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At least 703 records · Page 39

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DOE OSTI2013

CO Oxidation on supported single Pt atoms - Experimental and Ab Initio density functional studies of CO interaction with Pt atom on theta-alumina(010) surface

Although there are only a few known examples of supported single atoms, they are unique because they bridge the gap between homogenous and heterogeneous catalysis. The metal center is single supported atoms can be isoelectronic with their homogenous catalyst counterpart and may allow mechanistic pathways normally seen in homogenous catalysts. Here, we report CO oxidation activity of mono-disperse single Pt atoms supported on an inert substrate, -alumina (Al2O3), in the presence of stoichiometric oxygen. Since CO oxidation on single Pt atoms cannot occur via a conventional Langmuir-Hinshelwood scheme (L-H scheme) which requires at least one Pt-Pt bond, we have carried out a first principles density functional theoretical study of a proposed pathway which is a variation on the conventional L-H scheme and is inspired by organometallic chemistry of platinum. We find that a single supported Pt atom prefers to bond to O2 over CO. The CO then bonds with the oxygenated Pt atom and forms a carbonate which dissociates to liberate CO2, leaving an oxygen atom on Pt. A subsequent reaction with another CO molecule regenerates the single atom catalyst. An in-situ diffuse reflectance infrared study of CO adsorption on the catalyst s supported single atoms has been carried out to infer information on CO absorption modes and compare the observed spectra with calculated ones for intermediates in the proposed CO oxidation pathway. Our results clearly show that supported Pt single atoms are catalytically active and that this catalytic activity can occur without involving the substrate. Characterization by electron microscopy and X-ray absorption studies of the mono-disperse Pt/ -Al2O3, synthesized by solution methods, are also presented.

single atom catalysis↗

DOE OSTI2014

Method of forming supported doped palladium containing oxidation catalysts

A method of forming a supported oxidation catalyst includes providing a support comprising a metal oxide or a metal salt, and depositing first palladium compound particles and second precious metal group (PMG) metal particles on the support while in a liquid phase including at least one solvent to form mixed metal comprising particles on the support. The PMG metal is not palladium. The mixed metal particles on the support are separated from the liquid phase to provide the supported oxidation catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Structural cooling fluid tube for supporting a turbine component and supplying cooling fluid to transition section

A shaft cover support for a gas turbine engine is disclosed. The shaft cover support not only provides enhanced support to a shaft cover of the gas turbine engine, but also includes a cooling fluid chamber for passing fluids from a rotor air cooling supply conduit to an inner ring cooling manifold. Furthermore, the shaft cover support may include a cooling shield supply extending from the cooling fluid chamber between the radially outward inlet and the radially inward outlet on the radially extending region and in fluid communication with the cooling fluid chamber for providing cooling fluids to a transition section. The shaft cover support may also provide additional stiffness and reduce interference of the flow from the compressor. In addition, the shaft cover support accommodates a transition section extending between compressor and turbine sections of the gas turbine engine.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2018

Hydrothermal performance of catalyst supports

A high surface area catalyst with a mesoporous support structure and a thin conformal coating over the surface of the support structure. The high surface area catalyst support is adapted for carrying out a reaction in a reaction environment where the thin conformal coating protects the support structure within the reaction environment. In various embodiments, the support structure is a mesoporous silica catalytic support and the thin conformal coating comprises a layer of metal oxide resistant to the reaction environment which may be a hydrothermal environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Hydrothermal performance of catalyst supports

36 MATERIALS SCIENCE↗

DOE OSTI2017

Thermal Evaluation of Metal Oxides on Silica Supports

Atomic level engineering of nanoparticles (NPs) with ability to precisely tune its functional properties can help us realize many promising applications in catalytic science. Such a bottom-up approach would require fundamental level understanding of nucleation and subsequent chemical evolution of nanoparticles during synthesis process. In particular, transition metal based nanoparticles such as Cobalt (Co), Nickel (Ni), Iron (Fe), Paladium (Pd), and Platinum (Pt) can serve as catalysts for many important reactions such as syngas conversion, hydrogenation-dehydrogenation reactions and hydro-deoxygenation reactions. The porous SiO2 is widely used as support medium due to their chemical inertness under reducible and reactive chemical environments often encountered during catalytic process. Nevertheless, even chemically benign SiO2 can have interaction with catalyst particles under high temperatures and adversely affect catalytic activity due to the presence of reactive surface functional groups. Although the influence of the support on catalyst activity and the selectivity is widely studied with respect to the strong metal-support interaction (SMSI) and more recently on the electronic effect of metal-support interaction (EMSI), the choice of support and the catalyst preparation method are still mostly determined by the empirical optimization. For this study, we focus on local structural evolution of cobalt and nickel oxide nanoparticles and its interaction with SiO2 support using multi-modal spectroscopic approach involving X-ray absorption spectroscopy (XAS), nuclear magnetic resonance (NMR) and density functional theory (DFT) based computational methods.

Murugesan, Vijayakumar↗

DOE OSTI2019

Support structure for solar module

A solar module (2) comprising; (a) an active portion (4) and (b) a support portion (6), wherein the support portion (8) includes a plurality of reinforcement ribs (20) in a series of interconnected or partially interconnected patterns. The solar module (2) may include an intermediate portion (6C) acting as a structural interface between the active portion (4) and the support portion (6). The intermediate portion (6C) may include one or more gate locations (10, 12). The plurality of reinforcement ribs (20) may extend at an angle along the support portion (6) so that an effective modulus of the support portion (6) along a width direction is substantially equal to an effective modulus of the support portion (6) along a length direction.

Keenihan, James R.↗

DOE OSTI2019

Reactor module support structure

A support structure for attenuating seismic forces in one or more reactor modules housed in a reactor building includes a mounting structure that may be configured to securely connect the support structure to a floor of the reactor building. A receiving area may be sized to receive a lower portion of a reactor module, and the support structure may be configured to at least partially surround the lower portion of the reactor module within the receiving area. The support structure may further include a retention system located near a top surface of the support structure. The retention system may be configured to contact the reactor module during a seismic event, and an upper portion of the reactor module may extend above the retention system without contacting the support structure.

Liszkai, Tamas↗

DOE OSTI2020

OpenACC Profiling Support for Clang and LLVM using Clacc and TAU

Since its launch in 2010, OpenACC has evolved into one of the most widely used portable programming models for accelerators on HPC systems today. Clacc is a project funded by the US Exascale Computing Project (ECP) to bring OpenACC support for C and C++ to the popular Clang and LLVM compiler infrastructure. In this paper, we describe Clacc's support for the OpenACC Profiling Interface, a critical component of the OpenACC specification that standardizes an interface that profiling tools and libraries can depend upon across OpenACC implementations. As part of Clacc's general strategy to build OpenACC support upon OpenMP, we describe how Clacc builds OpenACC Profiling Interface support upon an extended version of OMPT. We then describe how a major profiling and tracing toolkit within ECP, the TAU Performance System, takes advantage of this support. We also describe TAU's selective instrumentation support for OpenACC. Finally, using Clacc and TAU, we present example visualizations for several SPEC ACCEL OpenACC benchmarks running on an IBM AC922 node, and we show that the associated performance overhead is negligible.

Coti, Camille↗

DOE OSTI2012

Technical Support Document for Version 3.9.1 of the COMcheck Software

This technical support document (TSD) is designed to explain the technical basis for the COMcheck software as originally developed based on the ANSI/ASHRAE/IES Standard 90.1-1989 (Standard 90.1-1989). Documentation for other national model codes and standards and specific state energy codes supported in COMcheck has been added to this report as appendices. These appendices are intended to provide technical documentation for features specific to the supported codes and for any changes made for state-specific codes that differ from the standard features that support compliance with the national model codes and standards. Beginning with COMcheck version 3.8.0, support for 90.1-1989, 90.1-1999, and the 1998 IECC and version 3.9.0 support for 2000 and 2001 IECC are no longer included, but those sections remain in this document for reference purposes.

Commercial buildings, HVAC, lighting, building env↗

DOE OSTI2015

Identification and prioritization of high risk deteriorating support infrastructure - 15475

Identification and prioritization for the re-capitalization of deteriorating waste processing and storage support infrastructure and information technology (IT) is essential for a safe, cost effective, and sustainable waste management program. Funding restraints have limited programs to performing only maintenance on aging infrastructure support systems whose operational costs, technological obsolescence, and reliability risks continue to grow without a disciplined and balanced re-capitalization program. Savannah River Site (SRS) comprises both Department of Energy Environmental Management and NNSA missions, and includes a lab, Savannah River National Laboratory. SRS has developed a crosscutting identification and prioritization tool and process that provides integration of all Site mission support infrastructure re-capitalization requirements and prioritizes into a single database that can be readily accessed for infrastructure investment decisions. This database, referred to as the SRS Critical Integrated Infrastructure Priority List (CIIPL) captures risk data that includes impacts toward safety, regulatory compliance, mission, and cost for inclusion in its prioritization process. Further, the CIIPL provides a status of each entered project's readiness for execution that includes funding source, reliability of current cost estimate, and an out year budget profile. The SRS CIIPL, created in 2009, was initially comprised of re-capitalization projects for the Site's common infrastructure (i.e. shared roads and utilities) that supported all Site missions and activities. As mission program funding became constrained, the value for a Site wide integrated prioritization tool became more apparent and the CIIPL grew to include all Site mission and tenant activities which included safeguards and security requirements. The SRS CIIPL has become a highly effective tool for achieving senior management situational awareness of the Site's most pressing support infrastructure and IT needs. The mission programs have used the CIIPL to prioritize and fund high risk projects within their own program budgets. This past year, the CIIPL was used as a budgeting and decision making tool to allocate funding for two common infrastructures high risk projects for the FY16 Site budget submission and has received laudatory comments from DOE headquarters review teams. The SRS CIIPL and its process can be a benefit to other waste management organizations by demonstrating a proven approach toward the integration of support infrastructure and IT re-capitalization requirements across diverse mission and tenant boundaries. The SRS CIIPL can provide senior management with an objective decision making tool that delivers a balanced evaluation of project requirements in terms of multiple risk criteria; safety, regulatory, mission, and cost impacts. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Results of Modeling and Simulation Support to Specia Nuclear Material Handling Facility Operations - 16053

Newport News Shipbuilding (NNS) is the sole designer and provider of nuclear powered aircraft carriers and one of only two companies in the United States to build nuclear powered submarines. As part of the upkeep of aircraft carriers, the ships return to NNS once in their lifetime for a complex overhaul and to be refueled. In support of overhaul operations NNS maintains a state of the art Special Nuclear Material (SNM) handling facility. Due to the complex nature of the operations that occur within this facility, during the design and initial operation of the building NNS developed a facility simulation model to provide decision support during the project planning and operational phases. This tool allows users to experiment with process times, process order, equipment utilization, personnel utilization and spatial utilization. By capturing the planned operations, time distributions for operations, equipment sizes and uses and personnel requirements, the tool accurately reflects the planned use of the facility. This realism allows the user to experiment with any aspect of the facility, in a controlled and cost effective space, and determine how changes or potential delays may impact overall facility operations. Thus the model allows for rapid exploration of multiple scenarios to determine likely outcomes, allowing a user to identify risks well ahead of their realization and explore mitigation strategies in a controlled space, to determine the ideal path forward. The tool was successful during the initial operation of the facility in helping to identify and mitigate risks related to the complex operations occurring during SNM handling. The tool is now in use to support planning for the next series of operations that will occur within the facility. The initial operations the model supported occurred during the deactivation of the USS Enterprise, and future operation will focus on the overhaul of Nimitz class aircraft carriers. The NNS planning team is currently using the tool to assess potential risks and challenges that are identified as potentially impacting the schedule and timelines for these overhaul processes. In addition, the NNS development team is working to add new operational steps to the model, capturing work that is occurring near the facility, but which directly impacts the facilities operational abilities. In conjuncture with the engineering planning division, the NNS development team has run over 20 complex scenarios through the tool. The team has provided output from these scenarios to both NNS personnel and government representatives. To date the model has successfully supported the identification of several feasible paths to incorporate new processes, dictated by the work to support a overhaul vs a deactivation. The model also provides a spatial arrangement component that allows users to experiment with different equipment placement within the facility. Due to the fidelity of the model, arranging equipment with the spatial component allows a user to set up the facility in an experimental layout and run the processes inside the facility to determine if the layout will be feasible, or if it would impact operational capabilities. Additionally, the spatial component allows for visual collaboration between stakeholders to ensure all operational personnel are aware of the current and planned layout, and that they do not locate equipment or work stations in locations that would interfere with facility operations. The spatial component, in combination with the simulation component, has resulted in several documented improvements in process. These include: the identification of additional equipment which could be stored outside the facility, without impacting operations, to increase space; confirmation of the ideal placement of a large water tank; and identification of several risks related to planned equipment storage area, allowing the team to develop new plans and avoid realizing the risk. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Supports with integrated sensors for nuclear reactor steam generators, and associated systems and methods

Supports with integrated sensors for nuclear reactor steam generators, and associated systems and methods, are disclosed. A representative method for forming a nuclear-powered steam generator includes forming an instrumented support, the instrumented support including a carrier portion and a retainer portion, with at least one of the carrier portion or the retainer portion being integrally formed with a sensor via an additive manufacturing process. The method can further include coupling the sensor to a communication link, supporting a helical steam conduit on the instrumented support, and installing the helical steam conduit and the instrumented support in a nuclear reactor. The helical steam conduit is positioned along a primary flow path, which is in turn positioned to circulate a heated primary flow in thermal communication with the helical steam conduit.

Welter, Kent↗

DOE OSTI2023

Calorimetric Energies and Chemical Potentials of Metal Atoms in Catalytic Nanoparticles on Oxide and Carbon Supports: Improved Size Dependencies and Adhesion Energies

The chemical potential of metal atoms, μM, in supported metal nanoparticles is an important descriptor related to both the catalytic activity and the stability of the nanoparticles. Here, we derive an expression relating μM to the radius of the particle’s contact area with the support and the adhesion energy at the metal/support interface (E adh ) that assumes the particles have the shape of spherical caps but of arbitrary contact angle with the support (θ c ) and includes an empirical correction for the increase in metal surface energy and adhesion energy with decreasing radius of curvature. We then show that, at any assumed contact angle, we can simultaneously fit previously reported measurements of both calorimetric μ M (from heats of metal vapor adsorption during nanoparticle growth by vapor deposition) versus metal coverage data and the He + low-energy ion scattering (LEIS) intensities for the metal and/or support versus metal coverage (using our recently developed spherical cap model for quantitative LEIS intensities), to determine the particle size versus coverage and E adh . Only one choice of contact angle gives a pair of values for contact angle and E adh , which is consistent with the Young–Dupré equation for the equilibrium shape of a spherical particle. At this equilibrium shape, we then applied this spherical cap model (SCM) to reanalyze microcalorimetric metal chemical potentials and LEIS signals versus coverage data for nine metal/support combinations that were previously analyzed by assuming that the particles had the shape of hemispherical caps, i.e., with a contact angle of 90°. We show that this revised approach gives close agreement with the calorimetric and LEIS data; the best-fit contact angles vary from 64 to 84°, correcting the earlier assumption of 90°. Furthermore, these results provide significant accuracy improvements in particle size versus coverage, metal chemical potential versus size and coverage, metal/support adhesion energies and contact angles for Cu, Ag and Au on CeO 2 (111), Ni on MgO(100), Ag on Fe 3 O 4 (111) and TiO 2 (100), and Ag, Ni and Pd on Ni-supported graphene. This revised approach is much more broadly applicable than the earlier hemispherical cap model (HCM).

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1998

Bioregenerative life support: not a picnic

If humans are to live permanently in space, regenerative life support systems are an enabling technology and must replace the picnic approach of taking all supplies required for each mission. These systems are classified by technologies as either physical/chemical or bioregenerative. Both of these system-types can recycle water, remove carbon dioxide, produce oxygen, and recover essential elements from waste products. Bioregenerative can also produce food, thus, making it essential if humans are to exist in space independent of earth. A solely bioregenerative life support system includes plants as a biomass production module and microbial organisms in bioreactors as a resource recovery module. In the Advanced Life Support Program, bioregenerative life support systems are being investigated through a research and technology development project which includes large scale testing as part of the Breadboard Project and human tests conducted in the soon to be constructed BioPlex facility. Research and technology development efforts are directed toward optimizing biomass productivity in controlled chambers by developing light weight, energy efficient, and automated systems; recycling liquid and solid wastes; baselining the operation of bioreactors; determining system microbial stability; assessing chemical contamination; and building models required for long term system operations. The program will include space flight studies in the near future to determine if these life support technologies will function in microgravity. When a bioregenerative system is finally incorporated into a mission, the conversion from a picnic and resupply mentality to permanent recycling and independence from earth will be complete.

NASA Center KSC↗

NASA NTRS2012

Methods and Costs to Achieve Ultra Reliable Life Support

A published Mars mission is used to explore the methods and costs to achieve ultra reliable life support. The Mars mission and its recycling life support design are described. The life support systems were made triply redundant, implying that each individual system will have fairly good reliability. Ultra reliable life support is needed for Mars and other long, distant missions. Current systems apparently have insufficient reliability. The life cycle cost of the Mars life support system is estimated. Reliability can be increased by improving the intrinsic system reliability, adding spare parts, or by providing technically diverse redundant systems. The costs of these approaches are estimated. Adding spares is least costly but may be defeated by common cause failures. Using two technically diverse systems is effective but doubles the life cycle cost. Achieving ultra reliability is worth its high cost because the penalty for failure is very high.

deep space life support↗

DOE OSTI2025

Fabrication and Scale-Up of Porous Polybenzimidazole (PBI) Supports for Gas Separation Composite Membranes

Industrial gas separation often uses thin film composite (TFC) membranes comprising a porous support overlaid with a single-/multi-layer gas-selective thin film. An optimal porous support should possess high surface porosity to minimize gas transport resistance and nano-sized pores to ease pore penetration occurring during the thin film coating process. Good chemical and thermal stabilities are essential to withstand the aggressive solvents and heat required for the thin film coating and curing. However, few porous membranes satisfy all these requirements. This study presents a scalable membrane formation method of making highly porous polybenzimidazole (PBI) supports via non-solvent induced phase separation. This presentation also details the scale-up fabrication of PBI supports using a custom roll-to-roll membrane casting machine.

gas separation↗

DOE OSTI2018

An Oxygen Vacancy-rich Semiconductor Supported Bifunctional Catalyst for Efficient and Stable Zinc-Air Battery

The highly oxidative operating condition of rechargeable zinc-air batteries causes significant carbon-support corrosion of bifunctional oxygen electrocatalysts. In this work, we propose a new strategy for the catalyst support design focusing on OV-rich, low-bandgap semiconductor. The OVs promote the electrical conductivity of the oxide support, and at the same time offer a strong metal-support interaction (SMSI), which enables the catalysts small metal size, high catalytic activity, and high stability. The strategy is demonstrated by successfully synthesizing ultrafine Co metal decorated three-dimensionally ordered macroporous titanium oxynitride (3DOM-Co@TiO x N y ). The 3DOM-Co@TiO x N y catalyst exhibits comparable activities for oxygen reduction and evolution reactions, but much higher cycling stability than noble-metals in alkaline conditions. The zinc-air battery using this catalyst delivers an excellent stability with less than 1% energy efficiency loss over 900 charge-discharge cycles at 20 mA cm -2 . The high stability is attributed to the strong SMSI between Co and 3DOM-TiO x N y which verified by density functional theory (DFT) calculations. These results shed light on using OV-rich semiconductors as a promising support to design efficient and durable non-precious electrocatalysts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗