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Articles 4351 - 4380 of 11222
Full-Text Articles in Engineering
Mountain Bike Wheel Endurance Testing And Modeling, Robin C. Redfield, Cory Sutela
Mountain Bike Wheel Endurance Testing And Modeling, Robin C. Redfield, Cory Sutela
United States Air Force: Publications
Mountain bike wheels may be evaluated for durability and mode of failure using bump drum test machines that subject wheels to simulated rider loads and uneven terrain. These machines may operate at high speeds in order to accelerate failures, particularly during the design and prototype phase of wheel development. This paper describes a mathematical model of the dynamics of a wheel test drum assembly, and the validation of the model using data recorded during a wheel test. This model will subsequently be applied to better understand the key test operating parameters that must be controlled in order to produce repeatable …
Numerical Simulation Of Buoyancy-Driven Turbulent Ventilation In Attic Space Under Winter Conditions, Shimin Wang, Zhigang Shen, Linxia Gu
Numerical Simulation Of Buoyancy-Driven Turbulent Ventilation In Attic Space Under Winter Conditions, Shimin Wang, Zhigang Shen, Linxia Gu
Department of Mechanical and Materials Engineering: Faculty Publications
Attic design and construction have significant impacts on residential buildings’ energy performance. In order to understand how passive ventilation rates affect ridge-vent attic’s performance, a two-dimensional steady-state finite volume model is employed to simulate the buoyancy-driven turbulent ventilation and heat transfer in a triangular attic space of a gable-roof residential building under winter conditions. The modeled attic has a pitch of 5/12 and a passive ventilation system, consisting of continuous ridge and soffit vents. The v2f model is used to analyze the turbulent air flow and natural convection heat transfer inside the attic. The effects of ambient air temperature, vent …
Numerical And Experimental Investigation Of Vascular Suture Closure, Linxia Gu, Ananth Ram Mahanth Kasavajhala, Haili Lang, James M. Hammel
Numerical And Experimental Investigation Of Vascular Suture Closure, Linxia Gu, Ananth Ram Mahanth Kasavajhala, Haili Lang, James M. Hammel
Department of Mechanical and Materials Engineering: Faculty Publications
Purpose — In order to optimize the performance of the suture for tissue closure, it is essential to develop strategies for devising new and improved techniques that can visualize and compare various suturing techniques. This paper describes an experimental and numerical investigation on the performance of sutured tissue.
Methods — In the experiments, two pieces of glutaraldehyde cross-linked bovine pericardium were sutured together through simple running suture and tensioned to study the performance of the sutured tissue. During testing, the tension load and the total displacement of the specimen were recorded. The strain field of the specimen was simultaneously captured …
Dielectric Function Spectra And Critical-Point Energies Of Cu2znsnse4 From 0.5 To 9.0 Ev, S. . G. Choi, H. . Y. Zhao, C. Persson, C. L. Perkins, A Donohue, B To, A. G. Norman, J Li, I. L. Repins
Dielectric Function Spectra And Critical-Point Energies Of Cu2znsnse4 From 0.5 To 9.0 Ev, S. . G. Choi, H. . Y. Zhao, C. Persson, C. L. Perkins, A Donohue, B To, A. G. Norman, J Li, I. L. Repins
United States Department of Energy: Publications
We present dielectric function e=e1+ie2spectra and critical-point energies of Cu2ZnSnSe4 determined by spectroscopic ellipsometry from 0.5 to 9.0 eV. We reduce artifacts from surface overlayers to the maximum extent possible by performing chemical-mechanical polishing and wet-chemical etching of the surface of a Cu2ZnSnSe4 thin film. Ellipsometric data are analyzed by the multilayer model and the e spectra are extracted. The data exhibit numerous spectral features associated with critical points, whose energies are obtained by fitting standard lineshapes to second energy derivatives of the data. The experimental results are in good …
The Sintering Behavior Of Close-Packed Spheres, R. Bjørk, V. Tikare, H. L. Frandsen, N. Pryds
The Sintering Behavior Of Close-Packed Spheres, R. Bjørk, V. Tikare, H. L. Frandsen, N. Pryds
United States Department of Energy: Publications
The sintering behavior and microstructural evolution of a powder compact is influenced strongly by initial properties, such as the relative density, the particle and pore size distribution, and the powder packing. While the influence of the former parameters on the microstructural evolution has been investigated in some detail, the impact of the initial packing of the powder has been mostly overlooked. However, research has shown that the sintering behavior of a powder can be significantly improved if the powder is regularly packed.
This has been shown for monodisperse spherical TiO2 particles [1], which sintered 10 times faster and exhibited almost …
The Hardness And Strength Of Metal Tribofilms: An Apparent Contradiction Between Nanoindentation And Pillar Compression, Corbett C. Battaile, Brad L. Boyce, Christopher Weinberger, Somuri Prasad, Joseph R. Michael, Blythe G. Clark
The Hardness And Strength Of Metal Tribofilms: An Apparent Contradiction Between Nanoindentation And Pillar Compression, Corbett C. Battaile, Brad L. Boyce, Christopher Weinberger, Somuri Prasad, Joseph R. Michael, Blythe G. Clark
United States Department of Energy: Publications
After sliding contact of a hard spherical counterface on a metal surface, the resulting wear scar possesses a complex microstructure consisting of dislocations, dislocation cells, ultrafine or nanocrystalline grains, and material that has undergone dynamic recovery. There remains a controversy as to the mechanical properties of the tribolayer formed in this wear scar. To investigate the properties of this thin layer of damaged material in single crystal nickel, we employed two complementary techniques: pillar compression and nanoindentation. In both techniques, the tests were tailored to characterize the near surface properties associated with the top 500 nm of material, where the …
Pore Scale Analysis Of The Impact Of Mixing-Induced Reaction Dependent Viscosity Variations, S.M. Davison, H. Yoon, M. J. Martinez
Pore Scale Analysis Of The Impact Of Mixing-Induced Reaction Dependent Viscosity Variations, S.M. Davison, H. Yoon, M. J. Martinez
United States Department of Energy: Publications
Expanding interest in enhanced subsurface natural resource recovery and carbon sequestration motivates study of reacting flows in porous media. In this work, we examine the case of reaction products that increase or decrease the viscosity of the fluid. Parallel reactant streams flow through porous media and react transversely along the centerline. We utilize a pore scale, finite element numerical method that couples the reaction with fluid flow through two arrangements of porous media at three Damkohler (Da) numbers and two viscosity conditions. When the product increases the fluid viscosity, the flow velocity is reduced and higher amounts of …
The Fundamental Equation Of Eddy Covariance And Its Application In Flux Measurements, Lianhong Gu, William J. Massman, Ray Leuning, Stephen Pallardy, Tilden Meyers, Paul Hanson, Jeffery Riggs, Kevin Hosman, Bai Yang
The Fundamental Equation Of Eddy Covariance And Its Application In Flux Measurements, Lianhong Gu, William J. Massman, Ray Leuning, Stephen Pallardy, Tilden Meyers, Paul Hanson, Jeffery Riggs, Kevin Hosman, Bai Yang
United States Department of Energy: Publications
A fundamental equation of eddy covariance (FQEC) is derived that allows the net ecosystem exchange (NEE) N̅s of a specified atmospheric constituent s to be measured with the constraint of conservation of any other atmospheric constituent (e.g. N2, argon, or dry air). It is shown that if the condition │N̅s│ ˃˃ │X̅s│ │N̅co2│is true, the conservation of mass can be applied with the assumption of no net ecosystem source or sink of dry air and the FQEC is reduced to the following equation and its approximation for horizontally homogeneous mass fluxes:
N̅s = c̅dw’X’s …
A Non-Premixed Combustion Model Based On Flame Structure Analysis At Supercritical Pressures, Guilhem Lacaze, Joseph Oefelein
A Non-Premixed Combustion Model Based On Flame Structure Analysis At Supercritical Pressures, Guilhem Lacaze, Joseph Oefelein
United States Department of Energy: Publications
This work presents a study of non-premixed flames at supercritical-pressure conditions. Emphasis is placed on flame stability in liquid rocket engines fueled with liquid oxygen and gaseous hydrogen. The flame structure sensitivity to strain, pressure, temperature and real-fluid effects was investigated in detailed opposed-jet flames calculations. It is shown that the flame is very robust to strain, that the flamelet assumption is valid for the conditions of interest, and that real-fluid phenomena can have a significant impact on flame topology. At high-pressure supercritical conditions, small pressure or temperature variations can induce strong changes of thermodynamic properties across the flame. A …
Field Ion Source Development For Neutron Generators, B. Bargsten Johnson, P. R. Schwoebel, C. E. Holland, P. J. Resnick, K L. Hertz, D L. Chichester
Field Ion Source Development For Neutron Generators, B. Bargsten Johnson, P. R. Schwoebel, C. E. Holland, P. J. Resnick, K L. Hertz, D L. Chichester
United States Department of Energy: Publications
An ion source based on the principles of electrostatic field desorption is being developed to improve the performance of existing compact neutron generators. The ion source is an array of gated metal tips derived from field electron emitter array micro fabrication technology. A comprehensive summary of development and experimental activities is presented. Many structural modifications to the arrays have been incorporated to achieve higher tip operating fields, while lowering fields at the gate electrode to prevent gate field electron emission which initiates electrical breakdown in the array. The latest focus of fabrication activities has been on rounding the gate electrode …
Numerical Simulation Of Expansion And Charring Of Carbon-Epoxy Laminates In Fire Environments, Matthew Mcgurn, Paul Desjardin, Amanda Dodd
Numerical Simulation Of Expansion And Charring Of Carbon-Epoxy Laminates In Fire Environments, Matthew Mcgurn, Paul Desjardin, Amanda Dodd
United States Department of Energy: Publications
A thermal model is developed for the response of carbon-epoxy composite laminates in fire environments. The model is based on a porous media description that includes the effects of gas transport within the laminate along with swelling. Model comparisons are conducted against the data from Quintiere et al. [34]. Verifications are conducted for both coupon level and intermediate scale one-sided heating tests. Comparisons of the heat release rate (HRR) and time-to-ignition as well as the final products (mass fractions, volume percentages, porosity, etc.) are conducted. Overall, the agreement between available the data and model is good considering the simplified approximations …
Combined Finite Element And Peridynamic Analyses For Predicting Failure In A Stiffened Composite Curved Panel With A Central Slot, Erkan Oterkus, Erdogan Madenci, Olaf Weckner, Stewart Silling, Philip Bogert, Alexander Tessler
Combined Finite Element And Peridynamic Analyses For Predicting Failure In A Stiffened Composite Curved Panel With A Central Slot, Erkan Oterkus, Erdogan Madenci, Olaf Weckner, Stewart Silling, Philip Bogert, Alexander Tessler
United States Department of Energy: Publications
This study presents an analysis approach based on a merger of the finite element method and the peridynamic theory. Its validity is established through qualitative and quantitative comparisons against the test results for a stiffened composite curved panel with a central slot under combined internal pressure and axial tension. The predicted initial and final failure loads, as well as the final failure modes, are in close agreement with the experimental observations. This approach demonstrates the capability of the PD approach to assess the durability of complex composite structures.
A Reaction Progress Variable Modeling Approach For Non-Ideal Multiphase Explosives, K. P. Ruggirello, P. E. Desjardin, M. R. Baer, M. J. Kaneshige, E. S. Hertel
A Reaction Progress Variable Modeling Approach For Non-Ideal Multiphase Explosives, K. P. Ruggirello, P. E. Desjardin, M. R. Baer, M. J. Kaneshige, E. S. Hertel
United States Department of Energy: Publications
This study concerns the development of a mixture fraction based reaction progress variable formulation for aluminized explosives. Highlights of the formulation include a fully compressible treatment of both the gas and solid phases (both aluminum and alumina), heterogenous and homogenous reactions, and effects of group combustion. Isolated particle simulations are validated against experimental data and DNS and show good agreement of burn times over a range of pressure and oxygen environments. The new models are implemented in the CTH shock physics code using a fractional step approach to allow for efficient computation of particle dynamics. Comparisons are made to experimental …
An Experimental And Theoretical Study Of Heat And Mass Transfer During The Venting Of Gas From Pressure Vessels, W. S. Winters, G. H. Evans, S. F. Rice, R. Greif
An Experimental And Theoretical Study Of Heat And Mass Transfer During The Venting Of Gas From Pressure Vessels, W. S. Winters, G. H. Evans, S. F. Rice, R. Greif
United States Department of Energy: Publications
Non condensing gas flow and heat transfer during venting of vessels are studied using experiments and analysis. A high pressure helium supply vessel is connected to a low pressure receiver via orifice and tubing. A single control volume analysis and a multi-dimensional analysis are used to predict pressure and mass-averaged temperature in the supply. Experiments utilizing transient PVT methods are conducted to obtain transient pressure and mass-averaged temperature data for validating the analysis. Measured transient pressures and mass-averaged temperatures in the supply are reproduced by analysis. Heat transfer is due to natural convection except for the early part of transfer.
A Functional Description Of Cyma, An Electron-Transfer Hub Supporting Anaerobic Respiratory Flexibility In Shewanella, Sophie J. Marritt, Thomas G. Lowe, Jordan Bye, Duncan G. G. Mcmillan, Liang Shi, James K. Fredrickson, John M. Zachara, David J. Richardson, Myles R. Cheesman, Lars J. C. Jeuken, Julea N. Butt
A Functional Description Of Cyma, An Electron-Transfer Hub Supporting Anaerobic Respiratory Flexibility In Shewanella, Sophie J. Marritt, Thomas G. Lowe, Jordan Bye, Duncan G. G. Mcmillan, Liang Shi, James K. Fredrickson, John M. Zachara, David J. Richardson, Myles R. Cheesman, Lars J. C. Jeuken, Julea N. Butt
United States Department of Energy: Publications
CymA (tetrahaem cytochrome c) is a member of the NapC/NirT family of quinol dehydrogenases. Essential for the anaerobic respiratory flexibility of shewanellae, CymA transfers electrons from menaquinol to various dedicated systems for the reduction of terminal electron acceptors including fumarate and insoluble minerals of Fe(III). Spectroscopic characterization of CymA from Shewanella oneidensis strain MR-1 identifies three lowspin His/His co-ordinated c-haems and a single high-spin chaem with His/H2O co-ordination lying adjacent to the quinolbinding site. At pH 7, binding of the menaquinol analogue, 2-heptyl-4-hydroxyquinoline-N-oxide, does not alter the midpoint potentials of the high-spin (approximately −240 mV) …
Exploring The Biochemistry At The Extracellular Redox Frontier Of Bacterial Mineral Fe(Iii) Respiration, David J. Richardson, Marcus J. Edwards, Gaye F. White, Nanakow Baiden, Robert S. Hartshorne, James K. Fredrickson, Liang Shi, John M. Zachara, Andrew J. Gates, University Of East Anglia, Thomas Clarke
Exploring The Biochemistry At The Extracellular Redox Frontier Of Bacterial Mineral Fe(Iii) Respiration, David J. Richardson, Marcus J. Edwards, Gaye F. White, Nanakow Baiden, Robert S. Hartshorne, James K. Fredrickson, Liang Shi, John M. Zachara, Andrew J. Gates, University Of East Anglia, Thomas Clarke
United States Department of Energy: Publications
Many species of the bacterial Shewanella genus are notable for their ability to respire in anoxic environments utilizing insoluble minerals of Fe(III) and Mn(IV) as extracellular electron acceptors. In Shewanella oneidensis, the process is dependent on the decahaem electron-transport proteins that lie at the extracellular face of the outer membrane where they can contact the insoluble mineral substrates. These extracellular proteins are charged with electrons provided by an inter-membrane electron-transfer pathway that links the extracellular face of the outer membrane with the inner cytoplasmic membrane and thereby intracellular electron sources. In the present paper, we consider the common structural …
Img: The Integrated Microbial Genomes Database And Comparative Analysis System, Victor M. Markowitz, I-Min A. Chen, Krishna Palaniappan, Ken Chu, Ernest Szeto, Yuri Grechkin, Anna Ratner, Biju Jacob, Jinghua Huang, Peter Williams, Marcel Huntemann, Iain Anderson, Konstantinos Mavromatis, Natalia N. Ivanova, Nikos C. Kyrpides
Img: The Integrated Microbial Genomes Database And Comparative Analysis System, Victor M. Markowitz, I-Min A. Chen, Krishna Palaniappan, Ken Chu, Ernest Szeto, Yuri Grechkin, Anna Ratner, Biju Jacob, Jinghua Huang, Peter Williams, Marcel Huntemann, Iain Anderson, Konstantinos Mavromatis, Natalia N. Ivanova, Nikos C. Kyrpides
United States Department of Energy: Publications
The Integrated Microbial Genomes (IMG) system serves as a community resource for comparative analysis of publicly available genomes in a comprehensive integrated context. IMG integrates publicly available draft and complete genomes from all three domains of life with a large number of plasmids and viruses. IMG provides tools and viewers for analyzing and reviewing the annotations of genes and genomes in a comparative context. IMG’s data content and analytical capabilities have been continuously extended through regular updates since its first release in March 2005. IMG is available at http://img.jgi.doe.gov. Companion IMG systems provide support for expert review of genome annotations …
Complete Genome Sequence Of Thauera Aminoaromatica Strain Mz1t, Ke Jiang, John Sanseverino, Archana Chauhan, Susan Lucas, Alex Copeland, Alla Lapidus, Tijana Glavina Del Rio, Eileen Dalin, Hope Tice, David Bruce, Lynne Goodwin, Sam Pitluck, David Sims, Thomas Brettin, John C. Detter, Cliff Han, Y.J. Chang, Frank Larimer, Miriam Land, Loren Hauser, Nikos C. Kyrpides, Natalia Mikhailova, Scott Moser, Patricia Jegier, Dan Close, Jennifer M. Debruyn, Ying Wang, Alice C. Layton, Michael S. Allen, Gary S. Sayler
Complete Genome Sequence Of Thauera Aminoaromatica Strain Mz1t, Ke Jiang, John Sanseverino, Archana Chauhan, Susan Lucas, Alex Copeland, Alla Lapidus, Tijana Glavina Del Rio, Eileen Dalin, Hope Tice, David Bruce, Lynne Goodwin, Sam Pitluck, David Sims, Thomas Brettin, John C. Detter, Cliff Han, Y.J. Chang, Frank Larimer, Miriam Land, Loren Hauser, Nikos C. Kyrpides, Natalia Mikhailova, Scott Moser, Patricia Jegier, Dan Close, Jennifer M. Debruyn, Ying Wang, Alice C. Layton, Michael S. Allen, Gary S. Sayler
United States Department of Energy: Publications
Thauera aminoaromatica strain MZ1T, an isolate belonging to genus Thauera, of the family Rhodocyclaceae and the class the Betaproteobacteria, has been characterized for its ability to produce abundant exopolysaccharide and degrade various aromatic compounds with nitrate as an electron acceptor. These properties, if fully understood at the genome-sequence level, can aid in environmental processing of organic matter in anaerobic cycles by short-circuiting a central anaerobic metabolite, acetate, from microbiological conversion to methane, a critical greenhouse gas. Strain MZ1T is the first strain from the genus Thauera with a completely sequenced genome. The 4,496,212 bp chromosome and 78,374 bp plasmid …
The Crystal Structure Of The Extracellular 11-Heme Cytochromeundareveals A Conserved 10-Heme Motif And Defined Binding Site For Soluble Iron Chelates, Marcus J. Edwards, Andrea Hall, Liang Shi, James K. Fredrickson, John M. Zachara, Julea N. Butt, David J. Richardson, Thomas A. Clarke
The Crystal Structure Of The Extracellular 11-Heme Cytochromeundareveals A Conserved 10-Heme Motif And Defined Binding Site For Soluble Iron Chelates, Marcus J. Edwards, Andrea Hall, Liang Shi, James K. Fredrickson, John M. Zachara, Julea N. Butt, David J. Richardson, Thomas A. Clarke
United States Department of Energy: Publications
Members of the genus Shewanella translocate decaor undeca-heme cytochromes to the external cell surface thus enabling respiration using extracellular minerals and polynuclear Fe(III) chelates. The high resolution structure of the first undeca-heme outer membrane cytochrome, UndA, reveals a crossed heme chain with four potential electron ingress/ egress sites arranged within four domains. Sequence and structural alignment of UndA and the deca-heme MtrF reveals the extra heme of UndA is inserted between MtrF hemes 6 and 7. The remaining UndA hemes can be superposed over the heme chain of the decaheme MtrF, suggesting that a ten heme core is conserved between …
Three-Dimensional Bayesian Geostatistical Aquifer Characterization At The Hanford 300 Area Using Tracer Test Data, Xingyuan Chen, Haruko Murakami, Melanie S. Hahn, Glenn E. Hammond, Mark Rockhold, John M. Zachara, Yoram Rubin
Three-Dimensional Bayesian Geostatistical Aquifer Characterization At The Hanford 300 Area Using Tracer Test Data, Xingyuan Chen, Haruko Murakami, Melanie S. Hahn, Glenn E. Hammond, Mark Rockhold, John M. Zachara, Yoram Rubin
United States Department of Energy: Publications
Tracer tests performed under natural or forced gradient flow conditions can provide useful information for characterizing subsurface properties, through monitoring, modeling, and interpretation of the tracer plume migration in an aquifer. Nonreactive tracer experiments were conducted at the Hanford 300 Area, along with constant-rate injection tests and electromagnetic borehole flow meter tests. A Bayesian data assimilation technique, the method of anchored distributions (MAD) (Rubin et al., 2010), was applied to assimilate the experimental tracer test data with the other types of data and to infer the three-dimensional heterogeneous structure of the hydraulic conductivity in the saturated zone of the Hanford …
Analysis Of Phase Separation In High Performance Pbte–Pbs Thermoelectric Materials, Steven N. Girard, Klaus Schmidt-Rohr, Thomas C. Chasapis, Euripides Hatzikraniotis, B. Njegic, E. M. Levin, A. Rawal, Konstantinos M. Paraskevopoulos, Mercouri G. Kanatzidis
Analysis Of Phase Separation In High Performance Pbte–Pbs Thermoelectric Materials, Steven N. Girard, Klaus Schmidt-Rohr, Thomas C. Chasapis, Euripides Hatzikraniotis, B. Njegic, E. M. Levin, A. Rawal, Konstantinos M. Paraskevopoulos, Mercouri G. Kanatzidis
United States Department of Energy: Publications
Phase immiscibility in PbTe–based thermoelectric materials is an effective means of top-down synthesis of nanostructured composites exhibiting low lattice thermal conductivities. PbTe1− x Sx thermoelectric materials can be synthesized as metastable solid solution alloys through rapid quenching. Subsequent post-annealing induces phase separation at the nanometer scale, producing nanostructures that increase phonon scattering and reduce lattice thermal conductivity. However, there has yet to be any study investigating in detail the local chemical structure of both the solid solution and nanostructured variants of this material system. Herein, quenched and annealed (i.e., solid solution and phase-separated) samples of PbTe–PbS are analyzed …
Nanoscale Structure And Structural Relaxation In Zr50cu45al5 Bulk Metallic Glass, Jinwoo Hwang, Z. H. Melgarejo, Y. E. Kalay, I. Kalay, Matthew J. Kramer, D. S. Stone, P. M. Voyles
Nanoscale Structure And Structural Relaxation In Zr50cu45al5 Bulk Metallic Glass, Jinwoo Hwang, Z. H. Melgarejo, Y. E. Kalay, I. Kalay, Matthew J. Kramer, D. S. Stone, P. M. Voyles
United States Department of Energy: Publications
Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structure from an embedded atom potential produce structures with significant fractions of icosahedral- and crystal-like atomic clusters. Similar clusters group together into nanometer-scale regions, and relaxation transforms crystal-like clusters into icosahedral clusters. A model refined against only the potential does not agree with the fluctuation microscopy data and contains few crystal-like clusters.
Enhancement Of Thermopower Of Tags-85 High-Performance Thermoelectric Material By Doping With The Rare Earth Dy, E. M. Levin, S. L. Bud’Ko, K. Schmidt-Rohr
Enhancement Of Thermopower Of Tags-85 High-Performance Thermoelectric Material By Doping With The Rare Earth Dy, E. M. Levin, S. L. Bud’Ko, K. Schmidt-Rohr
United States Department of Energy: Publications
Enhancement of thermopower is achieved by doping the narrow-band semiconductor Ag6.52Sb6.52Ge36.96Te50 (acronym TAGS-85), one of the best p -type thermoelectric materials, with 1 or 2% of the rare earth dysprosium (Dy). Evidence for the incorporation of Dy into the lattice is provided by X-ray diffraction and increased orientation-dependent local fields detected by 125Te NMR spectroscopy. Since Dy has a stable electronic configuration, the enhancement cannot be attributed to 4f -electron states formed near the Fermi level. It is likely that the enhancement is due to a small reduction in the carrier …
Incorporating A Completely Renormalized Coupled Cluster Approach Into A Composite Method For Thermodynamic Properties And Reaction Paths, Sean A. Nedd, Nathan J. Deyonker, Angela K. Wilson, Mark S. Gordon, Piotr Piecuch
Incorporating A Completely Renormalized Coupled Cluster Approach Into A Composite Method For Thermodynamic Properties And Reaction Paths, Sean A. Nedd, Nathan J. Deyonker, Angela K. Wilson, Mark S. Gordon, Piotr Piecuch
United States Department of Energy: Publications
The correlation consistent composite approach (ccCA), using the S4 complete basis set two-point extrapolation scheme (ccCA-S4), has been modified to incorporate the left-eigenstate completely renormalized coupled cluster method, including singles, doubles, and non-iterative triples (CR-CC(2,3)) as the highest level component. The new ccCA-CC(2,3) method predicts thermodynamic properties with an accuracy that is similar to that of the original ccCA-S4 method. At the same time, the inclusion of the single-reference CR-CC(2,3) approach provides a ccCA scheme that can correctly treat reaction pathways that contain certain classes of multi-reference species such as diradicals, which would normally need to be treated by more …
Experimental And Theoretical Electronic Structure Of Eurh2as2, A. D. Palczewski, R. S. Dhaka, Y. Lee, Yogesh Singh, D. C. Johnston, B. N. Harmon, Adam Kaminski
Experimental And Theoretical Electronic Structure Of Eurh2as2, A. D. Palczewski, R. S. Dhaka, Y. Lee, Yogesh Singh, D. C. Johnston, B. N. Harmon, Adam Kaminski
United States Department of Energy: Publications
The Fermi surfaces (FS’s) and band dispersions of EuRh2As2 have been investigated using angle-resolved photoemission spectroscopy. The results in the high-temperature paramagnetic state are in good agreement with the full-potential linearized augmented-plane-wave calculations, especially in the context of the shape of the two-dimensional FS’s and band dispersion around the Γ (0,0) and X (π,π) points. Interesting changes in band folding are predicted by the theoretical calculations below the magnetic transition temperature TN ≈ 47 K. However, by comparing the FS’s measured at 60 and 40 K, we did not observe any signature of this transition at …
Magnetic And Structural Transitions In The Iron-Chalcogenide High-Tc Superconductor: K0.8fe1.76se2.00, W. N. Rowan-Weetaluktuk, D. H. Ryan, J. M. Cadogan, R. Hu, S. L. Bud’Ko, Paul C. Canfield
Magnetic And Structural Transitions In The Iron-Chalcogenide High-Tc Superconductor: K0.8fe1.76se2.00, W. N. Rowan-Weetaluktuk, D. H. Ryan, J. M. Cadogan, R. Hu, S. L. Bud’Ko, Paul C. Canfield
United States Department of Energy: Publications
57Fe Mössbauer spectroscopy was used to study single-crystals of K0.8Fe1.76Se2.00 from 6K to 673 K. At 6 K, the hyperfine field (Bhf) is canted away from the c-axis by 18±3°. The temperature dependence of Bhf follows a spin wave model with a spin excitation gap of 9±1 meV. A sudden increase in the line width and a corresponding drop in (1/2)eQVzz at TN = 532 K are indications of strong coupling between the magnetic and structural transitions.
Evaluation Of Niobium As Candidate Electrode Material For Dc High Voltage Photoelectron Guns, M. Bastaninejad, Md. Abdullah Mohamed, A. A. Elmustafa, P. Adderley, J. Clark, S. Covert, J. Hansknecht, C. Hernandez-Garcia, M. Poelker, R. Mammei, K. Surles-Law, P. Williams
Evaluation Of Niobium As Candidate Electrode Material For Dc High Voltage Photoelectron Guns, M. Bastaninejad, Md. Abdullah Mohamed, A. A. Elmustafa, P. Adderley, J. Clark, S. Covert, J. Hansknecht, C. Hernandez-Garcia, M. Poelker, R. Mammei, K. Surles-Law, P. Williams
United States Department of Energy: Publications
The field emission characteristics of niobium electrodes were compared to those of stainless steel electrodes using a DC high voltage field emission test apparatus. A total of eight electrodes were evaluated: two 304 stainless steel electrodes polished to mirror like finish with diamond grit and six niobium electrodes (two single-crystal, two large-grain, and two fine-grain) that were chemically polished using a buffered-chemical acid solution. Upon the first application of high voltage, the best large-grain and single-crystal niobium electrodes performed better than the best stainless steel electrodes, exhibiting less field emission at comparable voltage and field strength. In all cases, field …
Monitoring The Effects Of Knickpoint Erosion On Bridge Pier And Abutment Structural Damage Due To Scour, Thanos Papanicolaou, David M. Admiraal, Christopher Wilson, Clark W. Kephart
Monitoring The Effects Of Knickpoint Erosion On Bridge Pier And Abutment Structural Damage Due To Scour, Thanos Papanicolaou, David M. Admiraal, Christopher Wilson, Clark W. Kephart
Mid-America Transportation Center: Final Reports and Technical Briefs
The goal of this study was to conduct a field-oriented evaluation, coupled with advanced laboratory techniques, of channel degradation in a stream of the Deep Loess Region of western Iowa, namely, Mud Creek. The Midwestern United States is an ideal place for such a study, considering that approximately $1 billion of infrastructure and farmland has been lost recently to channel degradation. A common form of channel degradation in this region is associated with the formation of knickpoints, which naturally manifest as short waterfalls within the channel that migrate upstream. As flow plunges over a knickpoint face, scouring of the downstream …
Development Of A Methodology For Assessment Of Crash Costs At Highway- Rail Grade Crossings In Nebraska, Aemal Khattak, Eric Thompson
Development Of A Methodology For Assessment Of Crash Costs At Highway- Rail Grade Crossings In Nebraska, Aemal Khattak, Eric Thompson
Mid-America Transportation Center: Final Reports and Technical Briefs
An accurate measure of crash costs is required to support effective decision-making about transportation investments. In particular, underinvestment will occur if measurement fails to capture the full cost of crashes. Such mis-measurement and underinvestment may be occurring in the case of crashes at highway-rail grade crossings (HRGCs). HRGC crash costs can be substantial because of the severity of crashes. However, another important potential cost is the disruption to the transportation and logistics system. Existing methodologies capture the first set of costs but often fail to fully capture the second set. This research provides a standardized methodology for assessing the expected …
Safety Improvements At Highway-Railroad Crossing For Pedestrians And Bicyclists And The Assessment Of Long- Term Effects Of Centerline Curbing, Aemal Khattak, Zheng Luo
Safety Improvements At Highway-Railroad Crossing For Pedestrians And Bicyclists And The Assessment Of Long- Term Effects Of Centerline Curbing, Aemal Khattak, Zheng Luo
Mid-America Transportation Center: Final Reports and Technical Briefs
The focus of the research reported herein was on assessing the long-term effectiveness of median barriers at highway-rail grade crossings (HRGCs), the impacts of barrier maintenance in resurrecting safety, and on exploring and assessing ways to improve pedestrian and bicyclist safety at HRGCs. Nebraska has about 7,000 HRGCs and each one represents a potential conflict point among trains and highway users, i.e., motorists, pedestrians, and bicyclists. Safety at HRGCs is compromised when highway users resort to unsafe maneuvers, such as passing around closed gates when trains are approaching. Gate-related violations by motorists, pedestrians, and bicyclists were studied at three selected …