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Atmosphere-Land-Surface Interaction over the Southern Great Plains: Diagnosis of Mechanisms from SGP ARM Data

Description: Work reported included analysis of pentad (5 day) averaged data, proposal of a hypothesis concerning the key role of the Atlantic Multi-decadal Oscillation in 20th century drought and wet periods over the Great Plains, analysis of recurrent super-synoptic evolution of the Great Plains low-level jet, and study of pentad evolution of the 1988 drought and 1993 flood over the Great Plains from a NARR perspective on the atmospheric and terrestrial water balance.
Date: February 1, 2013
Creator: Nigam, Sumant
Partner: UNT Libraries Government Documents Department

Dynamics of Arctic and Sub-Arctic Climate and Atmospheric Circulation: Diagnosis of Mechanisms and Model Biases Using data Assimilation

Description: These five publications are summarized: Key role of the Atlantic Multidecadal Oscillation in 20th century drought and wet periods over the Great Plains; A Sub-Seasonal Teleconnection Analysis: PNA Development and Its Relationship to the NAO; AMO's Structure and Climate Footprint in Observations and IPCC AR5 Climate Simulations; The Atlantic Multidecadal Oscillation in 20th Century Climate Simulations: Uneven Progress from CMIP3 to CMIP5; and Tropical Atlantic Biases in CCSM4.
Date: February 5, 2013
Creator: Nigam, Sumant
Partner: UNT Libraries Government Documents Department

Quantifiably secure power grid operation, management, and evolution : a study of uncertainties affecting the grid integration of renewables.

Description: This report summarizes findings and results of the Quantifiably Secure Power Grid Operation, Management, and Evolution LDRD. The focus of the LDRD was to develop decisionsupport technologies to enable rational and quantifiable risk management for two key grid operational timescales: scheduling (day-ahead) and planning (month-to-year-ahead). Risk or resiliency metrics are foundational in this effort. The 2003 Northeast Blackout investigative report stressed the criticality of enforceable metrics for system resiliency - the grid's ability to satisfy demands subject to perturbation. However, we neither have well-defined risk metrics for addressing the pervasive uncertainties in a renewable energy era, nor decision-support tools for their enforcement, which severely impacts efforts to rationally improve grid security. For day-ahead unit commitment, decision-support tools must account for topological security constraints, loss-of-load (economic) costs, and supply and demand variability - especially given high renewables penetration. For long-term planning, transmission and generation expansion must ensure realized demand is satisfied for various projected technological, climate, and growth scenarios. The decision-support tools investigated in this project paid particular attention to tailoriented risk metrics for explicitly addressing high-consequence events. Historically, decisionsupport tools for the grid consider expected cost minimization, largely ignoring risk and instead penalizing loss-of-load through artificial parameters. The technical focus of this work was the development of scalable solvers for enforcing risk metrics. Advanced stochastic programming solvers were developed to address generation and transmission expansion and unit commitment, minimizing cost subject to pre-specified risk thresholds. Particular attention was paid to renewables where security critically depends on production and demand prediction accuracy. To address this concern, powerful filtering techniques for spatio-temporal measurement assimilation were used to develop short-term predictive stochastic models. To achieve uncertaintytolerant solutions, very large numbers of scenarios must be simultaneously considered. One focus of this work was investigating ways of reasonably reducing this number.
Date: September 1, 2013
Creator: Gray, Genetha Anne; Watson, Jean-Paul; Silva Monroy, Cesar Augusto & Gramacy, Robert B.
Partner: UNT Libraries Government Documents Department

Participation in Muon Collider/Neutrino Factory Research and Development

Description: Muon accelerators hold great promise for the future of high energy physics and their construction can be staged to support a broad physics program. Great progress was made over the past decade toward developing the technology for muon beam cooling which is one of the main challenges for building such facilities.
Date: March 20, 2013
Creator: Torun, Yagmur
Partner: UNT Libraries Government Documents Department

Final Technical Report for "Feature Extraction, Characterization, and Visualization for Protein Interaction via Geometric and Topological Methods"

Description: Shape analysis plays an important role in many applications. In particular, in molecular biology, analyzing molecular shapes is essential to the fundamental problem of understanding how molecules interact. This project aims at developing efficient and effective algorithms to characterize and analyze molecular structures using geometric and topological methods. Two main components of this project are (1) developing novel molecular shape descriptors; and (2) identifying and representing meaningful features based on those descriptors. The project also produces accompanying (visualization) software. Results from this project (09/2006–10/2009) include the following publications. We have also set up web-servers for the software developed in this period, so that our new methods are accessible to a broader scientific community. The web sites are given below as well. In this final technical report, we first list publications and software resulted from this project. We then briefly explain the research conducted and main accomplishments during the period of this project.
Date: March 25, 2013
Creator: Wang, Yusu
Partner: UNT Libraries Government Documents Department

High Performance Cathodes for Li-Air Batteries

Description: The overall objective of this project was to develop and fabricate a multifunctional cathode with high activities in acidic electrolytes for the oxygen reduction and evolution reactions for Li-air batteries. It should enable the development of Li-air batteries that operate on hybrid electrolytes, with acidic catholytes in particular. The use of hybrid electrolytes eliminates the problems of lithium reaction with water and of lithium oxide deposition in the cathode with sole organic electrolytes. The use of acid electrolytes can eliminate carbonate formation inside the cathode, making air breathing Li-air batteries viable. The tasks of the project were focused on developing hierarchical cathode structures and bifunctional catalysts. Development and testing of a prototype hybrid Li-air battery were also conducted. We succeeded in developing a hierarchical cathode structure and an effective bifunctional catalyst. We accomplished integrating the cathode with existing anode technologies and made a pouch prototype Li-air battery using sulfuric acid as catholyte. The battery cathodes contain a nanoscale multilayer structure made with carbon nanotubes and nanofibers. The structure was demonstrated to improve battery performance substantially. The bifunctional catalyst developed contains a conductive oxide support with ultra-low loading of platinum and iridium oxides. The work performed in this project has been documented in seven peer reviewed journal publications, five conference presentations, and filing of two U.S. patents. Technical details have been documented in the quarterly reports to DOE during the course of the project.
Date: August 22, 2013
Creator: Xing, Yangchuan
Partner: UNT Libraries Government Documents Department

Electrode Induced Removal and Recovery of Uranium (VI) from Acidic Subsurfaces

Description: The overarching objective of this research is to provide an improved understanding of how aqueous geochemical conditions impact the removal of U and Tc from groundwater and how engineering design may be utilized to optimize removal of these radionuclides. Experiments were designed to address the unique conditions in Area 3 of ORNL while also providing broader insight into the geochemical effectors of the removal rates and extent for U and Tc. The specific tasks of this work were to: 1) quantify the impact of common aqueous geochemical and operational conditions on the rate and extent of U removal and recovery from water, 2) investigate the removal of Tc with polarized graphite electrode, and determine the influence of geochemical and operational conditions on Tc removal and recovery, 3) determine whether U and Tc may be treated simultaneous from Area 3 groundwater, and examine the bench-scale performance of electrode-based treatment, and 4) determine the capacity of graphite electrodes for U(VI) removal and develop a mathematical, kinetic model for the removal of U(VI) from aqueous solution. Overall the body of work suggests that an electrode-based approach for the remediation of acidic subsurface environments, such as those observed in Area 3 of ORNL may be successful for the removal for both U(VI) and Tc. Carbonaceous (graphite) electrode materials are likely to be the least costly means to maximize removal rates and efficiency by maximizing the electrode surface area.
Date: August 12, 2013
Creator: Gregory, Kelvin
Partner: UNT Libraries Government Documents Department

Physiochemical Evidence of Faulting Processes and Modeling of Fluid in Evolving Fault Systems in Southern California

Description: Our study targets recent (Plio-Pleistocene) faults and young (Tertiary) petroleum fields in southern California. Faults include the Refugio Fault in the Transverse Ranges, the Ellwood Fault in the Santa Barbara Channel, and most recently the Newport- Inglewood in the Los Angeles Basin. Subsurface core and tubing scale samples, outcrop samples, well logs, reservoir properties, pore pressures, fluid compositions, and published structural-seismic sections have been used to characterize the tectonic/diagenetic history of the faults. As part of the effort to understand the diagenetic processes within these fault zones, we have studied analogous processes of rapid carbonate precipitation (scaling) in petroleum reservoir tubing and manmade tunnels. From this, we have identified geochemical signatures in carbonate that characterize rapid CO2 degassing. These data provide constraints for finite element models that predict fluid pressures, multiphase flow patterns, rates and patterns of deformation, subsurface temperatures and heat flow, and geochemistry associated with large fault systems.
Date: May 24, 2013
Creator: Boles, James
Partner: UNT Libraries Government Documents Department

Formulating a simplified equivalent representation of distribution circuits for PV impact studies.

Description: With an increasing number of Distributed Generation (DG) being connected on the distribution system, a method for simplifying the complexity of the distribution system to an equivalent representation of the feeder is advantageous for streamlining the interconnection study process. The general characteristics of the system can be retained while reducing the modeling effort required. This report presents a method of simplifying feeders to only specified buses-of-interest. These buses-of-interest can be potential PV interconnection locations or buses where engineers want to verify a certain power quality. The equations and methodology are presented with mathematical proofs of the equivalence of the circuit reduction method. An example 15-bus feeder is shown with the parameters and intermediate example reduction steps to simplify the circuit to 4 buses. The reduced feeder is simulated using PowerWorld Simulator to validate that those buses operate with the same characteristics as the original circuit. Validation of the method is also performed for snapshot and time-series simulations with variable load and solar energy output data to validate the equivalent performance of the reduced circuit with the interconnection of PV.
Date: April 1, 2013
Creator: Reno, Matthew J.; Broderick, Robert Joseph & Grijalva, Santiago
Partner: UNT Libraries Government Documents Department

A Joint Theory and Experimental Project in the Synthesis and Testing of Porous COFs for On-Board Vehicular Hydrogen Storage

Description: 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) densities to be achieved by 2015. From our continuous efforts on hydrogen storage, it is believed that metalation of highly porous solids with high-valence metals is promising and provides a rational direction to realize high volumetric hydrogen density near room temperature. This grant was focused on the study of high surface area covalent organic frameworks (COFs) with these specific objectives (1) to introduce potential metal binding sites through the COF synthesis and (2) to implement metalation experiments and evaluate their respective hydrogen adsorption properties. To maximize our efforts, simulation calculations were also performed (prior to experiments) for the prediction of binding enthalpy of hydrogen for molecular building units containing transition metals and promising COF structures to increase volumetric hydrogen uptake at room temperature. In this effort, first molecular building units with optimal binding energy for hydrogen storage (20 kJ/mol) were designed by quantum mechanical (QM) methods. Employing these results, it was revealed that one of metalated COFs takes up 60 g/L (total) of H2 at 100 bar and 298 K. To realize proposed COF structures, chemistry of COF synthesis has been developed; for instance, new air stable COFs were synthesized via hydrazone (COF-41 to 43) and imine condensation (COF-301, 320, 340, and 366) and some of them were tested the effect on metalation. Finally, a new triazine COF with high volumetric hydrogen uptake capacity was presented as a proposed future direction.
Date: June 29, 2013
Creator: Yaghi, Omar M. & Goddard, William A.
Partner: UNT Libraries Government Documents Department

Effects of Low-Dose Alpha-Particle Irradiation in Human Cells: The Role of Induced Genes and the Bystander Effect. Final Technical Report (9/15/1998-5/31/2005)

Description: This grant was designed to examine the cellular and molecular mechanisms for the bystander effect of radiation (initially described in this laboratory) whereby damage signals are passed from irradiated to non-irradiated cells in a population. These signals induce genetic effects including DNA damage, mutations and chromosomal aberrations in the nonirradiated cells. Experiments were carried out in cultured mammalian cells, primarily human diploid cells, irradiated with alpha particles. This research resulted in 17 publications in the refereed literature and is described in the Progress Report where it is keyed to the publication list. This project was initiated at the Harvard School of Public Health (HSPH) and continued in collaboration with students/fellows at Colorado State University (CSU) and the New Jersey Medical School (NJMS).
Date: September 17, 2013
Creator: Little, John B.
Partner: UNT Libraries Government Documents Department

Heritable Genetic Changes in Cells Recovered From Irradiated 3D Tissue Contracts. Final report

Description: Combining contemporary cytogenetic methods with DNA CGH microarray technology and chromosome flow-sorting increases substantially the ability to resolve exchange breakpoints associated with interstitial deletions and translocations, allowing the consequences of radiation damage to be directly measured at low doses, while also providing valuable insights into molecular mechanisms of misrepair processes that, in turn, identify appropriate biophysical models of risk at low doses. The aims of this work apply to cells recovered from 3D tissue constructs of human skin and, for the purpose of comparison, the same cells irradiated in traditional 2D cultures. These aims are: to analyze by multi-flour fluorescence in situ hybridization (mFISH) the chromosomes in clonal descendents of individual human fibroblasts that were previously irradiated; to examine irradiated clones from Aim 1 for submicroscopic deletions by subjecting their DNA to comparative genomic hybridization (CGH) microarray analysis; and to flow-sort aberrant chromosomes from clones containing stable radiation-induced translocations and map the breakpoints to within an average resolution of 100 kb using the technique of 'array painting'.
Date: May 3, 2013
Creator: Cornforth, Michael N.
Partner: UNT Libraries Government Documents Department

Collaborative Research: Towards Advanced Understanding and Predictive Capability of Climate Change in the Arctic Using a High-Resolution Regional Arctic Climate System Model

Description: The motivation for this project was to advance the science of climate change and prediction in the Arctic region. Its primary goals were to (i) develop a state-of-the-art Regional Arctic Climate system Model (RACM) including high-resolution atmosphere, land, ocean, sea ice and land hydrology components and (ii) to perform extended numerical experiments using high performance computers to minimize uncertainties and fundamentally improve current predictions of climate change in the northern polar regions. These goals were realized first through evaluation studies of climate system components via one-way coupling experiments. Simulations were then used to examine the effects of advancements in climate component systems on their representation of main physics, time-mean fields and to understand variability signals at scales over many years. As such this research directly addressed some of the major science objectives of the BER Climate Change Research Division (CCRD) regarding the advancement of long-term climate prediction.
Date: February 7, 2013
Creator: Gutowski, William J.
Partner: UNT Libraries Government Documents Department

Hydrogen Technology and Energy Curriculum (HyTEC)

Description: The Lawrence Hall of Science of the University of California, Berkeley has collaborated with scientists and engineers, a local transit agency, school districts, and a commercial curriculum publisher to develop, field-test nationally, and publish a two-week curriculum module on hydrogen and fuel cells for high school science. Key partners in this project are the Schatz Energy Research Center (SERC) of Humboldt State University, the Alameda-Contra Costa Transit District (AC Transit), FilmSight Productions, Lab-Aids, Inc., and 32 teachers and 2,370 students in field-test classrooms in California, Connecticut, Ohio, New York, South Carolina, and Washington. Field-test teachers received two to three days of professional development before teaching the curriculum and providing feedback used for revision of the curriculum. The curriculum, titled Investigating Alternative Energy: Hydrogen and Fuel Cells and published by Lab-Aids, Inc., includes a teachers guide (with lesson plans, resources, and student handout pages), two interactive computer animations, a video, a website, and a laboratory materials kit. The project has been disseminated to over 950 teachers through awareness workshops at state, regional, and national science teacher conferences.
Date: February 28, 2013
Creator: Nagle, Barbara
Partner: UNT Libraries Government Documents Department

Dual-Readout Calorimetry for High-Quality Energy Measurements. Final Report

Description: This document constitutes the final report on the project Dual-Readout Calorimetry for High-Quality Energy Measurements. The project was carried out by a consortium of US and Italian physicists, led by Dr. Richard Wigmans (Texas tech University). This consortium built several particle detectors and tested these at the European Center for Nuclear Research (CERN) in Geneva, Switzerland. The idea arose to use scintillating crystals as dual-readout calorimeters. Such crystals were of course already known to provide excellent energy resolution for the detection of particles developing electromagnetic (em) showers. The efforts to separate the signals from scintillating crystals into scintillation and Cerenkov components led to four different methods by which this could be accomplished. These methods are based on a) the directionality, b) spectral differences, c) the time structure, and d) the polarization of the signals.
Date: September 1, 2013
Creator: Wigmans, Richard & Nural, Akchurin
Partner: UNT Libraries Government Documents Department

Critical Issues in High End Computing - Final Report

Description: High-End computing (HEC) has been a driver for advances in science and engineering for the past four decades. Increasingly HEC has become a significant element in the national security, economic vitality, and competitiveness of the United States. Advances in HEC provide results that cut across traditional disciplinary and organizational boundaries. This program provides opportunities to share information about HEC systems and computational techniques across multiple disciplines and organizations through conferences and exhibitions of HEC advances held in Washington DC so that mission agency staff, scientists, and industry can come together with White House, Congressional and Legislative staff in an environment conducive to the sharing of technical information, accomplishments, goals, and plans. A common thread across this series of conferences is the understanding of computational science and applied mathematics techniques across a diverse set of application areas of interest to the Nation. The specific objectives of this program are: Program Objective 1. To provide opportunities to share information about advances in high-end computing systems and computational techniques between mission critical agencies, agency laboratories, academics, and industry. Program Objective 2. To gather pertinent data, address specific topics of wide interest to mission critical agencies. Program Objective 3. To promote a continuing discussion of critical issues in high-end computing. Program Objective 4.To provide a venue where a multidisciplinary scientific audience can discuss the difficulties applying computational science techniques to specific problems and can specify future research that, if successful, will eliminate these problems.
Date: September 23, 2013
Creator: Corones, James
Partner: UNT Libraries Government Documents Department

Novel Cyclotron-Based Radiometal Production

Description: Accomplishments: (1) Construction of prototype solution target for radiometal production; (2) Testing of prototype target for production of following isotopes: a. Zr-89. Investigation of Zr-89 production from Y-89 nitrate solution. i. Defined problems of gas evolution and salt precipitation. ii. Solved problem of precipitation by addition of nitric acid. iii. Solved gas evolution problem with addition of backpressure regulator and constant degassing of target during irradiations. iv. Investigated effects of Y-89 nitrate concentration and beam current. v. Published abstracts at SNM and ISRS meetings; (3) Design of 2nd generation radiometal solution target. a. Included reflux chamber and smaller target volume to conserve precious target materials. b. Included aluminum for prototype and tantalum for working model. c. Included greater varicosities for improved heat transfer; and, (4) Construction of 2nd generation radiometal solution target started.
Date: October 31, 2013
Creator: DeGrado, Timothy R.
Partner: UNT Libraries Government Documents Department

Integrated genome based studies of Shewanella ecophysiology

Description: Progress is reported in these areas: Regulation of anaerobic respiration by cAMP receptor protein and role of adenylate cyclases; Identification of an octaheme c cytochrome as the terminal sulfite reductase in S. oneidensis MR-1; Identification and analysis of components of the electron transport chains that lead to reduction of thiosulfate, tetrathionate, and elemental sulfur in MR-1; Involvement of pili and flagella in metal reduction by S. oneidensis MR-1; and work suggesting that HemN1 is the major enzyme that is involved in heme biosynthesis under anaerobic conditions.
Date: March 7, 2013
Creator: Saffarini, Daad A.
Partner: UNT Libraries Government Documents Department

Wind Energy Workforce Development: Engineering, Science, & Technology

Description: Broadly, this project involved the development and delivery of a new curriculum in wind energy engineering at the Pennsylvania State University; this includes enhancement of the Renewable Energy program at the Pennsylvania College of Technology. The new curricula at Penn State includes addition of wind energy-focused material in more than five existing courses in aerospace engineering, mechanical engineering, engineering science and mechanics and energy engineering, as well as three new online graduate courses. The online graduate courses represent a stand-alone Graduate Certificate in Wind Energy, and provide the core of a Wind Energy Option in an online intercollege professional Masters degree in Renewable Energy and Sustainability Systems. The Pennsylvania College of Technology erected a 10 kilowatt Xzeres wind turbine that is dedicated to educating the renewable energy workforce. The entire construction process was incorporated into the Renewable Energy A.A.S. degree program, the Building Science and Sustainable Design B.S. program, and other construction-related coursework throughout the School of Construction and Design Technologies. Follow-on outcomes include additional non-credit opportunities as well as secondary school career readiness events, community outreach activities, and public awareness postings.
Date: March 29, 2013
Creator: Lesieutre, George A.; Stewart, Susan W. & Bridgen, Marc
Partner: UNT Libraries Government Documents Department

Toward the Theory of Turbulence in Magnetized Plasmas

Description: The goal of the project was to develop a theory of turbulence in magnetized plasmas at large scales, that is, scales larger than the characteristic plasma microscales (ion gyroscale, ion inertial scale, etc.). Collisions of counter-propagating Alfven packets govern the turbulent cascade of energy toward small scales. It has been established that such an energy cascade is intrinsically anisotropic, in that it predominantly supplies energy to the modes with mostly field-perpendicular wave numbers. The resulting energy spectrum of MHD turbulence, and the structure of the fluctuations were studied both analytically and numerically. A new parallel numerical code was developed for simulating reduced MHD equations driven by an external force. The numerical setting was proposed, where the spectral properties of the force could be varied in order to simulate either strong or weak turbulent regimes. It has been found both analytically and numerically that weak MHD turbulence spontaneously generates a “condensate”, that is, concentration of magnetic and kinetic energy at small k{sub {parallel}}. A related topic that was addressed in the project is turbulent dynamo action, that is, generation of magnetic field in a turbulent flow. We were specifically concentrated on the generation of large-scale magnetic field compared to the scales of the turbulent velocity field. We investigate magnetic field amplification in a turbulent velocity field with nonzero helicity, in the framework of the kinematic Kazantsev-Kraichnan model.
Date: July 26, 2013
Creator: Boldyrev, Stanislav
Partner: UNT Libraries Government Documents Department

Final Report: Stability and Novel Properties of Magnetic Materials and Ferromagnet / Insulator Interfaces

Description: We report investigations of the synthesis, structure, and properties of new materials for spintronic applications integrated onto silicon substrates. Our primary focus is materials with very high, negative, intrinsic spin polarization of the density of states at the Fermi level. We have developed a new synthesis method for Fe3O4 thin films through selective oxidation of Fe, resulting in smooth, low-defect density films. We have synthesized Fe4N films and shown that they preferentially oxidize to Fe3O4. When integrated into magnetic tunnel junctions consisting of Fe4N / AlOx / Fe, oxidation at the Fe4N / AlOx interface creates Fe3O4, leading to negative tunneling magnetoresistance (TMR). Oxidation of Fe in nominally symmetric CoFe / AlOx / CoFe also produces Fe3O4 and negative TMR under selected oxidation conditions.
Date: July 24, 2013
Creator: Voyles, Paul
Partner: UNT Libraries Government Documents Department

Large Cryogenic Germanium Detector. Final Report

Description: The goal of this project was to investigate possible ways of increasing the size of cryogenic Ge detectors. This project identified two possible approaches to increasing the individual cryogenic Ge detector size. The first approach relies on using the existing technology for growing detector-grade (high-purity) germanium crystals of dislocation density 100-7000 cm{sup -2}. The second approach is to consider dislocation-free Ge crystals.
Date: February 13, 2013
Creator: Mandic, Vuk
Partner: UNT Libraries Government Documents Department