Yearly Technical Report for DE-FG02-03ER46026 (open access)

Yearly Technical Report for DE-FG02-03ER46026

We propose a unique, all-electron, thermodynamic density functional theory (DFT) code that directly predicts full or partial long-range order in crystalline (defected) solids and their effect on electronic properties via a first-principles mean-field theory, scales linear with number of atoms N per unit-cell [i.e. O(N), due to use of a mathematical-based screening in k-space], and addresses up to 1 million atoms using parallel architectures. Novel O(N) algorithms will be developed to permit this for an all-electron KKR Green's functional density-functional theory code.
Date: May 25, 2012
Creator: Johnson, Duane D.
Object Type: Report
System: The UNT Digital Library
Low Cost Thin Film Building-Integrated Photovoltaic Systems (open access)

Low Cost Thin Film Building-Integrated Photovoltaic Systems

The goal of the program is to develop 'LOW COST THIN FILM BUILDING-INTEGRATED PV SYSTEMS'. Major focus was on developing low cost solution for the commercial BIPV and rooftop PV market and meet DOE LCOE goal for the commercial market segment of 9-12 cents/kWh for 2010 and 6-8 cents/kWh for 2015. We achieved the 2010 goal and were on track to achieve the 2015 goal. The program consists of five major tasks: (1) modules; (2) inverters and BOS; (3) systems engineering and integration; (4) deployment; and (5) project management and TPP collaborative activities. We successfully crossed all stage gates and surpassed all milestones. We proudly achieved world record stable efficiencies in small area cells (12.56% for 1cm2) and large area encapsulated modules (11.3% for 800 cm2) using a triple-junction amorphous silicon/nanocrystalline silicon/nanocrystalline silicon structure, confirmed by the National Renewable Energy Laboratory. We collaborated with two inverter companies, Solectria and PV Powered, and significantly reduced inverter cost. We collaborated with three universities (Syracuse University, University of Oregon, and Colorado School of Mines) and National Renewable Energy Laboratory, and improved understanding on nanocrystalline material properties and light trapping techniques. We jointly published 50 technical papers in peer-reviewed journals and International Conference Proceedings. …
Date: May 25, 2012
Creator: Guha, Dr. Subhendu & Yang, Dr. Jeff
Object Type: Report
System: The UNT Digital Library
Design of RF Feed System for Standing-Wave Accelerator Structures (open access)

Design of RF Feed System for Standing-Wave Accelerator Structures

We are investigating a standing wave accelerator structure that uses a rf feed to each individual cell. This approach minimizes rf power flow and electromagnetic energy absorbed by an rf breakdown. The objective of this work is a robust high-gradient (above 100 MV/m) X-band accelerator structure.
Date: May 25, 2012
Creator: Neilson, J.; Tantawi, S. & Dolgashev, V.
Object Type: Article
System: The UNT Digital Library
Understanding Nitrogen Fixation (open access)

Understanding Nitrogen Fixation

The purpose of our program is to explore fundamental chemistry relevant to the discovery of energy efficient methods for the conversion of atmospheric nitrogen (N{sub 2}) into more value-added nitrogen-containing organic molecules. Such transformations are key for domestic energy security and the reduction of fossil fuel dependencies. With DOE support, we have synthesized families of zirconium and hafnium dinitrogen complexes with elongated and activated N-N bonds that exhibit rich N{sub 2} functionalization chemistry. Having elucidated new methods for N-H bond formation from dihydrogen, C-H bonds and Broensted acids, we have since turned our attention to N-C bond construction. These reactions are particularly important for the synthesis of amines, heterocycles and hydrazines with a range of applications in the fine and commodity chemicals industries and as fuels. One recent highlight was the discovery of a new N{sub 2} cleavage reaction upon addition of carbon monoxide which resulted in the synthesis of an important fertilizer, oxamide, from the diatomics with the two strongest bonds in chemistry. Nitrogen-carbon bonds form the backbone of many important organic molecules, especially those used in the fertilizer and pharamaceutical industries. During the past year, we have continued our work in the synthesis of hydrazines of various substitution …
Date: May 25, 2012
Creator: Chirik, Paul J.
Object Type: Report
System: The UNT Digital Library
Electronic Reconstruction through the Structural and Magnetic Transitions in Detwinned NaFeAs (open access)

Electronic Reconstruction through the Structural and Magnetic Transitions in Detwinned NaFeAs

We use angle-resolved photoemission spectroscopy to study twinned and detwinned iron pnictide compound NaFeAs. Distinct signatures of electronic reconstruction are observed to occur at the structural (T{sub S}) and magnetic (T{sub SDW}) transitions. At T{sub S}, C{sub 4} rotational symmetry is broken in the form of an anisotropic shift of the orthogonal d{sub xz} and d{sub yz} bands. The magnitude of this orbital anisotropy rapidly develops to near completion upon approaching T{sub SDW}, at which temperature band folding occurs via the antiferromagnetic ordering wave vector. Interestingly, the anisotropic band shift onsetting at T{sub S} develops in such a way to enhance the nesting conditions in the C{sub 2} symmetric state, hence is intimately correlated with the long range collinear AFM order. Furthermore, the similar behaviors of the electronic reconstruction in NaFeAs and Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} suggests that this rapid development of large orbital anisotropy between T{sub S} and T{sub SDW} is likely a general feature of the electronic nematic phase in the iron pnictides, and the associated orbital fluctuations may play an important role in determining the ground state properties.
Date: May 25, 2012
Creator: Yi, M.; Lu, D. H.; Moore, R. G.; Kihou, K.; Lee, C. H.; Iyo, A. et al.
Object Type: Article
System: The UNT Digital Library
Much Ado about Microbunching: Coherent Bunching in High Brightness Electron Beams (open access)

Much Ado about Microbunching: Coherent Bunching in High Brightness Electron Beams

The push to provide ever brighter coherent radiation sources has led to the creation of correspondingly bright electron beams. With billions of electrons packed into normalized emittances (phase space) below one micron, collective effects may dominate both the preservation and use of such ultra-bright beams. An important class of collective effects is due to density modulations within the bunch, or microbunching. Microbunching may be deleterious, as in the case of the Microbunching Instability (MBI), or it may drive radiation sources of unprecedented intensity, as in the case of Free Electron Lasers (FELs). In this work we begin by describing models of microbunching due to inherent beam shot noise, which sparks both the MBI as well as SLAC's Linac Coherent Light Source, the world's first hard X-ray laser. We first use this model to propose a mechanism for reducing the inherent beam shot noise as well as for predicting MBI effects. We then describe experimental measurements of the resulting microbunching at LCLS, including optical radiation from the MBI, as well as the first gain length and harmonic measurements from a hard X-ray FEL. In the final chapters, we describe schemes that use external laser modulations to microbunch light sources of the …
Date: May 25, 2012
Creator: Ratner, Daniel & /SLAC, /Stanford U.
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Synthetic Catalysts for CO2 Storage (open access)

Synthetic Catalysts for CO2 Storage

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of synthetic catalysts as part of the "Catalytic Improvement of Solvent Capture Systems" project.
Date: May 25, 2012
Creator: Lawrence Livermore National Laboratory
Object Type: Text
System: The UNT Digital Library
Cryogenic Carbon Capture (open access)

Cryogenic Carbon Capture

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses a process for carbon capture through desublimation as part of the "Cryogenic Carbon Capture" project.
Date: May 25, 2012
Creator: Sustainable Energy Solutions
Object Type: Text
System: The UNT Digital Library
Chemically Accelerated Carbon Mineralization (open access)

Chemically Accelerated Carbon Mineralization

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses turning carbon dioxide exhaust into a solid as part of the "Chemical and Biological Catalytic Enhancement of Weathering of Silicate Minerals as Novel Carbon Capture and Storage" project.
Date: May 25, 2012
Creator: Columbia University
Object Type: Text
System: The UNT Digital Library
Low-Cost Superconducting Wire for Wind Generators (open access)

Low-Cost Superconducting Wire for Wind Generators

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses a high-current superconducting wire as part of the "High Performance, Low Cost Superconducting Wires and Coils for High Power Wind Generators" project.
Date: May 25, 2012
Creator: University of Houston
Object Type: Text
System: The UNT Digital Library
Advanced Metal-Hydrides-Based Thermal Battery (open access)

Advanced Metal-Hydrides-Based Thermal Battery

Advanced Research Projects Agency-Energy project sheet summarizing general information about the High Energy Advanced Thermal Storage (HEATS) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses an advanced metal-hydrides-based thermal battery as part of the "A New Generation of High Density Thermal Battery Based on Advanced Metal Hydrides" project.
Date: May 25, 2012
Creator: University of Utah
Object Type: Text
System: The UNT Digital Library
Rare-Earth-Free Traction Motor (open access)

Rare-Earth-Free Traction Motor

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses a new type of traction motor for electric vehicles as part of the "Rare Earth-Free Traction Motor for Electric Vehicle Applications" project.
Date: May 25, 2012
Creator: Baldor Electric Company
Object Type: Text
System: The UNT Digital Library
Better Enzymes for Carbon Capture (open access)

Better Enzymes for Carbon Capture

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of carbonic anhydrases enzymes as part of the "Low-Cost Biological Catalyst to Enable Efficient Carbon Dioxide Capture" project.
Date: May 25, 2012
Creator: Codexis, Inc.
Object Type: Text
System: The UNT Digital Library
Efficient, High-Torque Electric Vehicle Motor (open access)

Efficient, High-Torque Electric Vehicle Motor

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses a new type of electric motor as part of the "Advanced Electric Vehicle Motors with Low or No Rare Earth Content" project.
Date: May 25, 2012
Creator: QM Power, Inc.
Object Type: Text
System: The UNT Digital Library
CO2 Capture Using Electrical Energy (open access)

CO2 Capture Using Electrical Energy

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of a process to separate and store carbon dioxide as part of the"Electrochemically Mediated Separation for Carbon Capture and Mitigation" project.
Date: May 25, 2012
Creator: Massachusetts Institute of Technology
Object Type: Text
System: The UNT Digital Library
Thermal Batteries for Electric Vehicles (open access)

Thermal Batteries for Electric Vehicles

Advanced Research Projects Agency-Energy project sheet summarizing general information about the High Energy Advanced Thermal Storage (HEATS) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses modular high-energy, low-cost thermal storage as part of the "Thermal Batteries for Electric Vehicles" project.
Date: May 25, 2012
Creator: University of Texas at Austin
Object Type: Text
System: The UNT Digital Library
Phase-Changing Ionic Liquids (open access)

Phase-Changing Ionic Liquids

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of lower-energy carbon capture as part of the "CO2 Capture with Ionic Liquids Involving Phase Change" project.
Date: May 25, 2012
Creator: University of Notre Dame
Object Type: Text
System: The UNT Digital Library
Rare-Earth-Free Nanostructure Magnets (open access)

Rare-Earth-Free Nanostructure Magnets

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of composite materials made of iron and manganese as part of the "Rare-Earth-Free Permanent Magnets for Electric Vehicle Motors and Wind Turbine Generators: Hexagonal Symmetry Based Materials Systems Mn-Bi and M-type Hexaferrite" project.
Date: May 25, 2012
Creator: University of Alabama
Object Type: Text
System: The UNT Digital Library
Carbon-Based Magnets (open access)

Carbon-Based Magnets

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses a new type of magnet for power generators and motors as part of the "Discovery & Design of Novel Permanent Magnets using Non-strategic Elements having Secure Supply Chains" project.
Date: May 25, 2012
Creator: Virginia Commonwealth University
Object Type: Text
System: The UNT Digital Library
Carbon Capture Technology (open access)

Carbon Capture Technology

Advanced Research Projects Agency-Energy project sheet summarizing general information about the 15 projects that are a part of the Innovative Materials and Processes for Advanced Carbon Capture Technologies (IMPACCT) program including project goals, innovation needs, and potential impacts.
Date: May 25, 2012
Creator: United States. Advanced Research Projects Agency-Energy.
Object Type: Text
System: The UNT Digital Library
Efficient Phase-Change Materials (open access)

Efficient Phase-Change Materials

Advanced Research Projects Agency-Energy project sheet summarizing general information about the High Energy Advanced Thermal Storage (HEATS) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of cost-effective thermal energy storage through the use of high-temperature phase-change materials as part of the "Development of a Low-Cost Thermal Energy Storage System Using Phase-Change Materials with Enhanced Radiation Heat Transfer" project.
Date: May 25, 2012
Creator: University of South Florida
Object Type: Text
System: The UNT Digital Library
Manganese-Aluminum-Based Magnets (open access)

Manganese-Aluminum-Based Magnets

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses the development of specialized magnetic alloys as part of the "Nanocrystalline t-MnAI Permanent Magnets" project.
Date: May 25, 2012
Creator: Dartmouth College
Object Type: Text
System: The UNT Digital Library
Cerium-Based Magnets (open access)

Cerium-Based Magnets

Advanced Research Projects Agency-Energy project sheet summarizing general information about the Rare Earth Alternatives in Critical Technologies (REACT) program including critical needs, innovation and advantages, impacts, and contact information. This sheet discusses magnets made of cerium as part of the "Novel High Energy Permanent Magnet Without Critical Elements" project.
Date: May 25, 2012
Creator: Ames Laboratory
Object Type: Text
System: The UNT Digital Library
Radiocarbon Dating (open access)

Radiocarbon Dating

Abstract: Radiocarbon dating can be used to determine the age of objects that contain components that were once alive. In the case of human remains, a radiocarbon date can distinguish between a crime scene and an archaeological site. Documents, museum artifacts and art objects can be dated to determine if their age is correct for the historical context. A radiocarbon date does not confirm authenticity, but it can help identify a forgery.
Date: May 25, 2012
Creator: Buchholz, Bruce A.
Object Type: Book Chapter
System: The UNT Digital Library