Hydrogen Storage in Metal-Organic Frameworks (open access)

Hydrogen Storage in Metal-Organic Frameworks

Conventional storage of large amounts of hydrogen in its molecular form is difficult and expensive because it requires employing either extremely high pressure gas or very low temperature liquid. Because of the importance of hydrogen as a fuel, the DOE has set system targets for hydrogen storage of gravimetric (5.5 wt%) and volumetric (40 g L-1) densities to be achieved by 2015. Given that these are system goals, a practical material will need to have higher capacity when the weight of the tank and associated cooling or regeneration system is considered. The size and weight of these components will vary substantially depending on whether the material operates by a chemisorption or physisorption mechanism. In the latter case, metal-organic frameworks (MOFs) have recently been identified as promising adsorbents for hydrogen storage, although little data is available for their sorption behavior. This grant was focused on the study of MOFs with these specific objectives. (1) To examine the effects of functionalization, catenation, and variation of the metal oxide and organic linkers on the low-pressure hydrogen adsorption properties of MOFs. (2) To develop a strategy for producing MOFs with high surface area and porosity to reduce the dead space and increase the hydrogen …
Date: April 26, 2012
Creator: Yaghi, Omar M.
System: The UNT Digital Library
Washoe Wisk'e'em Project (open access)

Washoe Wisk'e'em Project

The Washoe Tribe Wiskem Project (Project) was a Congressionally Directed Project identified for funding in the Energy and Water Development and Related Agencies Appropriations Act, 2010. The Project focused on installing up to four small vertical wind turbines at designated locations on Tribal lands to offset energy costs for the Tribe. The Washoe Tribe will use and analyze data collected from the wind turbines to better understand the wind resource.
Date: March 26, 2012
Creator: Hess-McGeown, Tara
System: The UNT Digital Library
Reduced order modelling for dynamic simulations: LDRD feasibility study final report (open access)

Reduced order modelling for dynamic simulations: LDRD feasibility study final report

None
Date: November 26, 2012
Creator: Chand, K. K.; Henshaw, W. D. & Vassilevska, T. K.
System: The UNT Digital Library
Terahertz Radiation from a Pipe with Small Corrugations (open access)

Terahertz Radiation from a Pipe with Small Corrugations

We have studied through analytical and numerical methods the use of a relativistic electron bunch to drive a metallic beam pipe with small corrugations for the purpose of generating terahertz radiation. For the case of a pipe with dimensions that do not change along its length, we have shown that - with reasonable parameters - one can generate a narrow-band radiation pulse with frequency {approx}1 THz, and total energy of a few milli-Joules. The pulse length tends to be on the order of tens of picoseconds. We have also shown that, if the pipe radius is tapered along its length, the generated pulse will end up with a frequency chirp; if the pulse is then made to pass through a compressor, its final length can be reduced to a few picoseconds and its peak power increased to 1 GW. We have also shown that wall losses tend to be significant and need to be included in the structure design.
Date: January 26, 2012
Creator: Bane, K. L. F. & Stupakov, G.
System: The UNT Digital Library
Wynkoop Building Performance Measurement: Water (open access)

Wynkoop Building Performance Measurement: Water

This report is a summary of the water analysis performance for the Denver, Colorado Wynkoop Building. The Wynkoop Building (Figure 1) was built in 2006 as the Environmental Protection Agency (EPA) Region 8 Headquarters intended to house over 900 occupants in the 301,292 gross square feet (248,849 rentable square feet). The building was built on a brownfield in the Lower Downtown Historic District as part of an urban redevelopment effort. The building was designed and constructed through a public-private partnership with the sustainable design elements developed jointly by General Services Administration (GSA) and EPA. That partnership is still active with all parties still engaged to optimize building operations and use the building as a Learning Laboratory. The building design achieved U.S. Green Building Council Leadership in Energy and Environmental Design for New Construction (LEED-NC) Gold Certification in 2008 (Figure 2) and a 2008 EPA Energy Star Rating of 96 with design highlights that include: (1) Water use was designed to use 40% less than a typical design baseline. The design included low flow fixtures, waterless urinals and dual flush toilets; (2) Native and adaptive vegetation were selected to minimize the need for irrigation water for landscaping; and (3) Energy use …
Date: August 26, 2012
Creator: Fowler, Kimberly M. & Kora, Angela R.
System: The UNT Digital Library
SAMPLE RESULTS FROM THE INTEGRATED SALT DISPOSITION PROGRAM MACROBATCH 5 TANK 21H QUALIFICATION SAMPLES (open access)

SAMPLE RESULTS FROM THE INTEGRATED SALT DISPOSITION PROGRAM MACROBATCH 5 TANK 21H QUALIFICATION SAMPLES

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Macrobatch (Salt Batch) 5 for the Integrated Salt Disposition Project (ISDP). This document reports partial results of the analyses of samples of Tank 21H. No issues with the projected Salt Batch 5 strategy are identified. Results of the analyses of the Tank 21H samples from this report in conjunction with the findings of the previous report, indicates that the material does not display any unusual characteristics.
Date: March 26, 2012
Creator: Peters, T. & Fink, S.
System: The UNT Digital Library
SAFETY AND SENSITIVITY OF NITROGLYCERINE (NG) MIXTURES (open access)

SAFETY AND SENSITIVITY OF NITROGLYCERINE (NG) MIXTURES

None
Date: October 26, 2012
Creator: Hsu, P C; Hust, G & Schmidt, R
System: The UNT Digital Library
PROPERTIES IMPORTANT TO MIXING FOR WTP LARGE SCALE INTEGRATED TESTING (open access)

PROPERTIES IMPORTANT TO MIXING FOR WTP LARGE SCALE INTEGRATED TESTING

Large Scale Integrated Testing (LSIT) is being planned by Bechtel National, Inc. to address uncertainties in the full scale mixing performance of the Hanford Waste Treatment and Immobilization Plant (WTP). Testing will use simulated waste rather than actual Hanford waste. Therefore, the use of suitable simulants is critical to achieving the goals of the test program. External review boards have raised questions regarding the overall representativeness of simulants used in previous mixing tests. Accordingly, WTP requested the Savannah River National Laboratory (SRNL) to assist with development of simulants for use in LSIT. Among the first tasks assigned to SRNL was to develop a list of waste properties that matter to pulse-jet mixer (PJM) mixing of WTP tanks. This report satisfies Commitment 5.2.3.1 of the Department of Energy Implementation Plan for Defense Nuclear Facilities Safety Board Recommendation 2010-2: physical properties important to mixing and scaling. In support of waste simulant development, the following two objectives are the focus of this report: (1) Assess physical and chemical properties important to the testing and development of mixing scaling relationships; (2) Identify the governing properties and associated ranges for LSIT to achieve the Newtonian and non-Newtonian test objectives. This includes the properties to support …
Date: April 26, 2012
Creator: Koopman, D.; Martino, C. & Poirier, M.
System: The UNT Digital Library
DOE Project: Optimization of Advanced Diesel Engine Combustion Strategies "University Research in Advanced Combustion and Emissions Control" Office of FreedomCAR and Vehicle Technologies Program (open access)

DOE Project: Optimization of Advanced Diesel Engine Combustion Strategies "University Research in Advanced Combustion and Emissions Control" Office of FreedomCAR and Vehicle Technologies Program

The goal of the present technology development was to increase the efficiency of internal combustion engines while minimizing the energy penalty of meeting emissions regulations. This objective was achieved through experimentation and the development of advanced combustion regimes and emission control strategies, coupled with advanced petroleum and non-petroleum fuel formulations. To meet the goals of the project, it was necessary to improve the efficiency of expansion work extraction, and this required optimized combustion phasing and minimized in-cylinder heat transfer losses. To minimize fuel used for diesel particulate filter (DPF) regeneration, soot emissions were also minimized. Because of the complex nature of optimizing production engines for real-world variations in fuels, temperatures and pressures, the project applied high-fidelity computing and high-resolution engine experiments synergistically to create and apply advanced tools (i.e., fast, accurate predictive models) developed for low-emission, fuel-efficient engine designs. The companion experiments were conducted using representative single- and multi-cylinder automotive and truck diesel engines.
Date: October 26, 2012
Creator: Reitz, Rolf; Foster, D.; Ghandhi, J.; Rothamer, D.; Rutland, C.; Sanders, S. et al.
System: The UNT Digital Library
Nevada National Security Site Radiological Control Manual (open access)

Nevada National Security Site Radiological Control Manual

This document supersedes DOE/NV/25946--801, 'Nevada Test Site Radiological Control Manual,' Revision 1 issued in February 2010. Brief Description of Revision: A complete revision to reflect a recent change in name for the NTS; changes in name for some tenant organizations; and to update references to current DOE policies, orders, and guidance documents. Article 237.2 was deleted. Appendix 3B was updated. Article 411.2 was modified. Article 422 was re-written to reflect the wording of DOE O 458.1. Article 431.6.d was modified. The glossary was updated. This manual contains the radiological control requirements to be used for all radiological activities conducted by programs under the purview of the U.S. Department of Energy (DOE) and the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office (NNSA/NSO). Compliance with these requirements will ensure compliance with Title 10 Code of Federal Regulations (CFR) Part 835, 'Occupational Radiation Protection.' Programs covered by this manual are located at the Nevada National Security Site (NNSS); Nellis Air Force Base and North Las Vegas, Nevada; Santa Barbara and Livermore, California; and Andrews Air Force Base, Maryland. In addition, fieldwork by NNSA/NSO at other locations is covered by this manual. Current activities at NNSS include operating low-level radioactive …
Date: March 26, 2012
Creator: Council, Radiological Control Managers’
System: The UNT Digital Library
PROGRESS ON GENERIC PHASE-FIELD METHOD DEVELOPMENT (open access)

PROGRESS ON GENERIC PHASE-FIELD METHOD DEVELOPMENT

In this report, we summarize our current collobarative efforts, involving three national laboratories: Idaho National Laboratory (INL), Pacific Northwest National Laboratory (PNNL) and Los Alamos National Laboatory (LANL), to develop a computational framework for homogenous and heterogenous nucleation mechanisms into the generic phase-field model. During the studies, the Fe-Cr system was chosen as a model system due to its simplicity and availability of reliable thermodynamic and kinetic data, as well as the range of applications of low-chromium ferritic steels in nuclear reactors. For homogenous nucleation, the relavant parameters determined from atomistic studies were used directly to determine the energy functional and parameters in the phase-field model. Interfacial energy, critical nucleus size, nucleation rate, and coarsening kinetics were systematically examined in two- and three- dimensional models. For the heteregoneous nucleation mechanism, we studied the nucleation and growth behavior of chromium precipitates due to the presence of dislocations. The results demonstrate that both nucleation schemes can be introduced to a phase-field modeling algorithm with the desired accuracy and computational efficiency.
Date: September 26, 2012
Creator: Biner, Bullent; Tonks, Michael; Millett, Paul C.; Li, Yulan; Hu, Shenyang Y.; Gao, Fei et al.
System: The UNT Digital Library
Toroidal Precession as a Geometric Phase (open access)

Toroidal Precession as a Geometric Phase

Toroidal precession is commonly understood as the orbit-averaged toroidal drift of guiding centers in axisymmetric and quasisymmetric configurations. We give a new, more natural description of precession as a geometric phase effect. In particular, we show that the precession angle arises as the holonomy of a guiding center's poloidal trajectory relative to a principal connection. The fact that this description is physically appropriate is borne out with new, manifestly coordinate-independent expressions for the precession angle that apply to all types of orbits in tokamaks and quasisymmetric stellarators alike. We then describe how these expressions may be fruitfully employed in numerical calculations of precession.
Date: September 26, 2012
Creator: Burby, J. W. & Qin, H.
System: The UNT Digital Library
Technology Pathway Partnership Final Scientific Report (open access)

Technology Pathway Partnership Final Scientific Report

This report covers the scientific progress and results made in the development of high efficiency multijunction solar cells and the light concentrating non-imaging optics for the commercial generation of renewable solar energy. During the contract period the efficiency of the multijunction solar cell was raised from 36.5% to 40% in commercially available fully qualified cells. In addition significant strides were made in automating production process for these cells in order to meet the costs required to compete with commercial electricity. Concurrent with the cells effort Boeing also developed a non imaging optical systems to raise the light intensity at the photovoltaic cell to the rage of 800 to 900 suns. Solar module efficiencies greater than 30% were consistently demonstrated. The technology and its manufacturing were maturated to a projected price of < $0.015 per kWh and demonstrated by automated assembly in a robotic factory with a throughput of 2 MWh/yr. The technology was demonstrated in a 100 kW power plant erected at California State University Northridge, CA.
Date: April 26, 2012
Creator: Hall, John C. Dr. & Godby, Larry A.
System: The UNT Digital Library
Results for the Third Quarter 2012 Tank 50 WAC Slurry Sample: Chemical and Radionuclide Contaminants (open access)

Results for the Third Quarter 2012 Tank 50 WAC Slurry Sample: Chemical and Radionuclide Contaminants

This report details the chemical and radionuclide contaminant results for the characterization of the 2012 Third Quarter sampling of Tank 50 for the Saltstone Waste Acceptance Criteria (WAC). Information from this characterization will be used by Waste Solidification Engineering (WSE) to support the transfer of low-level aqueous waste from Tank 50 to the Salt Feed Tank in the Saltstone Facility in Z-Area, where the waste will be immobilized. This information is also used to update the Tank 50 Waste Characterization System.
Date: October 26, 2012
Creator: Bannochie, C. J.
System: The UNT Digital Library
Uranium in Hanford Site 300 Area: Extraction Data on Borehole Sediments (open access)

Uranium in Hanford Site 300 Area: Extraction Data on Borehole Sediments

In this study, sediments collected from boreholes drilled in 2010 and 2011 as part of a remedial investigation/feasibility study were characterized. The wells, located within or around two process ponds and one process trench waste site, were characterized in terms of total uranium concentration, mobile fraction of uranium, particle size, and moisture content along the borehole depth. In general, the gravel-dominated sediments of the vadose zone Hanford formation in all investigated boreholes had low moisture contents. Based on total uranium content, a total of 48 vadose zone and periodically rewetted zone sediment samples were selected for more detailed characterization, including measuring the concentration of uranium extracted with 8 M nitric acid, and leached using bicarbonate mixed solutions to determine the liable uranium (U(VI)) contents. In addition, water extraction was conducted on 17 selected sediments. Results from the sediment acid and bicarbonate extractions indicated the total concentrations of anthropogenic labile uranium in the sediments varied among the investigated boreholes. The peak uranium concentration (114.84 µg/g, acid extract) in <2-mm size fractions was found in borehole 399 1-55, which was drilled directly in the southwest corner of the North Process Pond. Lower uranium concentrations (~0.3–2.5 µg/g, acid extract) in <2-mm size fractions …
Date: November 26, 2012
Creator: Wang, Guohui; Serne, R. Jeffrey; Lindberg, Michael J.; Um, Wooyong; Bjornstad, Bruce N.; Williams, Benjamin D. et al.
System: The UNT Digital Library
Multi-MW 22.8 GHz Harmonic Multiplier - RF Power Source for High-Gradient Accelerator R&D (open access)

Multi-MW 22.8 GHz Harmonic Multiplier - RF Power Source for High-Gradient Accelerator R&D

Electrodynamic and particle simulation studies have been carried out to optimize design of a two-cavity harmonic frequency multiplier, in which a linear electron beam is energized by rotating fields near cyclotron resonance in a TE111 cavity in a uniform magnetic field, and in which the beam then radiates coherently at the nth harmonic into a TEn11 output cavity. Examples are worked out in detail for 7th and 2nd harmonic converters, showing RF-to-RF conversion efficiencies of 45% and 88%, respectively at 19.992 GHz (K-band) and 5.712 GHz (C-band), for a drive frequency of 2.856 GHz. Details are shown of RF infrastructure (S-band klystron, modulator) and harmonic converter components (drive cavity, output cavities, electron beam source and modulator, beam collector) for the two harmonic converters to be tested. Details are also given for the two-frequency (S- and C-band) coherent multi-MW test stand for RF breakdown and RF gun studies.
Date: July 26, 2012
Creator: Hirshfield, Jay L.
System: The UNT Digital Library
Liquid Tin Anode Direct Coal Fuel Cell Final Program Report (open access)

Liquid Tin Anode Direct Coal Fuel Cell Final Program Report

This SBIR program will result in improved LTA cell technology which is the fundamental building block of the Direct Coal ECL concept. As described below, ECL can make enormous efficiency and cost contributions to utility scale coal power. This program will improve LTA cells for small scale power generation. As described in the Commercialization section, there are important intermediate military and commercial markets for LTA generators that will provide an important bridge to the coal power application. The specific technical information from this program relating to YSZ electrolyte durability will be broadly applicable SOFC developers working on coal based SOFC generally. This is an area about which very little is currently known and will be critical for successfully applying fuel cells to coal power generation.
Date: January 26, 2012
Creator: Tao, Thomas
System: The UNT Digital Library
Multiphase Nano-Composite Coatings for Achieving Energy Optimization (open access)

Multiphase Nano-Composite Coatings for Achieving Energy Optimization

UES Inc. and ANL teamed in this work to develop novel coating systems for the protection of surfaces from thermal degradation mainly in two applications; Machining and Die casting. These coatings were specifically designed for the purpose by incorporating required material phases and the overall architecture, which led to reduce the energy usage and increase efficiency of the operations. Following the UES/ANL'™s feasibility work, the coatings were developed utilizing High power impulse magnetron sputtering (HiPMS) and Large area filtered arc deposition (LAFAD) techniques. Toughness, hardness and oxidation resistance: contrasting qualities have been mixed in the right proportion to attain the suitable material characteristic for the cause. Hafnium diboride (HfB2) based materials provided such a system and its properties were tamed to attain the right combination of toughness and hardness by working on the microstructure and architecture of coatings. An effective interfacing material (graded concentrations of topcoat) was also achieved in this work to provide the required adhesion between the substrate and the coating. Combination of an appropriate bond coat and a functional top coat provided the present thermal degradation resistant coating for cutting tools and die-casting applications. Laboratory level performance tests and industrial level application tests by partner companies (Beta …
Date: March 26, 2012
Creator: Nainaparampil, Dr. Jose
System: The UNT Digital Library
Emergency Response CapabilityBaseline Needs AssessmentRequirements Document (open access)

Emergency Response CapabilityBaseline Needs AssessmentRequirements Document

None
Date: December 26, 2012
Creator: Sharry, J A
System: The UNT Digital Library
Cache Performance Analysis and Optimization (open access)

Cache Performance Analysis and Optimization

None
Date: November 26, 2012
Creator: Mohror`, K. & Rountree, B.
System: The UNT Digital Library
Scoping analysis of the Advanced Test Reactor using SN2ND (open access)

Scoping analysis of the Advanced Test Reactor using SN2ND

A detailed set of calculations was carried out for the Advanced Test Reactor (ATR) using the SN2ND solver of the UNIC code which is part of the SHARP multi-physics code being developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in DOE-NE. The primary motivation of this work is to assess whether high fidelity deterministic transport codes can tackle coupled dynamics simulations of the ATR. The successful use of such codes in a coupled dynamics simulation can impact what experiments are performed and what power levels are permitted during those experiments at the ATR. The advantages of the SN2ND solver over comparable neutronics tools are its superior parallel performance and demonstrated accuracy on large scale homogeneous and heterogeneous reactor geometries. However, it should be noted that virtually no effort from this project was spent constructing a proper cross section generation methodology for the ATR usable in the SN2ND solver. While attempts were made to use cross section data derived from SCALE, the minimal number of compositional cross section sets were generated to be consistent with the reference Monte Carlo input specification. The accuracy of any deterministic transport solver is impacted by such an approach and clearly it causes …
Date: July 26, 2012
Creator: Wolters, E.; Smith, M. & SC), (
System: The UNT Digital Library
Secondary Waste Cast Stone Waste Form Qualification Testing Plan (open access)

Secondary Waste Cast Stone Waste Form Qualification Testing Plan

The Hanford Tank Waste Treatment and Immobilization Plant (WTP) is being constructed to treat the 56 million gallons of radioactive waste stored in 177 underground tanks at the Hanford Site. The WTP includes a pretreatment facility to separate the wastes into high-level waste (HLW) and low-activity waste (LAW) fractions for vitrification and disposal. The LAW will be converted to glass for final disposal at the Integrated Disposal Facility (IDF). Cast Stone – a cementitious waste form, has been selected for solidification of this secondary waste stream after treatment in the ETF. The secondary-waste Cast Stone waste form must be acceptable for disposal in the IDF. This secondary waste Cast Stone waste form qualification testing plan outlines the testing of the waste form and immobilization process to demonstrate that the Cast Stone waste form can comply with the disposal requirements. Specifications for the secondary-waste Cast Stone waste form have not been established. For this testing plan, Cast Stone specifications are derived from specifications for the immobilized LAW glass in the WTP contract, the waste acceptance criteria for the IDF, and the waste acceptance criteria in the IDF Permit issued by the State of Washington. This testing plan outlines the testing needed …
Date: September 26, 2012
Creator: Westsik, Joseph H. & Serne, R. Jeffrey
System: The UNT Digital Library
Corrective Action Site 02-37-02 Background Information and Comparison to Corrective Action Site 09-99-06 (open access)

Corrective Action Site 02-37-02 Background Information and Comparison to Corrective Action Site 09-99-06

Corrective Action Site (CAS) 02-37-02, Gas Sampling Assembly, is associated with nuclear test MULLET. MULLET was an underground safety test conducted on October 17, 1963. The experiment also involved prompt sampling of particulate material from the detonation, similar to CAS 09-99-06, Gas Sampling Assembly, which is associated with PLAYER/YORK. The sampling system at MULLET was similar to that of PLAYER/YORK and was used to convey gas from the MULLET emplacement hole (U2ag) to a sampling assembly. Beyond the sampling assembly, the system had a &#x27;Y&#x27; junction with one branch running to a filter unit and the other running to a scrubber unit. The total system length was approximately 250 feet and is depicted on the attached drawing. According to the available background information, retrieval of the sample material from the MULLET event caused significant alpha (plutonium) contamination, limited to an area near ground zero (GZ). Test support Radiological Control Technicians did not detect contamination outside the immediate GZ area. In addition, vehicles, equipment, and workers that were contaminated were decontaminated on site. Soil contamination was addressed through the application of oil, and the site was decommissioned after the test. Any equipment that could be successfully decontaminated and had a future …
Date: June 26, 2012
Creator: unknown
System: The UNT Digital Library
Serpentine: Finite Difference Methods for Wave Propagation in Second Order Formulation (open access)

Serpentine: Finite Difference Methods for Wave Propagation in Second Order Formulation

Wave propagation phenomena are important in many DOE applications such as nuclear explosion monitoring, geophysical exploration, estimating ground motion hazards and damage due to earthquakes, non-destructive testing, underground facilities detection, and acoustic noise propagation. There are also future applications that would benefit from simulating wave propagation, such as geothermal energy applications and monitoring sites for carbon storage via seismic reflection techniques. In acoustics and seismology, it is of great interest to increase the frequency bandwidth in simulations. In seismic exploration, greater frequency resolution enables shorter wave lengths to be included in the simulations, allowing for better resolution in the seismic imaging. In nuclear explosion monitoring, higher frequency seismic waves are essential for accurate discrimination between explosions and earthquakes. When simulating earthquake induced motion of large structures, such as nuclear power plants or dams, increased frequency resolution is essential for realistic damage predictions. Another example is simulations of micro-seismic activity near geothermal energy plants. Here, hydro-fracturing induces many small earthquakes and the time scale of each event is proportional to the square root of the moment magnitude. As a result, the motion is dominated by higher frequencies for smaller seismic events. The above wave propagation problems are all governed by systems …
Date: March 26, 2012
Creator: Petersson, N A & Sjogreen, B
System: The UNT Digital Library