobility of Pu can be affected by redox potential, pH, adsorption, precipitation, complexation, colloid formation, and microbial activity, of which the first characteristic has the most profound influence. Numerous studies have shown high affinity of Pu towards NOM, as well as to mineral phases. NOM is ubiquitous in the environment, e.g., both fulvic and humic acids are able to reduce Pu(V,VI) to Pu(IV) and the redox potential of NOM is positively related to the abundance of phenolic/acidic OH groups. NOM can either facilitate or limit actinide migration, depending on specific biogeochemical conditions including pH, mineral and organic matter characteristics, etc. The other radionuclide of interest is radioiodine ( 129 I). 129I is a major by-product of nuclear fission and of serious concern to the Department of Energy (DOE) as it is among the top risk drivers at existing and potential radiowaste-contaminated sites. The risk of 129 I stems largely from its high bioconcentration factor (90% of the body’s iodine is accumulated in the thyroid), a high inventory at source terms, a very long-half life (16M years), and rapid mobility in the subsurface environment. As a consequence, 129 I has the lowest drinking water standard (1 pCi/L) among all radionuclides in the Federal Register. With a novel and sensitive gas chromatography-mass spectrometry (GC-MS) method developed in our lab, it is possible to quickly and simultaneously determine the distribution of 129 I and stable 127 I forms in environments, as low as 2 pCi/L for 129 I. This method was subsequently validated using accelerator mass spectroscopy, AMS. IO 3 - and organo-I were determined as major species in the groundwater of SRS and the Hanford Site, contrary to thermodynamic predictions that I- should be the dominant species at these sites. Mobility of 129 I was also demonstrated to depend greatly on the I species and its concentration, sediment pH, and redox state, with times to achieve equilibrium taking up to 12 weeks. Along the groundwater pathway in the F-Area of SRS, 129 I- supplied from the seepage basins was transformed to 129 IO 3 - and organo- 129 I with increasing iodine sediment sorption, causing the lower total 127 I and 129 I concentrations along the gradient transect of the waste plume. By contrast, groundwater 129 I concentrations in the wetlands (as high as 1617.3 pCi/L) were greatly elevated with respect to the source term (159.3 pCi/L). While the NOM promoted the uptake of 129 I to the wetland sediment, it also promoted the formation of soluble organic fraction. A small fraction of NOM that is bound to iodine can behave as a mobile organo-I source. Iodide was enzymatically incorporated into NOM, whereas both iodide and iodate were abiotically bound to NOM, under certain conditions. Iodate removal from the mobile aqueous phase can also occur through incorporation into carbonate (e.g., at the Hanford Site, USA). Thus immobilization and re-mobilization of iodine species were influenced by pH, Eh and the presence of NOM and metal oxides, which adds to the complexity of site remediation action. A ground-breaking result was to elucidate the products (i.e. organo-iodine moieties formed via enzymatic and non-enzymatic processes) at the molecular level by nuclear magnetic resonance (NMR) and electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS). We found that iodine-NOM interactions may be influenced by NOM hydrophobic aliphatic moieties. From the perspective of ESI-FTICRMS, organo-iodine formulas were ascribed to the groups of unsaturated hydrocarbons, lignins and proteins. Iodate is likely abiotically reduced to reactive iodine species by lignin- and tannin-like compounds or carboxylic-rich alicyclic molecules (CRAM). We also investigated microbial mechanisms in iodine incorporation into NOM. We established that soil bacteria isolated from F-Area of SRS did not accumulate significant amounts of I- (0.2-2%). Intracellular uptake of I- decreases with increasing pH when pH ranged from 4 to 6. In contrast, 44 out of 84 strains isolated from the F-Area of SRS can transform I- to IO 3 - and organo-iodine. In some cases, oxidation was facilitated in the presence of H 2 O 2 . Microbes can also excrete organic acids that enhance I- oxidation by lowering the ambient pH and reacting with H 2 O 2 to form peroxy carboxylic acids. At lower pH values (≤5), H 2 O 2 hydrolysis was the driving force for iodide-oxidation; whereas, at pH ≥ 6, spontaneous decomposition of peroxy carboxylic acids, originating from H 2 O 2 and organic acids were the primary cause of iodide oxidation. Lastly, it was determined that microbial processes involved in Mn (II) are capable of directly oxidizing I- via enzymatic catalysis (i.e., multicopper oxidases), or indirectly through the formation of reactive oxygen species (ROS) and/or biogenic manganese oxides. ROS-mediated oxidation of I- was found to predominate at pH >5, whereas the enzymatic and Mn oxide pathways were more active at pH < 5. Together, this project has resulted in 9 publications in high-impact journals, and the training of 1 Ph.D and 4 undergraduate students.
54 ENVIRONMENTAL SCIENCES↗
San Diego Tribal Energy Collaborative [Slides]
The project involves the installation and activation of 42 roof-top or ground mount solar photovoltaic systems. The system will use a combination of roof-top photovoltaic panels and ground-mounted panels that will be installed on 40 tribal homes and 2 tribal buildings throughout the three participating reservations. The scope of work includes site preparation, equipment installation, system testing, and inspection by a third-party inspector, system activation, troubleshooting, and final activation. It also includes any electrical system upgrades, which are anticipated to accommodate the new PV system. The system will displace at least 50% of the combined total of electricity needed by the participating structures. Implementing these systems will also provide hands-on solar installation training to at least 20 Tribal community volunteers and job trainees.
14 SOLAR ENERGY↗
Option 1: Qubits in Gate-Defined Silicon Quantum Dots UW/Delft/Harvard/SNL Collaboration [Slides]
Abstract not provided.
97 MATHEMATICS AND COMPUTING↗
Production Processing and Workflow Management Software Evaluation in the DUNE Collaboration [Slides]
Outline: (1) Overview of DUNE and ProtoDUNE, (2) Production Group responsibilities and infrastructure, and (3) Current and future workflow management options.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Detonator Production Overview - Supply Chain Collaboration [Slides]
The outline for this presentation includes the history, World War II legacy, and current mission of Los Alamos National Laboratory; detonator manufacturing in the Nuclear Security Enterprise; manufacturing processes; and expanding the supply chain.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
Collaborative Research: The Evolution of Magnetic Skeletons During 3D Reconnection. Final report
We investigated how the plasmoid instability affects the evolution of topological features of a magnetic field and the process of magnetic reconnection with three sub-projects. (i) We extensively studied the criterion for plasmoid-mediated current sheet disruption and the onset of fast reconnection. Scaling relations with respect to plasma parameters have been established, using both direct numerical simulations and analytic theories, for the disruption time, the current sheet width, the instability linear growth rate, and the dominant mode wavenumber. (ii) We applied the theories of plasmoid-mediated current sheet disruption to magnetohydrodynamic turbulence and predicted a steepening of the turbulence energy spectrum. This steepening has been confirmed by direct numerical simulations. (iii) We performed numerical simulations of ultraviolet burst events in the solar atmosphere with a spine-dome magnetic topology. The plasmoid instability leads to unsteady reconnection, which is consistent with solar observations.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
ZAPP20a shots z3459 z3460 z3461 and z3462. Ride-along Z data on LOS 330 for UNR university collaborators [Slides]
Abstract not provided.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2019 Final Report)
R2R processing is used to manufacture a wide range of products for various applications which span many industrial business sectors. The overall R2R methodology has been in use for decades and this continuous technique traditionally involves deposition of material(s) onto moving webs, carriers or other continuous belt-fed or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Established methods that typify R2R include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier and membrane materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multilayer technologies have the potential to be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, a means must be available to enable manufacture of these products in a cost-competitive manner that is affordable. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches. However, more early-stage research is needed to solve the challenge of linking the materials (particles, polymers, solvents, additives) used in ink and slurry formulations, though the ink processing, coating and drying processes, to the ultimate performance of the final R2R product, especially for a process that uses multiple layers of deposition to achieve the end product.
42 ENGINEERING↗
LANL & UCLA Publication Collaboration, 2009-2018 [Slides]
Total co-authored publications are 504, up 4.9% for the period of 2009-2018.
99 GENERAL AND MISCELLANEOUS↗