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Adaptive Localization Regions for O(N) Density Functional Theory (open access)

Adaptive Localization Regions for O(N) Density Functional Theory

A linear scaling approach for general and accurate pseudopotential Density Functional Theory calculations is presented. It is based on a Finite Difference discretization. Effective O(N) scaling is achieved by confining the orbitals in spherical localization regions. To improve accuracy and flexibility while computing the smallest possible number of orbitals, we propose an algorithm to adapt localization regions during computation. Numerical results for a polyacethylene chain and a magnesium oxide ring are presented.
Date: January 15, 2008
Creator: Fattebert, J
Object Type: Article
System: The UNT Digital Library
The Altus Times (Altus, Okla.), Vol. 109, No. 194, Ed. 1 Tuesday, January 15, 2008 (open access)

The Altus Times (Altus, Okla.), Vol. 109, No. 194, Ed. 1 Tuesday, January 15, 2008

Daily newspaper from Altus, Oklahoma that includes local, state, and national news along with advertising.
Date: January 15, 2008
Creator: Bush, Michael
Object Type: Newspaper
System: The Gateway to Oklahoma History
Antisense oligodeoxynucleotide inhibition as a potent diagnostic tool for gene function in plant biology (open access)

Antisense oligodeoxynucleotide inhibition as a potent diagnostic tool for gene function in plant biology

Antisense oligodeoxynucleotide (ODN) inhibition emerges as an effective means for probing gene function in plant cells. Employing this method we have established the importance of the SUSIBA2 transcription factor for regulation of starch synthesis in barley endosperm, and arrived at a model for the role of the SUSIBAs in sugar signaling and source-sink commutation during cereal endosperm development. In this addendum we provide additional data demonstrating the suitability of the antisense ODN technology in studies on starch branching enzyme activities in barley leaves. We also comment on the mechanism for ODN uptake in plant cells. Antisense ODNs are short (12-25 nt-long) stretches of single-stranded ODNs that hybridize to the cognate mRNA in a sequence-specific manner, thereby inhibiting gene expression. They are naturally occurring in both prokaryotes and eukaryotes where they partake in gene regulation and defense against viral infection. The mechanisms for antisense ODN inhibition are not fully understood but it is generally considered that the ODN either sterically interferes with translation or promotes transcript degradation by RNase H activation. The earliest indication of the usefulness of antisense ODN technology for the purposes of molecular biology and medical therapy was the demonstration in 1978 that synthetic ODNs complementary to Raos …
Date: January 15, 2008
Creator: Jansson, Christer; Sun, Chuanxin; Ghebramedhin, Haile; Hoglund, Anna-Stina & Jansson, Christer
Object Type: Article
System: The UNT Digital Library
The Baytown Sun (Baytown, Tex.), Vol. 88, No. 15, Ed. 1 Tuesday, January 15, 2008 (open access)

The Baytown Sun (Baytown, Tex.), Vol. 88, No. 15, Ed. 1 Tuesday, January 15, 2008

Daily newspaper from Baytown, Texas that includes local, state, and national news along with advertising.
Date: January 15, 2008
Creator: Clements, Clifford E.
Object Type: Newspaper
System: The Portal to Texas History
The Boerne Star (Boerne, Tex.), Vol. 102, No. 5, Ed. 1 Tuesday, January 15, 2008 (open access)

The Boerne Star (Boerne, Tex.), Vol. 102, No. 5, Ed. 1 Tuesday, January 15, 2008

Semiweekly newspaper from Boerne, Texas that includes local, state, and national news along with advertising.
Date: January 15, 2008
Creator: Cartwright, Brian
Object Type: Newspaper
System: The Portal to Texas History
Bosnia and the European Union Military Force (EUFOR): Post-NATO Peacekeeping (open access)

Bosnia and the European Union Military Force (EUFOR): Post-NATO Peacekeeping

This report is about the background of Stabilization Force(SFOR) and peace stabilization duties handed over to a European Union force(EUFOR).
Date: January 15, 2008
Creator: Kim, Julie
Object Type: Report
System: The UNT Digital Library
The Circumstances In Which an Officer May Ask Questions Concerning Alienage (open access)

The Circumstances In Which an Officer May Ask Questions Concerning Alienage

This report provides a short overview of the circumstances in which a law enforcement officer may ask questions concerning alienage. This report does not discuss custodial interrogations.
Date: January 15, 2008
Creator: Kim, Yule
Object Type: Report
System: The UNT Digital Library
Community Oriented Policing Services (COPS): Background, Legislation, and Issues (open access)

Community Oriented Policing Services (COPS): Background, Legislation, and Issues

This report mainly discusses Background, Legislation, and Issues of Community Oriented Policing Services (COPS) . COPS was created by title I of the violent crime control and law enforcement act of 1994.
Date: January 15, 2008
Creator: James, Nathan
Object Type: Report
System: The UNT Digital Library
Congressional Nominations to U.S. Service Academies: An Overview and Resources for Outreach and Management (open access)

Congressional Nominations to U.S. Service Academies: An Overview and Resources for Outreach and Management

This report describes statutory requirements for allocating congressional nominations to service academies and identifies the qualifications that must be met by potential nominees, as established by statute and each academy. Sample documents that could be used by congressional offices at various stages of the nomination selection process are included.
Date: January 15, 2008
Creator: Petersen, R. E.
Object Type: Report
System: The UNT Digital Library
The Constitutional Law of Property Rights ”Takings”: An Introduction (open access)

The Constitutional Law of Property Rights ”Takings”: An Introduction

This report introduces the Takings Clause of the Fifth Amendment. It focuses on the Takings Clause in the U.S. Constitution, which applies both to the federal government and, through the Fourteenth Amendment Due Process Clause, to states and localities.
Date: January 15, 2008
Creator: Meltz, Robert
Object Type: Report
System: The UNT Digital Library
The continental margin is a key source of iron to the HNLC North Pacific Ocean (open access)

The continental margin is a key source of iron to the HNLC North Pacific Ocean

Here we show that labile particulate iron and manganese concentrations in the upper 500m of the Western Subarctic Pacific, an iron-limited High Nutrient Low Chlorophyll (HNLC) region, have prominent subsurface maxima between 100-200 m, reaching 3 nM and 600 pM, respectively. The subsurface concentration maxima in particulate Fe are characterized by a more reduced oxidation state, suggesting a source from primary volcagenic minerals such as from the Kuril/Kamchatka margin. The systematics of these profiles suggest a consistently strong lateral advection of labile Mn and Fe from redox-mobilized labile sources at the continental shelf supplemented by a more variable source of Fe from the upper continental slope. This subsurface supply of iron from the continental margin is shallow enough to be accessible to the surface through winter upwelling and vertical mixing, and is likely a key source of bioavailable Fe to the HNLC North Pacific.
Date: January 15, 2008
Creator: Lam, P. J. & Bishop, J. K. B
Object Type: Article
System: The UNT Digital Library
Critical Infrastructures: Background, Policy, and Implementation (open access)

Critical Infrastructures: Background, Policy, and Implementation

This report discusses in more detail the evolution of a national critical infrastructure policy and the institutional structures established to implement it. The report highlights five issues of Congressional concern: identifying critical assets; assessing vulnerabilities and risks; allocating resources; information sharing; and, regulation.
Date: January 15, 2008
Creator: Moteff, John D.
Object Type: Report
System: The UNT Digital Library
CRITICALITY SAFETY OF PROCESSING SALT SOLUTION AT SRS (open access)

CRITICALITY SAFETY OF PROCESSING SALT SOLUTION AT SRS

High level radioactive liquid waste generated as a result of the production of nuclear material for the United States defense program at the Savannah River Site has been stored as 36 million gallons in underground tanks. About ten percent of the waste volume is sludge, composed of insoluble metal hydroxides primarily hydroxides of Mn, Fe, Al, Hg, and most radionuclides including fission products. The remaining ninety percent of the waste volume is saltcake, composed of primarily sodium (nitrites, nitrates, and aluminates) and hydroxides. Saltcakes account for 30% of the radioactivity while the sludge accounts for 70% of the radioactivity. A pilot plant salt disposition processing system has been designed at the Savannah River Site for interim processing of salt solution and is composed of two facilities: the Actinide Removal Process Facility (ARPF) and the Modular Caustic Side Solvent Extraction Unit (MCU). Data from the pilot plant salt processing system will be used for future processing salt at a much higher rate in a new salt processing facility. Saltcake contains significant amounts of actinides, and other long-lived radioactive nuclides such as strontium and cesium that must be extracted prior to disposal as low level waste. The extracted radioactive nuclides will be …
Date: January 15, 2008
Creator: Stephens, K; Davoud Eghbali, D & Michelle Abney, M
Object Type: Article
System: The UNT Digital Library
Crystal-field level inversion in lightly Mn-doped Sr3Ru2O7 (open access)

Crystal-field level inversion in lightly Mn-doped Sr3Ru2O7

Sr3(Ru1-xMnx)2O7, in which 4d-Ru is substituted by the more localized 3d-Mn, is studied by x-ray dichroism and spin-resolved density functional theory. We find that Mn impurities do not exhibit the same 4+ valence of Ru, but act as 3+ acceptors; the extra eg electron occupies the in-plane 3dx2-y2 orbital instead of the expected out-of-plane 3d3z2-r2. We propose that the 3d-4d interplay, via the ligand oxygen orbitals, is responsible for this crystal-field level inversion and the material's transition to an antiferromagnetic, possibly orbitally ordered, low-temperature state.
Date: January 15, 2008
Creator: Hossain, M. A.; Hu, Z.; Haverkort, M. W.; Burnus, T.; Chang, C. F.; Klein, S. et al.
Object Type: Article
System: The UNT Digital Library
Development of Advanced Electrochemical Emission Spectroscopy for Monitoring Corrosion in Simulated DOE Liquid Waste (open access)

Development of Advanced Electrochemical Emission Spectroscopy for Monitoring Corrosion in Simulated DOE Liquid Waste

Various forms of general and localized corrosion represent principal threats to the integrity of DOE liquid waste storage tanks. These tanks, which are of a single wall or double wall design, depending upon their age, are fabricated from welded carbon steel and contain a complex waste-form comprised of NaOH and NaNO{sub 3}, along with trace amounts of phosphate, sulfate, carbonate, and chloride. Because waste leakage can have a profound environmental impact, considerable interest exists in predicting the accumulation of corrosion damage, so as to more effectively schedule maintenance and repair. The different tasks that are being carried out under the current program are as follows: (1) Theoretical and experimental assessment of general corrosion of iron/steel in borate buffer solutions by using electrochemical impedance spectroscopy (EIS), ellipsometry and XPS techniques; (2) Development of a damage function analysis (DFA) which would help in predicting the accumulation of damage due to pitting corrosion in an environment prototypical of DOE liquid waste systems; (3) Experimental measurement of crack growth rate, acoustic emission signals and coupling currents for fracture in carbon and low alloy steels as functions of mechanical (stress intensity), chemical (conductivity), electrochemical (corrosion potential, ECP), and microstructural (grain size, precipitate size, etc) variables …
Date: January 15, 2008
Creator: Macdonald, Digby D.; Marx, Brian M.; Ahn, Sejin; Ruiz, Julio de; Soundararaja, Balaji; Smith, Morgan et al.
Object Type: Report
System: The UNT Digital Library
Edward Byrne Memorial Justice Assistance Grant Program: Legislative and Funding History (open access)

Edward Byrne Memorial Justice Assistance Grant Program: Legislative and Funding History

None
Date: January 15, 2008
Creator: James, Nathan
Object Type: Report
System: The UNT Digital Library
The Express-Star (Chickasha, Okla.), Ed. 1 Tuesday, January 15, 2008 (open access)

The Express-Star (Chickasha, Okla.), Ed. 1 Tuesday, January 15, 2008

Daily newspaper from Chickasha, Oklahoma that includes local, state, and national news along with advertising.
Date: January 15, 2008
Creator: Wilson, Chris
Object Type: Newspaper
System: The Gateway to Oklahoma History

Faculty Recital: 2008-01-15 - William Scharnberg, horn

Access: Use of this item is restricted to the UNT Community
Faculty recital presented at the UNT College of Music Recital Hall.
Date: January 15, 2008
Creator: Scharnberg, William; Serrin, Bret & Sundquist, David
Object Type: Sound
System: The UNT Digital Library
Gamma Ray Multiplicity of 252Cf Spontaneous Fission using LiBerACE (open access)

Gamma Ray Multiplicity of 252Cf Spontaneous Fission using LiBerACE

We are studying the gamma ray and neutron multiplicity of various fission processes, beginning with the spontaneous fission of {sup 252}Cf, for a variety of basic and applied science purposes. The Livermore-Berkeley Array for Collaborative Experiments (LiBerACE) consists of six high-purity germanium Clover detectors (HPGe) each enclosed by an array of 16 bismuth-germanate (BGO) detectors. These detectors were arranged in a cubic pattern around a 1 {micro}Ci {sup 252}Cf source to attempt to cover as much solid angle of gamma ray emission as possible with a high level of segmentation. The single-gamma detector response function is determined at several energies by tagging in a HPGe detector on the photopeak of one of two gamma rays in two-gamma ray calibration sources and observing the multiplicity of the remainder of the array. Summing these single-gamma responses in groups yields the response function of the array to higher multiplicity events, which are convolved with multiplicity distributions from theoretical models and compared to the measured results to test the models validity.
Date: January 15, 2008
Creator: Bleuel, D L; Bernstein, L A; Burke, J T; Heffner, M D; Norman, E B; Scielzo, N D et al.
Object Type: Article
System: The UNT Digital Library
Greensheet (Houston, Tex.), Vol. 38, No. 589, Ed. 1 Tuesday, January 15, 2008 (open access)

Greensheet (Houston, Tex.), Vol. 38, No. 589, Ed. 1 Tuesday, January 15, 2008

Free weekly newspaper that includes business and classified advertising.
Date: January 15, 2008
Creator: unknown
Object Type: Newspaper
System: The Portal to Texas History
Greensheet (Houston, Tex.), Vol. 38, No. 590, Ed. 1 Tuesday, January 15, 2008 (open access)

Greensheet (Houston, Tex.), Vol. 38, No. 590, Ed. 1 Tuesday, January 15, 2008

Free weekly newspaper that includes business and classified advertising.
Date: January 15, 2008
Creator: unknown
Object Type: Newspaper
System: The Portal to Texas History
Grid Computing Education Support (open access)

Grid Computing Education Support

The GGF Student Scholar program enabled GGF the opportunity to bring over sixty qualified graduate and under-graduate students with interests in grid technologies to its three annual events over the three-year program.
Date: January 15, 2008
Creator: Crumb, Steven
Object Type: Report
System: The UNT Digital Library
Ground Penetrating Radar in Hydrogeophysics (open access)

Ground Penetrating Radar in Hydrogeophysics

To meet the needs of a growing population and to provide us with a higher quality of life, increasing pressures are being placed on our environment through the development of agriculture, industry, and infrastructures. Soil erosion, groundwater depletion, salinization, and pollution have been recognized for decades as major threats to ecosystems and human health. More recently, the progressive substitution of fossil fuels by biofuels for energy production and climate change have been recognized as potential threats to our water resources and sustained agricultural productivity. The vadose zone mediates many of the processes that govern water resources and quality, such as the partition of precipitation into infiltration and runoff , groundwater recharge, contaminant transport, plant growth, evaporation, and energy exchanges between the Earth's surface and its atmosphere. It also determines soil organic carbon sequestration and carbon-cycle feedbacks, which could substantially impact climate change. The vadose zone's inherent spatial variability and inaccessibility precludes direct observation of the important subsurface processes. In a societal context where the development of sustainable and optimal environmental management strategies has become a priority, there is a strong prerequisite for the development of noninvasive characterization and monitoring techniques of the vadose zone. In particular, hydrogeophysical approaches applied at …
Date: January 15, 2008
Creator: Hubbard, Susan; Lambot, S.; Binley, A.; Slob, E. & Hubbard, S.
Object Type: Article
System: The UNT Digital Library
Hanford Tank 241-C-103 Residual Waste Contaminant Release Models and Supporting Data (open access)

Hanford Tank 241-C-103 Residual Waste Contaminant Release Models and Supporting Data

This report tabulates data generated by laboratory characterization and testing of three samples collected from tank C-103. The data presented here will form the basis for a release model that will be developed for tank C-103. These release models are being developed to support the tank risk assessments performed by CH2M HILL Hanford Group, Inc. for DOE.
Date: January 15, 2008
Creator: Cantrell, Kirk J.; Krupka, Kenneth M.; Deutsch, William J.; Lindberg, Michael J.; Schaef, Herbert T.; Geiszler, Keith N. et al.
Object Type: Report
System: The UNT Digital Library