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Structure Factors And Their Distributions In Driven Two-Species Models, G. Korniss, Beate Schmittmann Oct 1997

Structure Factors And Their Distributions In Driven Two-Species Models, G. Korniss, Beate Schmittmann

Beate Schmittmann

We study spatial correlations and structure factors in a three-state stochastic lattice gas, consisting of holes and two oppositely “charged” species of particles, subject to an “electric” field at zero total charge. The dynamics consists of two nearest-neighbor exchange processes, occurring on different times scales, namely, particle-hole and particle-particle exchanges. Using both Langevin equations and Monte Carlo simulations, we study the steady-state structure factors and correlation functions in the disordered phase, where density profiles are homogeneous. In contrast to equilibrium systems, the average structure factors here show a discontinuity singularity at the origin. The associated spatial correlation functions exhibit intricate …


Segregation Of Bismuth To Triple Junctions In Copper, K.-M. Yin, Alexander H. King, T.E. Hsieh, F.-R. Chen, J.J. Kai, L. Chang Sep 1997

Segregation Of Bismuth To Triple Junctions In Copper, K.-M. Yin, Alexander H. King, T.E. Hsieh, F.-R. Chen, J.J. Kai, L. Chang

Alexander H. King

Bismuth segregation in copper has been studied using energy-dispersive X-ray spectrometry (EDX) in a JEOL 2010F transmission electron microscope. In addition to the expected solute enrichment at grain boundaries, we have observed extremely high concentrations of bismuth at certain triple junctions, with significantly greater enrichment factors than in the adjacent grain boundaries. It is shown here that the triple junction segregation is a function of the parameters of the grain boundaries at the triple line, and existence of this type of segregation implies that the affected triple junctions embody excess free energy. At least one of the observed triple junctions …


Vibrational Spectra In Ordered And Disordered Ni3al, Jeffrey D. Althoff, Dane Morgan, Didier De Fontaine, Mark Asta, S. M. Foiles, Duane D. Johnson Sep 1997

Vibrational Spectra In Ordered And Disordered Ni3al, Jeffrey D. Althoff, Dane Morgan, Didier De Fontaine, Mark Asta, S. M. Foiles, Duane D. Johnson

Duane D. Johnson

We calculate the vibrational density of states (DOS) and corresponding thermodynamic properties of L12 ordered and disordered Ni3Al in the quasiharmonic approximation using the embedded-atom method. Vibrational and thermodynamic properties, including vibrational entropy differences between ordered and disordered states, are found to be in good agreement with experiment. The DOS of the configurationally disordered alloy resembles a broadened version of the DOS of the L12 phase, not a one-atom per cell fcc DOS, and is shifted downward in frequency because the disordered state has a larger volume than the ordered phase. Calculations of the projected DOS indicate that high-frequency modes …


Predicting Modes Of Toxic Action From Chemical Structure: Acute Toxicity In The Fathead Minnow (Pimephales Promelas), Steven P. Bradbury, Christine L. Russom, Steven J. Broderius, Dean E. Hammermeister, Robert A. Drummond May 1997

Predicting Modes Of Toxic Action From Chemical Structure: Acute Toxicity In The Fathead Minnow (Pimephales Promelas), Steven P. Bradbury, Christine L. Russom, Steven J. Broderius, Dean E. Hammermeister, Robert A. Drummond

Steven P. Bradbury

In the field of aquatic toxicology, quantitative structure-activity relationships (QSARs) have developed as scientifically credible models for predicting the toxicity of chemicals when little or no empirical data are available. In recent years, there has been an evolution of QSAR development and application from that of a chemical-class perspective to one that is more consistent with assumptions regarding modes of toxic action. The objective of this research was to develop procedures that relate modes of acute toxic action in the fathead minnow (Pimephales promelas) to chemical structures and properties. An empirically derived database for diverse chemical structures of acute toxicity …


Experimental And Theoretical Investigations Of Order-Disorder In Cu2almn, Duane D. Johnson, M. Asta, J. J. Hoyt, B. C. Chakoumakos, S. T. Misture, J. D. Althoff, R. Mccormack May 1997

Experimental And Theoretical Investigations Of Order-Disorder In Cu2almn, Duane D. Johnson, M. Asta, J. J. Hoyt, B. C. Chakoumakos, S. T. Misture, J. D. Althoff, R. Mccormack

Duane D. Johnson

A combination of X-ray and neutron powder diffraction has been used to measure the two long range order parameters vs. temperature below the disorder-B2 transition in the ternary alloy Cu2 AlMn. The results indicate that at temperatures just below the critical point the Al + Mn sublattice is enriched in Al. First-principles calculations based on only the atomic numbers of Cu, Mn and Al support the experimentally-observed preference of Al for the Al + Mn sublattice, and reveal the interplay between the constituent binary systems that gives rise to this behavior.


Acute Toxicity And Behavioral Effects Of Chlorpyrifos, Permethrin, Phenol, Strychnine, And 2,4-Dinitrophenol To 30-Day-Old Japanese Medaka (Oryzias Latipes), Steven P. Bradbury, Patricia J. Rice, Charles D. Drewes, Theresa M. Klubertanz, Joel R. Coats Apr 1997

Acute Toxicity And Behavioral Effects Of Chlorpyrifos, Permethrin, Phenol, Strychnine, And 2,4-Dinitrophenol To 30-Day-Old Japanese Medaka (Oryzias Latipes), Steven P. Bradbury, Patricia J. Rice, Charles D. Drewes, Theresa M. Klubertanz, Joel R. Coats

Steven P. Bradbury

Five chemicals with different modes of action were evaluated in laboratory studies to determine their acute toxicity (48-h median lethal concentration [LC50]) and behavioral effects on 30-d-old Japanese medaka (Oryzias latipes). The order of toxicity for these xenobiotics was permethrin > chlorpyrifos > 2,4-dinitrophenol (2,4-DNP) > strychnine > phenol. The 48-h LC50s were significantly different and ranged from 0.011 to 24.1 mg/L. In addition, chlorpyrifos and permethrin accumulated in the tissues of juvenile O. latipes. Observations of five behavioral/morphological responses, including changes in equilibrium, general activity, startle response, and morphology (e.g., hemorrhage and deformities) were used as indicators of sublethal toxicity. Each chemical, with …


Identification Of A Fish Host Of The Inflated Heelsplitter Potamilus Inflatus( Bivalvia: Unionidae) With A Description Of Its Glochidium, Kevin J. Roe, Andrew M. Simons, Paul Hartfield Jan 1997

Identification Of A Fish Host Of The Inflated Heelsplitter Potamilus Inflatus( Bivalvia: Unionidae) With A Description Of Its Glochidium, Kevin J. Roe, Andrew M. Simons, Paul Hartfield

Kevin J. Roe

A survey of the fishes of the lack Warrior River was undertaken to determine fish host(s) of the federally threatened inflated heelsplitter, Potamilus inflatus. Seven hundred-twenty individual fishes representing 30 species were examined; mussel glochidia were found on 10 individual fishes representing nine species. Potamilus inflatus glochidia were only found infesting one freshwater drum (Aplodinotus grunniens), which is concordant with previous findings for the genus Potamilus. The morphology of P. inflatus glochidia is described and compared to P. purpuratus.


Processing Small Quantities Of Walnut Logs For Lumber And Craft Items, Douglas D. Stokke, Peter Y. S. Chen, J. W. Van Sambeek Jan 1997

Processing Small Quantities Of Walnut Logs For Lumber And Craft Items, Douglas D. Stokke, Peter Y. S. Chen, J. W. Van Sambeek

Douglas D. Stokke

Many walnut plantation owners and woodworking hobbyists would like to process small quantities of walnut logs into lumber and discs for furniture and craft items. Various options exist for sawing, drying, and processing small diameter or short logs into lumber and cross-sectional discs. Portable band saws are a safe and inexpensive log breakdown option to commercial headsaw mills. Processing using the saw-dry-rip method will yield higher quantities of usable lumber from small diameter logs than the conventional saw-rip-dry method. Small quantities of lumber and discs can be inexpensively air dried under shelters or open sheds followed by approximately 15 to …


The Silviculture-Wood Quality Connection In Eastern Black Walnut, Douglas D. Stokke, Bruce E. Cutter, John E. Phelps Jan 1997

The Silviculture-Wood Quality Connection In Eastern Black Walnut, Douglas D. Stokke, Bruce E. Cutter, John E. Phelps

Douglas D. Stokke

The known effects of silvicultural practices on eastern black walnut (Juglans nigra L.) wood quality are reviewed. Since desirable quality differs from end user to end user, no specific recommendations are made.


Risk Analysis Of Black Walnut And Red Oak Plantations, Douglas D. Stokke, Stephen H. Kolison Jr., Jianbang Gan Jan 1997

Risk Analysis Of Black Walnut And Red Oak Plantations, Douglas D. Stokke, Stephen H. Kolison Jr., Jianbang Gan

Douglas D. Stokke

Risks and uncertainties are prevalent in timber production due to the nature and length of the production process. This paper examines the volatility of timber prices and the effects of some economic uncertainties and risks such as fluctuations in timber prices and the interest rate on the economic returns of black walnut and red oak plantations. Historical patterns of timber prices for black walnut and oaks are investigated and compared with those of other timber species and stock price. The sensitivity of economic returns from black walnut and red oak plantations to changes in timber prices and the discount rate …


A Computationally-Based Hazard Identification Algorithm That Incorporates Ligand Flexibility. 1. Identification Of Potential Androgen Receptor Ligands, Steven P. Bradbury, Ovanes Mekenyan, Julian Ivanov, Stoyan Karabunarliev, Gerald T. Ankley, Walter Karcher Jan 1997

A Computationally-Based Hazard Identification Algorithm That Incorporates Ligand Flexibility. 1. Identification Of Potential Androgen Receptor Ligands, Steven P. Bradbury, Ovanes Mekenyan, Julian Ivanov, Stoyan Karabunarliev, Gerald T. Ankley, Walter Karcher

Steven P. Bradbury

To advance techniques for screening large data sets of diverse structures for toxicologically active compounds, an algorithm was developed that is not dependent upon a predetermined and specified toxicophore or an alignment of conformers to a lead compound. Instead, the approach provides the means to identify and quantify specific global and local stereoelectronic characteristics associated with active compounds through a comparison of energeticallyreasonable conformer distributions for specific descriptors. To illustrate the algorithm, the stereoelectronic requirements associated with the binding affinity of 28 steroidal and non-steroidal ligands to the androgen receptor were defined. Common ranges of interatomic distances, atomic charges, and …


Influence Of Geographic Origin And Soil Properties On Color Of Black Walnut Veneer, Douglas D. Stokke, Edward C. Workman Jr., John E. Phelps, Felix Ponder Jr. Jan 1997

Influence Of Geographic Origin And Soil Properties On Color Of Black Walnut Veneer, Douglas D. Stokke, Edward C. Workman Jr., John E. Phelps, Felix Ponder Jr.

Douglas D. Stokke

Walnut veneer frorn sites in Missouri, Illinois, and Indiana was analyzed for color attributes and chemical properties. Veneer color also was compared to an industry color standard. Soil chemical and physical properties were measured on selected sites in each state. In general, walnut trees grown on soils with equal proportions of sand, silt, and clay have better veneer color attributes than trees grown on soils with high clay I sand or clay I silt ratios.


The S0 State Of The Oxygen-Evolving Complex In Photosystem Ii Is Paramagnetic:  Detection Of An Epr Multiline Signal, Johannes Messinger, John H. Robblee, Edward Yu, Kenneth Sauer, Vittal K. Yachandra, Melvin P. Klein Jan 1997

The S0 State Of The Oxygen-Evolving Complex In Photosystem Ii Is Paramagnetic:  Detection Of An Epr Multiline Signal, Johannes Messinger, John H. Robblee, Edward Yu, Kenneth Sauer, Vittal K. Yachandra, Melvin P. Klein

Edward Yu

The photosynthetic oxidation of water to molecular oxygen is energetically driven by light-induced charge separations in the reaction center of photosystem II (PS II). The reaction is catalyzed by a tetranuclear manganese cluster contained in the oxygen-evolving complex (OEC). The OEC cycles through five different redox states termed S0 to S4, with S1 being the darkstable state. Oxygen is released during the S4 f S0 transition.1 The removal of one electron from the OEC on each S state transition leads to the idea that alternate S states should be paramagnetic because of their odd-electron number. The multiline EPR signal, which …


Sensors For Site-Specific Management, Stuart J. Birrell, J. W. Hummel, K. A. Sudduth Jan 1997

Sensors For Site-Specific Management, Stuart J. Birrell, J. W. Hummel, K. A. Sudduth

Stuart J. Birrell

Site-specific management (SSM, also known as precision farming, precision agriculture, prescription farming, etc.) is a management strategy that seeks to address within-field variability and to optimize inputs such as pesticides and fertilizers on a point-by-point basis within a field. By reducing over-application and under-application of nutrients and pesticides, this strategy has the potential to improve profitability for the producer and also to reduce the threat of groundwater or surface water contamination from agrichemicals. SSM is being adopted by innovative producers across the country. Agricultural equipment manufacturers, farm input suppliers, and a host of other businesses are working along with publicsector …