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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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Modeling Oxygen Transport in High Surface Area Carbon Supports for Polymer-Electrolyte Fuel Cells
Here, an analytical model for resistance to oxygen transport in air electrodes containing carbon black supports with high surface area was developed by combining a Thiele modulus—effectiveness factor approach at the agglomerate scale (~150 nm) with nanoscale diffusional resistance in carbon micropores/pits (~5 nm). This paper extends an earlier model for transport resistance to platinum nanoparticles on low surface area carbon. Differences in transport resistances between catalyst layers with high and low surface area carbon blacks predicted by the model with reasonable geometric dimensions and physical properties are consistent with experimental observations.
Validation and Recalibration of the Solubility Models in Support of the Heater Test in Salt Formations
The US Department of Energy Office of Nuclear Energy is conducting a brine availability heater test to characterize the thermal, mechanical, hydrological and chemical response of salt at elevated temperatures. In the heater test, brines will be collected and analyzed for chemical compositions. In order to support the geochemical modeling of chemical evolutions of the brines during the heater test, we are recalibrating and validating the solubility models for the mineral constituents in salt formations up to 100°C, based on the solubility data in multiple component systems as well as simple systems from literature. In this work, we systematically compare the model-predicted values based on the various solubility models related to the constituents of salt formations, with the experimental data. As halite is the dominant constituent in salt formations, we first test the halite solubility model in the Na-Mg-Cl dominated brines. We find the existing halite solubility model systematically over-predict the solubility of halite. We recalibrate the halite model, which can reproduce halite solubilities in Na-Mg-Cl dominated brines well. As gypsum/anhydrite in salt formations controls the sulfate concentrations in associated brines, we test the gypsum solubility model in NaCl solutions up to 5.87 mol•kg –1 from 25 ° C to 50 ° C. The testing shows that the current gypsum solubility model reproduces the experimental data well when NaCl concentrations are less than 1 mol•kg –1 . However, at NaCl concentrations higher than 1, the model systematically overpredicts the solubility of gypsum. In the Na + —Cl – —SO 4 2– —CO 3 2– system, the validation tests up to 100 ° C demonstrate that the model excellently reproduces the experimental data for the solution compositions equilibrated with one single phase such as halite (NaCl) or thenardite (Na 2 SO 4 ), with deviations equal to, or less than, 1.5 %. The model is much less ideal in reproducing the compositions in equilibrium with the assemblages of halite + thenardite, and of halite + thermonatrite (Na 2 CO 3 •H 2 O), with deviations up to 31 %. The high deviations from the experimental data for the multiple assemblages in this system at elevated temperatures may be attributed to the facts that the database has the Pitzer interaction parameters for Cl – —CO 3 2– and SO 4 2– —CO 3 2– only at 25 ° C. Finally, in the Na + —Ca 2+ —SO 4 2– —HCO 3 – system, the validation tests also demonstrate that the model reproduces the equilibrium compositions for one single phase such as gypsum better than the assemblages of more than one phase.
Partial Support for the Federal Committee for Meteorological Services and Supporting Research
DOE E-link Report Number DOE/ER62778 1999-2012 Please see attached Final Technical Report (size too large to post here). Annual Products Provided to DOE: Federal Plan for Meteorological Services and Supporting Research; National Hurricane Operations Plan; Interdepartmental Hurricane Conference Summary Report. All reports and publications can be found on the OFCM website, www.ofcm.noaa.gov.
Partial Support for the Federal Committee for Meteorological Services and Supporting Research (Final Report)
The OFCM sponsored a session within the 16th annual George Mason University Atmospheric Transport and Diffusion Modeling Conference. The theme of the session was Identifying the Research Needs and Current/Planned Research Projects within the Operational and Research Planetary Boundary Layer Interagency Community. Subject matter experts (SME) from the NWS, U.S. Department of Energy, and the National Center for Atmospheric Research participated in the session’s panel discussion. The OFCM-sponsored special session SMEs identified the following areas as operational and research priorities/requirements: Transitioning from planetary boundary layer (PBL) schemes to large-scale eddy simulation; Separating out waves from turbulence and understanding when and how to simulate internal waves degenerating into turbulence; Treating stable boundary layers and unstable boundary layers as separate entities; Increasing the capacity to observe heterogenous boundary layers and to use these observations to improve data assimilation; Dealing with terrain (in all its variations) in a more appropriate way; Conducting a coordinated, joint field program to address the priorities/requirements listed above. The Federal Coordinator brought the results of the successful forum to the attention of the broader interagency PBL community with the goal of eliciting from that community how best to proceed in meeting the operational and research requirements articulated at the special session. On December 16, 2011, the Federal Coordinator also convened a meeting of the Interdepartmental Committee for Meteorological Services and Supporting Research (ICMSSR), a committee with members from 12 federal agencies, including DOE. One of the topics addressed at the meeting was the status of coupling ATD models and the impact across the federal meteorological community. A status report was provided to all ICMSSR members.
Northstar Accelerator Based Mo99 Production Facility Design Support (LANL FY20 Quarters 1 and 2 Facility Design Support Report)
Facility design support this quarter centered on transfer of the target insertion and design details to MBraun and Springs, the companies under contract via Northstar to do the hot cell, target insertion and the local target shielding. A significant number of changes have been introduced by these vendors which have been reviewed and critiqued. In addition, the company contracted to produce the Mo100 disks announced that the tolerance on the thickness of 0.5 mm would be ±25%. An alternative design of the target holder was proposed. Bulk shielding and local target shielding design work has continued also and will be reported.
Workshop on Establishing and Operating a National Nuclear Security Support Centre Hypothetical Scenario: "Republic of Centralia Nuclear Security Support Centre Feasibility Report"
[This is part of a hypothetical, scenario-based exercise for workshop participants, based on the fictitious country "Centralia."] This report serves as official record of the coordinated process completed by competent authorities and other organizations with nuclear security responsibilities in the Republic of Centralia to determine the feasibility of establishing and operating a national nuclear security support centre (NSSC). The report summarizes all sustainability needs and available resources identified during the feasibility determination process, including consideration of possible NSSC institutional models, in line with the systematic approach recommended by the International Atomic Energy Agency (IAEA). Centralia Nuclear Regulatory Authority (CNRA), as the designated lead organization for coordinating the feasibility determination process, has prepared this report in collaboration with members of the Committee on Nuclear Security (CNS) and based on input gathered among relevant national stakeholders. The report has been presented to the National Security Advisor (NSA), for final review and decision-making as to whether Centralia should proceed with establishing an NSSC.
TEAMER Technical Support of Ramboll's for Numerical Modeling of WECs to Support OES Task 10: Cooperative Research and Development (Final Report)
National Technology & Engineering Solutions of Sandia, LLC (NTESS) in collaboration with the National Renewable Energy Laboratory (NREL), and with guidance from Ramboll, will perform fluid dynamics simulations to support of The Ocean Energy Systems (OES) Energy Technology Collaboration Program Task 10 Wave Energy Converters (WEC) Modelling Verification and Validation effort. Specific numerical simulations include the fixed device wave impingement studies to benchmark the performance of simulation techniques against physical testing results.
Partial Support for the Federal Committee for Meteorological Services and Supporting Research
An interagency collaboration initiated between Navy, Air Force and NOAA and expanded to DOE, NASA, and NSF in 2012, for coordination of research to operations of a National earth system analysis and prediction capability. The goal of ESPC is to meet broad but specific agency requirements for an earth system analysis and prediction framework to support one-day to decadal global prediction at appropriate horizontal and vertical resolution; including the atmosphere, ocean, land, cryosphere, and space.
Recent Advances on Computational Modeling of Supported Single-Atom and Cluster Catalysts: Characterization, Catalyst–Support Interaction, and Active Site Heterogeneity
To satisfy the need for catalyst materials with high activity, selectivity, and stability for energy conversion, material design and discovery guided by theoretical insights are a necessity. In the past decades, the rise in theoretical investigations into the properties of catalyst materials, reaction mechanisms, and catalyst design principles has shed light on the catalysis field. Quantitative structure–activity relationships have been developed through incorporating spectroscopic simulations, electronic structure calculations, and reaction mechanistic studies. Here, in this review, we report the state-of-the-art computational approaches to catalyst materials characterization for supported single-atom and cluster catalysts utilizing spectroscopic simulations, i.e., XANES simulation, and material properties investigation via electronic-structure calculations. Furthermore, approaches regarding reaction mechanisms, focusing on active site heterogeneity, are also discussed.
A complete dosimetry experimental program in support to the core characterization and to the power calibration of the CABRI reactor. A complete dosimetry experimental program in support of the core characterization and of the power calibration of the CABRI reactor
CABRI is an experimental pulse reactor operated by CEA at the Cadarache research center. Since 1978 the experimental programs have aimed at studying the fuel behavior under Reactivity Initiated Accident (RIA) conditions. Since 2003, it has been refurbished in order to be able to provide RIA and LOCA (Loss Of Coolant Accident) experiments in prototypical PWR conditions (155 bar, 300 deg. C). This project is part of a broader scope including an overall facility refurbishment and a safety review. The global modification is conducted by the CEA project team. It is funded by IRSN, which is conducting the CIP experimental program, in the framework of the OECD/NEA project CIP. It is financed in the framework of an international collaboration. During the reactor restart, commissioning tests are realized for all equipment, systems and circuits of the reactor. In particular neutronics and power commissioning tests will be performed respectively in 2015 and 2016. This paper focuses on the design of a complete and original dosimetry program that was built in support to the CABRI core characterization and to the power calibration. Each one of the above experimental goals will be fully described, as well as the target uncertainties and the forecasted experimental techniques and data treatment. (authors)
Formation of Supported Graphene Oxide: Evidence for Enolate Species
Graphene oxides are promising materials for novel electronic devices or anchoring of the active sites for catalytic applications. Here we focus on understanding the oxygen binding on different regions of graphene (Gr) on Ru(0001). Differences in the Gr/Ru lattices result in the superstructure, which offers an array of distinct adsorption sites. We employ scanning tunneling microscopy and density functional theory to map out the chemical identity and stability of prepared oxygen functionalities in different Gr regions. We demonstrate that in the regions that are close to the metal substrate, the terminally-bonded enolate groups are strongly preferred over bridge-bonded epoxy configurations. No oxygen species are observed on the graphene regions that are far from the underlying Ru, indicating their low relative stability. This study provides a clear fundamental basis for understanding the structural and electronic factors that affect the stability of enolate and epoxy species as a function of Gr/Ru interactions.
Experimental verification of an energy consumption signal tool for operational decision support in an office building
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Single-Atom Catalysts Supported by Crystalline Porous Materials: Views from the Inside
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Operando X-ray Absorption Spectroscopy Studies of Sintering for Supported Copper Catalysts during Liquid-phase Reaction
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A Multifunctional Pincer Ligand Supports Unsaturated Cobalt: Five Functionalities in One Pincer
Abstract not provided