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Articles 1 - 26 of 26
Full-Text Articles in Physical Sciences and Mathematics
Opinion Formation On Adaptive Networks With Intensive Average Degree, Beate Schmittmann, Abhishek Mukhopadhyay
Opinion Formation On Adaptive Networks With Intensive Average Degree, Beate Schmittmann, Abhishek Mukhopadhyay
Beate Schmittmann
We study the evolution of binary opinions on a simple adaptive network of N nodes. At each time step, a randomly selected node updates its state (“opinion”) according to the majority opinion of the nodes that it is linked to; subsequently, all links are reassigned with probability p̃ (q̃ ) if they connect nodes with equal (opposite) opinions. In contrast to earlier work, we ensure that the average connectivity (“degree”) of each node is independent of the system size (“intensive”), by choosing p̃ and q̃ to be of O(1/N). Using simulations and analytic arguments, we determine the final steady states …
Attribution Of Spatial And Temporal Variations In Terrestrial Methane Flux Over North America, X. F. Xu, Hanqin Tian, C. Zhang, M. L. Liu, Wei Ren, G. S. Chen, Chaoqun (Crystal) Lu, L. Bruhwiler
Attribution Of Spatial And Temporal Variations In Terrestrial Methane Flux Over North America, X. F. Xu, Hanqin Tian, C. Zhang, M. L. Liu, Wei Ren, G. S. Chen, Chaoqun (Crystal) Lu, L. Bruhwiler
Chaoqun (Crystal) Lu
The attribution of spatial and temporal variations in terrestrial methane (CH4) flux is essential for assessing and mitigating CH4 emission from terrestrial ecosystems. In this study, we used a process-based model, the Dynamic Land Ecosystem Model (DLEM), in conjunction with spatial data of six major environmental factors to attribute the spatial and temporal variations in the terrestrial methane (CH4) flux over North America from 1979 to 2008 to six individual driving factors and their interaction. Over the past three decades, our simulations indicate that global change factors accumulatively contributed 23.51 ± 9.61 T g CH4-C (1 Tg = 1012 g) …
Genetic Analysis Of The Federally Endangered Winged Mapleleaf Mussel To Aid Proposed Re-Introduction Efforts, Kevin J. Roe
Genetic Analysis Of The Federally Endangered Winged Mapleleaf Mussel To Aid Proposed Re-Introduction Efforts, Kevin J. Roe
Kevin J. Roe
The winged mapleleaf, Quadrula fragosa, historically occurred in the Mississippi, Tennessee, Ohio, and Cumberland river drainages, but has suffered severe population and range reductions. At the time that the species was federally listed as endangered, its range was thought to have been reduced to a stretch of the St. Croix River between northwestern Wisconsin and east-central Minnesota. Recently, morphologically “Q. fragosa-like” specimens were discovered at sites in Arkansas (Ouachita River and Saline River), Missouri (Bourbeuse River), and Oklahoma (Little River). Subsequently, a plan was proposed to re-introduce Q. fragosa into portions of its historic range where its been extirpated from …
Spatial And Temporal Patterns Of Ch4 And N2o Fluxes In Terrestrial Ecosystems Of North America During 1979–2008: Application Of A Global Biogeochemistry Model, Hanqin Tian, X. Xu, M. Liu, Wei Ren, C. Zhang, G. Chen, Chaoqun (Crystal) Lu
Spatial And Temporal Patterns Of Ch4 And N2o Fluxes In Terrestrial Ecosystems Of North America During 1979–2008: Application Of A Global Biogeochemistry Model, Hanqin Tian, X. Xu, M. Liu, Wei Ren, C. Zhang, G. Chen, Chaoqun (Crystal) Lu
Chaoqun (Crystal) Lu
Continental-scale estimations of terrestrial methane (CH4) and nitrous oxide (N2O) fluxes over a long time period are crucial to accurately assess the global balance of greenhouse gases and enhance our understanding and prediction of global climate change and terrestrial ecosystem feedbacks. Using a process-based global biogeochemical model, the Dynamic Land Ecosystem Model (DLEM), we quantified simultaneously CH4 and N2O fluxes in North America's terrestrial ecosystems from 1979 to 2008. During the past 30 years, approximately 14.69 ± 1.64 T g C a−1 (1 T g = 1012 g) of CH4, and 1.94 ± 0.1 T g N a−1 of N2O …
Mechanistically Driven Development Of Iridium Catalysts For Asymmetric Allylic Substitution, John F. Hartwig, Levi M. Stanley
Mechanistically Driven Development Of Iridium Catalysts For Asymmetric Allylic Substitution, John F. Hartwig, Levi M. Stanley
Levi M. Stanley
Enantioselective allylic substitution reactions comprise some of the most versatile methods for preparing enantiomerically enriched materials. These reactions form products that contain multiple functionalities by creating carbon−nitrogen, carbon−oxygen, carbon−carbon, and carbon−sulfur bonds. For many years, the development of catalysts for allylic substitution focused on palladium complexes. However, studies of complexes of other metals have revealed selectivities that often complement those of palladium systems. Most striking is the observation that reactions with unsymmetrical allylic electrophiles that typically occur with palladium catalysts at the less hindered site of an allylic electrophile occur at the more hindered site with catalysts based on other …
Bipolar Electrodes: A Useful Tool For Concentration, Separation, And Detection Of Analytes In Microelectrochemical Systems, François Mavré, Robbyn K. Anand, Derek R. Laws, Kwok-Fan Show, Byoung-Yong Chang, John A. Crooks, Richard M. Crooks
Bipolar Electrodes: A Useful Tool For Concentration, Separation, And Detection Of Analytes In Microelectrochemical Systems, François Mavré, Robbyn K. Anand, Derek R. Laws, Kwok-Fan Show, Byoung-Yong Chang, John A. Crooks, Richard M. Crooks
Robbyn Anand
Over the past decade, bipolar electrochemistry has emerged from relative obscurity to provide a promising new means for integrating electrochemistry into lab-on-a-chip systems. This article describes the fundamental operating principles of bipolar electrodes, as well as several interesting applications. The graphic, by François Mavré, shows the principle of operation of a bipolar electrode within a microfluidic channel overlaid on a background image of electrogenerated chemiluminescence from an array of 1000 bipolar electrodes.
Physical And Chemical Characterization Of Fuel Ethanol Coproducts Relevant To Value-Added Uses, Rumela Bhadra, Kurt A. Rosentrater, Kasiviswanathan Muthukumarappan
Physical And Chemical Characterization Of Fuel Ethanol Coproducts Relevant To Value-Added Uses, Rumela Bhadra, Kurt A. Rosentrater, Kasiviswanathan Muthukumarappan
Kurt A. Rosentrater
One of the fastest growing industries in the United States is the fuel ethanol industry. In terms of ethanol production capability, the industry has grown by more than 600% since the year 2000. The major coproducts from corn-based ethanol include distillers dried grains with solubles (DDGS) and carbon dioxide. DDGS is used as a livestock feed because it contains high quantities of protein, fiber, amino acids, and other nutrients. The goal of this study was to quantify various chemical and physical properties of DDGS, distillers wet grains (DWG), and distillers dried grain (DDG) from several plants in South Dakota. Chemical …
全球变化与陆地系统综合集成模拟 ——新一代陆地生态系统动态模型 (Dlem), 汉勤 田, 明亮 刘, 弛 张, 巍 任, 小锋 徐, 广生 陈, 超群 吕, 波 陶
全球变化与陆地系统综合集成模拟 ——新一代陆地生态系统动态模型 (Dlem), 汉勤 田, 明亮 刘, 弛 张, 巍 任, 小锋 徐, 广生 陈, 超群 吕, 波 陶
Chaoqun (Crystal) Lu
人类社会从陆地生态系统获取生产和生活资料的同时也作为一种干扰形式改变着地气之间的动态平衡。这三个既独立又相互耦合的子系统共同组成了一个复杂的陆地系统。如何深入理解这一系统的过程和机制是人类应对气候变化挑战的前提条件。陆地生态系统模型作为一种集成工具，已广泛应用于全球变化研究的各个领域，但从输入数据到模型结构和过程等诸多方面仍存在很大的不确定性。近年来，随着大气和地面生态观测网络的不断完善以及遥感等空间技术的不断强大，使陆地生态系统模型进一步发展和突破成为可能。新一代多因子驱动的陆地生态系统动态模型(Dynamic Land Ecosystem Model, DLEM) 正是在这一背景下 应运而生的。本文旨在介绍DLEM的主体框架、输入输出变量、关键过程、主要功能和特点。
Cation-Specific And Anion-Specific Abraham Model Correlations For Solute Transfer Into Ionic Liquid Solvents, Laura M. Grubbs, Mariam Saifullah, Nohelli E. De La Rosa, William E. Acree Jr., Michael H. Abraham, Qichao Zhao, Jared L. Anderson
Cation-Specific And Anion-Specific Abraham Model Correlations For Solute Transfer Into Ionic Liquid Solvents, Laura M. Grubbs, Mariam Saifullah, Nohelli E. De La Rosa, William E. Acree Jr., Michael H. Abraham, Qichao Zhao, Jared L. Anderson
Jared L. Anderson
Data have been assembled from the published literature on the infinite dilution activity coefficients and gas solubilities of solutes dissolved in ionic liquid (IL) solvents. In total data for more than 1790 solute-IL pairs were compiled. The published experimental data were converted to gas-to-IL and water-to-IL partition coefficients, and correlated with the ion-specific equation coefficient version of the Abraham general solvation model. Ion-specific equation coefficients were calculated for 19 different cations and 12 different anions. The calculated ion-specific equation coefficients describe the experimental gas-to-IL and water-to-IL partition coefficient data to within 0.114 and 0.139 log units, respectively. Reported for the …
Structural, Magnetic, And Defect Properties Of Co-Pt-Type Magnetic-Storage Alloys: Density-Functional Theory Study Of Thermal Processing Effects, Aftab Alam, Brent Kraczek, Duane D. Johnson
Structural, Magnetic, And Defect Properties Of Co-Pt-Type Magnetic-Storage Alloys: Density-Functional Theory Study Of Thermal Processing Effects, Aftab Alam, Brent Kraczek, Duane D. Johnson
Duane D. Johnson
Using an optimized-basis Korringa-Kohn-Rostoker-coherent-potential approximation method, we calculate formation enthalpies ΔEf, structural, and magnetic properties of paramagnetic (PM) and ferromagnetic, disordered A1 and ordered L10 CoPt, FePd, and FePt systems that are of interest for high-density magnetic-recording media. To address processing effects, we focus on the point defects that dictate thermal properties and planar defects (e.g., c domain and antiphase boundaries) which can serve as pinning centers for magnetic domains and affect storage properties. We determine bulk Curie (Tc) and order-disorder (To-d) transition temperatures within 4% of observed values, and estimates for nanoparticles. Planar-defect energies γhklx show that the favorable …
Iridium-Catalyzed Kinetic Asymmetric Transformations Of Racemic Allylic Benzoates, Levi M. Stanley, Chen Bai, Mitsuhiro Ueda, John F. Hartwig
Iridium-Catalyzed Kinetic Asymmetric Transformations Of Racemic Allylic Benzoates, Levi M. Stanley, Chen Bai, Mitsuhiro Ueda, John F. Hartwig
Levi M. Stanley
Versatile methods for iridium-catalyzed, kinetic asymmetric substitution of racemic, branched allylic esters are reported. These reactions occur with a variety of aliphatic, aryl, and heteroaryl allylic benzoates to form the corresponding allylic substitution products in high yields (74−96%) with good to excellent enantioselectivity (84−98% ee) with a scope that encompasses a range of anionic carbon and heteroatom nucleophiles. These kinetic asymmetric processes occur with distinct stereochemical courses for racemic aliphatic and aromatic allylic benzoates, and the high reactivity of branched allylic benzoates enables enantioselective allylic substitutions that are slow or poorly selective with linear allylic electrophiles.
Model Estimates Of Net Primary Productivity, Evapotranspiration, And Water Use Efficiency In The Terrestrial Ecosystems Of The Southern United States During 1895–2007, Hanqin Tian, Guangsheng Chen, Mingliang Liu, Chi Zhang, Ge Sun, Chaoqun (Crystal) Lu, Xiaofeng Xu, Wei Ren, Shufen Pan, Arthur Chappelka
Model Estimates Of Net Primary Productivity, Evapotranspiration, And Water Use Efficiency In The Terrestrial Ecosystems Of The Southern United States During 1895–2007, Hanqin Tian, Guangsheng Chen, Mingliang Liu, Chi Zhang, Ge Sun, Chaoqun (Crystal) Lu, Xiaofeng Xu, Wei Ren, Shufen Pan, Arthur Chappelka
Chaoqun (Crystal) Lu
The effects of global change on ecosystem productivity and water resources in the southern United States (SUS), a traditionally ‘water-rich’ region and the ‘timber basket’ of the country, are not well quantified. We carried out several simulation experiments to quantify ecosystem net primary productivity (NPP), evapotranspiration (ET) and water use efficiency (WUE) (i.e., NPP/ET) in the SUS by employing an integrated process-based ecosystem model (Dynamic Land Ecosystem Model, DLEM). The results indicated that the average ET in the SUS was 710 mm during 1895–2007. As a whole, the annual ET increased and decreased slightly during the first and second half …
Proteomic Analysis Of Ethene-Enriched Groundwater Microcosms From A Vinyl Chloride-Contaminated Site, Adina S. Chuang, Yang Oh Jin, Laura S. Schmidt, Yalan Li, Samuel Fogel, Donna Smoler, Timothy E. Mattes
Proteomic Analysis Of Ethene-Enriched Groundwater Microcosms From A Vinyl Chloride-Contaminated Site, Adina S. Chuang, Yang Oh Jin, Laura S. Schmidt, Yalan Li, Samuel Fogel, Donna Smoler, Timothy E. Mattes
Adina Howe
Contamination of groundwater with vinyl chloride (VC), a known human carcinogen, is a common environmental problem at plastics manufacturing, dry cleaning, and military sites. At many sites, there is the potential to cleanup VC groundwater plumes with aerobic VC-oxidizing microorganisms (e.g., methanotrophs, etheneotrophs, and VC-assimilating bacteria). Environmental biotechnologies that reveal the presence and activity of VC-oxidizing bacteria in contaminated groundwater samples would provide valuable lines of evidence that bioremediation of VC is occurring at a site. We applied targeted shotgun mass spectrometry-based proteomic methods to ethene-enriched groundwater microcosms from a VC-contaminated site. Polypeptides from the enzymes alkene monooxygenase (EtnC) and …
The Synthesis Of Azaperylene-9,10-Dicarboximides, Brett Vanveller, Kojl Miki, Timorthy M. Swager
The Synthesis Of Azaperylene-9,10-Dicarboximides, Brett Vanveller, Kojl Miki, Timorthy M. Swager
Brett VanVeller
The efficient synthesis of a hydrophilic monomer bearing a three-dimensional noncompliant array of hydroxyl groups is described that prevents water-driven excimer features of hydrophobic poly(p-phenylene ethynylene) backbones. Sensitivity of the polymer to 3-nitrotyrosine is also discussesd.
Optimal Dynamic Policies For Influenza Management, Michael Ludkovski, Jarad Niemi
Optimal Dynamic Policies For Influenza Management, Michael Ludkovski, Jarad Niemi
Jarad Niemi
Management policies for influenza outbreaks balance the expected morbidity and mortality costs versus the cost of intervention policies. We present a methodology for dynamic determination of optimal policies in a completely observed stochastic compartmental model with parameter uncertainty. Our approach is simulation-based and searches the full set of sequential control strategies. For each time point, it generates a policy map describing the optimal intervention to implement as a function of outbreak state and Bayesian parameter posteriors. As a running example, we study a stochastic SIR model with isolation and vaccination as two possible interventions. Numerical simulations based on a classic …
Application Of The Tissue Residue Approach In Ecological Risk Assessment, Steven P. Bradbury, Keith G. Sappington, Todd S. Bridges, Russell J. Erickson, A. Jan Hendriks, Roman P. Lanno, James P. Meador, David R. Mount, Mike H. Salazar, Doug J. Spry
Application Of The Tissue Residue Approach In Ecological Risk Assessment, Steven P. Bradbury, Keith G. Sappington, Todd S. Bridges, Russell J. Erickson, A. Jan Hendriks, Roman P. Lanno, James P. Meador, David R. Mount, Mike H. Salazar, Doug J. Spry
Steven P. Bradbury
The objective of this work is to present a critical review of the application of the tissue residue approach (TRA) in ecological risk and/or impact assessment (ERA) of chemical stressors and environmental criteria development. A secondary goal is to develop a framework for integrating the TRA into ecological assessments along with traditional, exposure concentration-based assessment approaches. Although widely recognized for its toxicological appeal, the utility of the TRA in specific applications will depend on numerous factors, such as chemical properties, exposure characteristics, assessment type, availability of tissue residue-response data, and ability to quantify chemical exposure. Therefore, the decision to use …
Meeting The Common Needs Of A More Effective And Efficient Testing And Assessment Paradigm For Chemical Risk Management, Steven P. Bradbury, Vicki Dellarco, Tala Henry, Phil Sayre, Jennifer Seed
Meeting The Common Needs Of A More Effective And Efficient Testing And Assessment Paradigm For Chemical Risk Management, Steven P. Bradbury, Vicki Dellarco, Tala Henry, Phil Sayre, Jennifer Seed
Steven P. Bradbury
Significant advances have been made in human health and ecological risk assessment over the last decade. Substantial challenges, however, remain in providing credible scientific information in a timely and efficient manner to support chemical risk assessment and management decisions. A major challenge confronting risk managers is the need for critical information to address risk uncertainties in large chemical inventories such as high- and medium-production-volume industrial chemicals or pesticide inert ingredients. From a strategic and tactical viewpoint, an integrated approach that relies on all existing knowledge and uses a range of methods, including those from emerging and novel technologies, is needed …
Vinyl Cations Substituted With Β Π-Donors Have Triplet Ground States, Arthur Winter, Daniel E. Falvey
Vinyl Cations Substituted With Β Π-Donors Have Triplet Ground States, Arthur Winter, Daniel E. Falvey
Arthur Winter
Computations at the CASPT2, CBS-QB3, and B3LYP levels of theory demonstrate that β-substitution of vinyl cations with π-donors switches the ground state of these ions from the familiar closed-shell singlet state to a carbene-like triplet state similar to the electronic state of triplet phenyl cations. Although the parent vinyl cation is a ground-state singlet species with a very large energy gap to the lowest energy triplet state, substituting the β hydrogens with just one strong π-donor (e.g., NH2, NMe2, OMe) or two moderate π-donors (e.g., F, OH, Ar, vinyl) makes the triplet state the computed ground electronic state. In many …
Size Effect Of Ruthenium Nanoparticles In Catalytic Carbon Monoxide Oxidation, Sang Hoon Joo, Jeong Y. Park, J. Russell Renzas, Derek R. Butcher, Wenyu Huang, Gabor A. Somorjai
Size Effect Of Ruthenium Nanoparticles In Catalytic Carbon Monoxide Oxidation, Sang Hoon Joo, Jeong Y. Park, J. Russell Renzas, Derek R. Butcher, Wenyu Huang, Gabor A. Somorjai
Wenyu Huang
Carbon monoxide oxidation over ruthenium catalysts has shown an unusual catalytic behavior. Here we report a particle size effect on CO oxidation over Ru nanoparticle (NP) catalysts. Uniform Ru NPs with a tunable particle size from 2 to 6 nm were synthesized by a polyol reduction of Ru(acac)3 precursor in the presence of poly(vinylpyrrolidone) stabilizer. The measurement of catalytic activity of CO oxidation over two-dimensional Ru NPs arrays under oxidizing reaction conditions (40 Torr CO and 100 Torr O2) showed an activity dependence on the Ru NP size. The CO oxidation activity increases with NP size, and the 6 nm …
Highly Active Heterogeneous Palladium Nanoparticle Catalysts For Homogeneous Electrophilic Reactions In Solution And The Utilization Of A Continuous Flow Reactor, Wenyu Huang, Jack Hung Chang Liu, Pinar Alayoglu, Yimin Li, Cole A. Whitman, Chia-Kuang Tsung, F. Dean Toste, Gabor A/ Somorjai
Highly Active Heterogeneous Palladium Nanoparticle Catalysts For Homogeneous Electrophilic Reactions In Solution And The Utilization Of A Continuous Flow Reactor, Wenyu Huang, Jack Hung Chang Liu, Pinar Alayoglu, Yimin Li, Cole A. Whitman, Chia-Kuang Tsung, F. Dean Toste, Gabor A/ Somorjai
Wenyu Huang
highly active heterogeneous Pd-nanoparticle catalyst for the intramolecular addition of phenols to alkynes was developed and employed in a continuous flow reaction system. Running the reaction in flow mode revealed reaction kinetics, such as the activation energy and catalyst deactivation, and provides many potential practical advantages.
Seedless Polyol Synthesis And Co Oxidation Activity Of Monodisperse (111)- And (100)-Oriented Rhodium Nanocrystals In Sub-10 Nm Sizes, Yawen Zhang, Michael E. Grass, Wenyu Huang, Gabor A. Somoraji
Seedless Polyol Synthesis And Co Oxidation Activity Of Monodisperse (111)- And (100)-Oriented Rhodium Nanocrystals In Sub-10 Nm Sizes, Yawen Zhang, Michael E. Grass, Wenyu Huang, Gabor A. Somoraji
Wenyu Huang
Monodisperse sub-10 nm (6.5 nm) sized Rh nanocrystals with (111) and (100) surface structures were synthesized by a seedless polyol reduction in ethylene glycol, with poly(vinylpyrrolidone) as a capping ligand. When using [Rh(Ac)2]2 as the metal precursor, (111)-oriented Rh nanopolyhedra containing 76% (111)-twinned hexagons (in 2D projection) were obtained; whereas, when employing RhCl3 as the metal precursor in the presence of alkylammonium bromide, such as tetramethylammonium bromide and trimethyl(tetradecyl)ammonium bromide, (100)-oriented Rh nanocubes were obtained with 85% selectivity. The {100} faces of the Rh nanocrystals are stabilized by chemically adsorbed Br− ions from alkylammonium bromides, which led to (100)-oriented nanocubes. …
Furan Hydrogenation Over Pt(111) And Pt(100) Single-Crystal Surfaces And Pt Nanoparticles From 1 To 7 Nm: A Kinetic And Sum Frequency Generation Vibrational Spectroscopy Study, Christopher J. Kliewer, Cesar Aliaga, Marco Bieri, Wenyu Huang, Chia-Kuang Tsung, Jennifer B. Wood, Kyriankos Komvopoulos, Gabor A. Somorjai
Furan Hydrogenation Over Pt(111) And Pt(100) Single-Crystal Surfaces And Pt Nanoparticles From 1 To 7 Nm: A Kinetic And Sum Frequency Generation Vibrational Spectroscopy Study, Christopher J. Kliewer, Cesar Aliaga, Marco Bieri, Wenyu Huang, Chia-Kuang Tsung, Jennifer B. Wood, Kyriankos Komvopoulos, Gabor A. Somorjai
Wenyu Huang
Sum frequency generation surface vibrational spectroscopy and kinetic measurements using gas chromatography have been used to systematically study the adsorption and hydrogenation of furan over Pt(111) and Pt(100) single-crystal surfaces and size-controlled 1.0-nm, 3.5-nm and 7.0-nm Pt nanoparticles at Torr pressures (10 Torr of furan, 100 Torr of H2) to form dihydrofuran, tetrahydrofuran, and the ring-cracking products butanol and propylene. As determined by SFG, the furan ring lies parallel to all Pt surfaces studied under hydrogenation conditions. Upright THF and the oxametallacycle intermediate are observed over the nanoparticle catalysts under reaction conditions. Butoxy increases in surface concentration over Pt(111) with …
Management Strategies To Improve Yield And Nitrogen Use Of Spring Wheat And Field Pea In The Semi-Arid Northern Great Plains Usa, Andrew W. Lenssen, Brett Allen, Upendra Sainju, Thecan Caesar, Robert Lartey, Robert Evans
Management Strategies To Improve Yield And Nitrogen Use Of Spring Wheat And Field Pea In The Semi-Arid Northern Great Plains Usa, Andrew W. Lenssen, Brett Allen, Upendra Sainju, Thecan Caesar, Robert Lartey, Robert Evans
Andrew W. Lenssen
Available water and N fertility are primary constraints to crop production in the northern Great Plains of the USA. A field trial was initiated in 2004 to compare four crop rotations in a complete factorial of two tillage and two management systems. Rotations were continuous spring wheat (SW), pea-SW, barley hay-pea-SW, and barley hay-corn-pea-SW. Tillage systems were no till and field cultivator tillage, while management systems were conventional and ecological. Conventional management included broadcast nitrogen fertilizer, standard seeding rates, and short stubble height. Ecological management practices varied by crop, and included banded nitrogen fertilizer for cereals, increased seeding rate, delayed …
Preparation And Characterization Of Pt/Γ-Al2o3 Model Catalyst On Nial Alloy, Zhongfan Zhang, Long Li, Lin-Lin Wang, Sergio I. Sanchez, Ross V. Grieshaber, Qi Wang, Duane D. Johnson, Anatoly I. Frenkel, Ralph G. Nuzzo, Judith C. Yang
Preparation And Characterization Of Pt/Γ-Al2o3 Model Catalyst On Nial Alloy, Zhongfan Zhang, Long Li, Lin-Lin Wang, Sergio I. Sanchez, Ross V. Grieshaber, Qi Wang, Duane D. Johnson, Anatoly I. Frenkel, Ralph G. Nuzzo, Judith C. Yang
Duane D. Johnson
Numerous studies of heterogeneous catalysis systems clearly demonstrate that the metal nanoparticle (NPs)/support interaction is significant in determining the catalytic chemistry. Theoretical simulations have been performed to understand the metal/support interactions [1,2]. For example, theorists discovered that electronic and oxygen defects of γ-Al2O3 anchor the active particles [1]. Platinum NPs dispersed on γ-alumina is one of the most widely used heterogeneous catalysts and Pt performs extremely well as a catalyst for the oxygen-reduction reaction used in fuel cell industries. Hence, we chose Pt/γ-Al2O3 as a model heterogeneous catalyst system to investigate the metal NPs/support interface by electron microscopy methods with …
Interphase Energies Of Hcp Precipitates In Fcc Metals: A Density-Functional Theory Study In Al-Ag, Daniel Finkenstadt, Duane D. Johnson
Interphase Energies Of Hcp Precipitates In Fcc Metals: A Density-Functional Theory Study In Al-Ag, Daniel Finkenstadt, Duane D. Johnson
Duane D. Johnson
Density-functional theory (DFT) calculations of interphase boundary energies relevant to hexagonal-close-packed (hcp) γ-precipitate formation were performed within approximate unit cells that mirror the experimental conditions in face-centered-cubic (fcc) Al-Ag solid solutions. In Al-rich, fcc Al-Ag, γ precipitates are observed to form rapidly with large (300+) aspect ratios even though the Al stacking-fault energy is high (approximately 130 mJ/m2), which should suppress hcp ribbon formation according to standard arguments. Our DFT results show why high-aspect ratio plates occur and why previous estimates based on Wulff construction were orders of magnitude less than observed values. Using DFT, we obtain a Gibbs free-energy …
Greening The Curriculum: Augmenting Engineering And Technology Courses With Sustainability Topics, Kurt A. Rosentrater, Elif Kongar
Greening The Curriculum: Augmenting Engineering And Technology Courses With Sustainability Topics, Kurt A. Rosentrater, Elif Kongar
Kurt A. Rosentrater
Duties of engineers and technologists often entail designing and implementing solutions to problems. It is their responsibility to be cognizant of the impacts of their designs on and thus, their accountability to society in general. They must also be aware of subsequent effects upon the environment. They need to be able to concurrently satisfy these often competing priorities as well as constraints specific to the technical challenges at hand. Responding to these contending forces are the growing fields of green engineering and sustainable engineering. Both of these areas encompass many concepts, ideas and tools all of which are essential for …