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Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
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1

The influence of temperature on lysozyme crystals. Structure and dynamics of protein and water  

Science Journals Connector (OSTI)

Lysozyme strtictures at six different temperatures in the range 95-295 K have been determined at a resolution of 1.7 Å. The temperature dependence of the structure of lysozyme together with properties of protein-bound water are analyzed.

Kurinov, I.V.

1995-01-01T23:59:59.000Z

2

Structural consequences of hen egg-white lysozyme orthorhombic crystal growth in a high magnetic field: validation of X-ray diffraction intensity, conformational energy searching and quantitative analysis of B factors and mosaicity  

Science Journals Connector (OSTI)

It has been shown that a high magnetic field of 10 T improves the quality of lysozyme crystals as quantified by comparison of the X-ray diffraction of crystals grown in the presence and absence of a magnetic field of 10 T, from structure comparisons and from molecular-modelling studies with conformational energy searching, from analysis of the anisotropic B factors and finally from analysis of the mosaicity. It is concluded that magnetic enhancement in protein crystal perfection is an important material engineering tool in the study of protein structure and function.

Saijo, S.

2005-02-24T23:59:59.000Z

3

Structure Transition in PSS/Lysozyme Complexes: A Chain-Conformation-Driven Process, as Directly Seen by Small Angle Neutron Scattering  

E-Print Network [OSTI]

Measurements of chain conformation in proteins/polyelectrolytes complexes (lysozyme and PSSNa) show that the crossover observed between an open structure -a chain network crosslinked by the proteins, and a globular one - dense globules of ~ 10 nm aggregated in a fractal way, results from a conformation modification prior to the transition. Before showing this, we have widened the parameters range for the observation of the transition. We had shown before that the two structures can be formed depending on chain length (for a given [PSS]/[lysozyme] ratio): gel for large chains, globules for short chains. We show here that the crossover between these two regimes can also be reached as a function of chains concentration or salinity of the buffer. Since all these crossover parameters act on chains overlapping concentration c*, we reinforce the idea of a transition from the dilute to the semi-dilute regime, but c* is shifted compared to pure PSS solutions. In order to understand this, we have measured by SANS the conformation of a single chain of PSS in presence of proteins within the complexes. This is achieved by a specific labeling trick where we take advantage of the fact that lysozyme and hydrogenated PSS chains have the same neutron scattering length density. In the gel structure, the PSS chains keep a wormlike structure as in pure solutions, but their persistence length is strongly reduced, from 50 {\\AA} without proteins to 20 {\\AA} in average with lysozyme. With this value of 20 {\\AA}, we calculate new overlapping thresholds (concentration, mass, ionic strength) in agreement with observed ones. In a second stage, after the globular structure is formed, the PSS chains get a third conformation, no longer wormlike, but more collapsed, within the globules.

Jérémie Gummel; Fabrice Cousin; François Boué

2009-03-30T23:59:59.000Z

4

A zinc complex of heparan sulfate destabilises lysozyme and alters its conformation  

SciTech Connect (OSTI)

Highlights: Black-Right-Pointing-Pointer Zinc-heparan sulfate complex destabilises lysozyme, a model amyloid protein. Black-Right-Pointing-Pointer Addition of zinc, without heparan sulfate, stabilises lysozyme. Black-Right-Pointing-Pointer Heparan sulfate cation complexes provide alternative protein folding routes. -- Abstract: The naturally occurring anionic cell surface polysaccharide heparan sulfate is involved in key biological activities and is implicated in amyloid formation. Following addition of Zn-heparan sulfate, hen lysozyme, a model amyloid forming protein, resembled {beta}-rich amyloid by far UV circular dichroism (increased {beta}-sheet: +25%), with a significantly reduced melting temperature (from 68 to 58 Degree-Sign C) by fluorescence shift assay. Secondary structure stability of the Zn-heparan sulfate complex with lysozyme was also distinct from that with heparan sulfate, under stronger denaturation conditions using synchrotron radiation circular dichroism. Changing the cation associated with heparan sulfate is sufficient to alter the conformation and stability of complexes formed between heparan sulfate and lysozyme, substantially reducing the stability of the protein. Complexes of heparan sulfate and cations, such as Zn, which are abundant in the brain, may provide alternative folding routes for proteins.

Hughes, Ashley J. [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom) [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Hussain, Rohanah [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Cosentino, Cesare; Guerrini, Marco [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)] [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy); Siligardi, Giuliano [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Yates, Edwin A., E-mail: eayates@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Rudd, Timothy R., E-mail: trudd@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)

2012-09-07T23:59:59.000Z

5

E-Print Network 3.0 - antibacterial protein lysozyme Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Science 42 1548 J. Am. Chem. SOC.1995,117,1548-1549 Cooperative Elements in Protein Folding Monitored Summary: states?Thus, hen lysozyme represents an excellent model...

6

Single-Molecule Dynamics of Lysozyme Processing Distinguishes Linear and Cross-Linked Peptidoglycan Substrates  

E-Print Network [OSTI]

of enzymes in bulk solution prevents ensemble measurements from examining an enzyme's conformational dynamics the static and dynamic disorders inherent in enzyme activities.2,8 Lysozyme is a particularly good model protein for elucidating detailed enzyme dynamics and conformational motions from single

Weiss, Gregory A.

7

Single-Molecule Lysozyme Dynamics Monitored by an Electronic Circuit  

E-Print Network [OSTI]

Chem. B 38. S. N. Xie, Single Molecules 2, 229 (2001). 39.Technol. 26, 1338 (2010). Single-Molecule Lysozyme Dynamicsprobe the dynamics of single molecules (1) and overcome the

Collins, Philip G

2012-01-01T23:59:59.000Z

8

Osmotic pressure measurements of ovalbumin and lysozyme mixtures  

E-Print Network [OSTI]

, the experimental tech- nique has become more practical. For these reasons, osmometry was used to study the interaction of ovalbumin and lysozyme in cacodylate buffer solutions (pH 5. 80, u = 0. 02) at 30 and 37'C. Osmotic pressure experiments performed... separately on ovalbumin and lysozyme in cacodylate buffer indicated that the self-associations of either reactant are negligible. Both solutions exhibited nonideal behavior at each temperature. In order to study the mixed interaction, stock solutions were...

McCarty, Bradley Wayne

2012-06-07T23:59:59.000Z

9

Consumption of Lysozyme-Rich Milk Can Alter Microbial Fecal Populations  

Science Journals Connector (OSTI)

...research-article Microbial Ecology Consumption of Lysozyme-Rich Milk Can Alter Microbial...diversity was changed significantly upon consumption of lysozyme milk. Levels of Firmicutes...increased over time in response to the consumption of lysozyme-rich milk. The proportions...

Elizabeth A. Maga; Prerak T. Desai; Bart C. Weimer; Nguyet Dao; Dietmar Kültz; James D. Murray

2012-06-29T23:59:59.000Z

10

Structure beyond the Standard Model  

Science Journals Connector (OSTI)

...see Ross (1997) for a review and further references...superpartners of the Standard Model states. These...factorizable metric M2 Plan ck;4 = M2+ Plan ck;4+ nR and, provided...Structure beyond the Standard Model 415 10 100 10003...

2001-01-01T23:59:59.000Z

11

Cracking Molecular Structures with Bright Lights - and a Few Good Eggs |  

Broader source: Energy.gov (indexed) [DOE]

Cracking Molecular Structures with Bright Lights - and a Few Good Cracking Molecular Structures with Bright Lights - and a Few Good Eggs Cracking Molecular Structures with Bright Lights - and a Few Good Eggs June 22, 2012 - 11:04am Addthis This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC’s Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS. | Photo by Anton Barty/DESY This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC's Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS.

12

Mathematical modelings of smart materials and structures  

E-Print Network [OSTI]

Mathematical modelings of smart materials and structures Christian Licht , Thibaut Weller mathematical models of smart materials and smart structures. Smart materials are materials which present perturbations methods, asymptotic analysis, plates and rods models. 1 Introduction Smart materials present

Paris-Sud XI, Université de

13

Structure formation: Models, Dynamics and Status  

E-Print Network [OSTI]

The constraints on the models for the structure formation arising from various cosmological observations at different length scales are reviewed. The status of different models for structure formation is examined critically in the light of these observations.

T. Padmanabhan

1995-08-25T23:59:59.000Z

14

Hybrid Model Structures Aaron David Ames  

E-Print Network [OSTI]

Hybrid Model Structures by Aaron David Ames B.A. (University of St. Thomas) 2001 B.S. (University of California, Berkeley Fall 2006 #12;Hybrid Model Structures Copyright 2006 by Aaron David Ames #12;Abstract Hybrid Model Structures by Aaron David Ames Masters of Arts in Mathematics University of California

Ames, Aaron

15

Engineering Structurally Configurable Models with Model Transformation  

E-Print Network [OSTI]

: Agilent, Bosch, HSBC, Lockheed-Martin, National Instruments, and Toyota. #12;Engineering Structurally

16

Feasibility of using lysozyme to reduce excess sludge in activated sludge process  

Science Journals Connector (OSTI)

Lysozyme reaction was developed as a novel technique for minimizing the amount of excess sludge in the sequential batch reactor (SBR). In the present work, excess sludge taken from a SBR system was treated ... th...

Yong Song ??; Zhou Shi ??; Shi-yang Chen ???…

2013-09-01T23:59:59.000Z

17

Pie Model of Capital Structure  

Science Journals Connector (OSTI)

A model of the debt-equity ratio of the firms, graphically depicted in slices of a pie that represents the value of the firm...

2006-01-01T23:59:59.000Z

18

Quantifying parsimony in structural equation modeling  

E-Print Network [OSTI]

Fitting propensity (FP) is defined as a model's average ability to fit diverse data patterns, all else being equal. The relevance of FP to model selection is examined in the context of structural equation modeling (SEM). In SEM it is well known...

Preacher, K. J.

2006-01-01T23:59:59.000Z

19

Intelligent-based Structural Damage Detection Model  

SciTech Connect (OSTI)

This paper presents the application of a novel Artificial Neural Network (ANN) model for the diagnosis of structural damage. The ANN model, denoted as the GRNNFA, is a hybrid model combining the General Regression Neural Network Model (GRNN) and the Fuzzy ART (FA) model. It not only retains the important features of the GRNN and FA models (i.e. fast and stable network training and incremental growth of network structure) but also facilitates the removal of the noise embedded in the training samples. Structural damage alters the stiffness distribution of the structure and so as to change the natural frequencies and mode shapes of the system. The measured modal parameter changes due to a particular damage are treated as patterns for that damage. The proposed GRNNFA model was trained to learn those patterns in order to detect the possible damage location of the structure. Simulated data is employed to verify and illustrate the procedures of the proposed ANN-based damage diagnosis methodology. The results of this study have demonstrated the feasibility of applying the GRNNFA model to structural damage diagnosis even when the training samples were noise contaminated.

Lee, Eric Wai Ming; Yu, K.F. [Department of Building and Construction, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)

2010-05-21T23:59:59.000Z

20

Modeling joint friction in structural dynamics.  

SciTech Connect (OSTI)

The presence of mechanical joints--typified by the lap joint--in otherwise linear structures has been accommodated in structural dynamics via ad hoc methods for a century. The methods range from tuning linear models to approximate non-linear behavior in restricted load ranges to various methods which introduce joint dissipation in a post-processing stage. Other methods, employing constitutive models for the joints are being developed and their routine use is on the horizon.

Segalman, Daniel Joseph

2005-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Comparison of ?Z-structure function models  

SciTech Connect (OSTI)

The ?Z-box is an important contribution to the proton's weak charge. The ?Z-box is calculated dispersively and depends on ?Z-structure functions, F{sub 1,2,3}{sup ?Z}(x,Q{sup 2}). At present there is no data for these structure functions and they must be modeled by modifying existing fits to electromagnetic data. Each group that has studied the ?Z-box used different modifications. The results of the PVDIS experiment at Jefferson Lab may provide a first test of the validity of each group's models. I present details of the different models and their predictions for the PVDIS result.

Rislow, Benjamin C. [Department of Physics, College of William and Mary, Williamsburg, VA 23187 (United States)

2013-11-07T23:59:59.000Z

22

Modeling Heterogeneity in Indirect Effects: Multilevel Structural Equation Modeling Strategies  

E-Print Network [OSTI]

The heterogeneity implicit in much of social science research can be accommodated by using complex modeling procedures such as SEM or MLM. Ignoring heterogeneity, particularly with regard to nested data structures, can have serious consequences...

Fall, Emily C.

2011-12-31T23:59:59.000Z

23

Modeling Fission Product Sorption in Graphite Structures  

SciTech Connect (OSTI)

The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products on each type of graphite site. The model will include multiple simultaneous adsorbing species, which will allow for competitive adsorption effects between different fission product species and O and OH (for modeling accident conditions).

Szlufarska, Izabela [University of Wisconsin, Madison, WI (United States); Morgan, Dane [University of Wisconsin, Madison, WI (United States); Allen, Todd [University of Wisconsin, Madison, WI (United States)

2013-04-08T23:59:59.000Z

24

Coastal Structures Modeling Complex | Open Energy Information  

Open Energy Info (EERE)

Structures Modeling Complex Structures Modeling Complex Jump to: navigation, search Basic Specifications Facility Name Coastal Structures Modeling Complex Overseeing Organization United States Army Corp of Engineers (ERDC) Hydrodynamic Testing Facility Type Wave Basin Length(m) 54.9 Beam(m) 35.4 Depth(m) 1.4 Water Type Freshwater Cost(per day) Contact POC Towing Capabilities Towing Capabilities None Wavemaking Capabilities Wavemaking Capabilities Yes Maximum Wave Height(m) 0.3 Wave Period Range(s) 0.0 Current Velocity Range(m/s) 0.0 Programmable Wavemaking Yes Wave Direction Both Simulated Beach No Channel/Tunnel/Flume Channel/Tunnel/Flume None Wind Capabilities Wind Capabilities None Control and Data Acquisition Description Automated data acquisition and control system Cameras None

25

Modelling oil price volatility with structural breaks  

Science Journals Connector (OSTI)

In this paper, we provide two main innovations: (i) we analyze oil prices of two prominent markets namely West Texas Intermediate (WTI) and Brent using the two recently developed tests by Narayan and Popp (2010) and Liu and Narayan, 2010 both of which allow for two structural breaks in the data series; and (ii) the latter method is modified to include both symmetric and asymmetric volatility models. We identify two structural breaks that occur in 1990 and 2008 which coincidentally correspond to the Iraqi/Kuwait conflict and the global financial crisis, respectively. We find evidence of persistence and leverage effects in the oil price volatility. While further extensions can be pursued, the consideration of asymmetric effects as well as structural breaks should not be jettisoned when modelling oil price volatility.

Afees A. Salisu; Ismail O. Fasanya

2013-01-01T23:59:59.000Z

26

Characterization of the binding of fisetin and morin with chicken egg lysozyme using spectroscopic and molecular docking methods  

Science Journals Connector (OSTI)

...Dietary polyphenols are very essential and are widely studied compounds due to their various biological activities. The anti-bacterial protein, lysozyme is beneficial for its various biological properties and ...

Atanu Singha Roy; Jina Utreja…

2014-11-01T23:59:59.000Z

27

Scientists model brain structure to help computers recognize...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Do you see what I see? Scientists model brain structure to help computers recognize objects The team tried developing a computer model based on human neural structure and function,...

28

Modeling of magnetostrictive materials and structures  

SciTech Connect (OSTI)

The constitutive model for a magnetostrictive material and its effect on the structural response is presented in this article. The example of magnetostrictive material considered is the TERFENOL-D. As like the piezoelectric material, this material has two constitutive laws, one of which is the sensing law and the other is the actuation law, both of which are highly coupled and non-linear. For the purpose of analysis, the constitutive laws can be characterized as coupled or uncoupled and linear or non linear. Coupled model is studied without assuming any explicit direct relationship with magnetic field. In the linear coupled model, which is assumed to preserve the magnetic flux line continuity, the elastic modulus, the permeability and magnetoelastic constant are assumed as constant. In the nonlinear-coupled model, the nonlinearity is decoupled and solved separately for the magnetic domain and the mechanical domain using two nonlinear curves, namely the stress vs. strain curve and the magnetic flux density vs. magnetic field curve. This is performed by two different methods. In the first, the magnetic flux density is computed iteratively, while in the second, the artificial neural network is used, where in the trained network will give the necessary strain and magnetic flux density for a given magnetic field and stress level. The effect of nonlinearity is demonstrated on a simple magnetostrictive rod.

Gopalakrishnan, S. [Department of Aerospace Engineering Indian Institute of Science Bangalore 560 012 (India)

2008-07-29T23:59:59.000Z

29

Precision measurements of binary and multicomponent diffusion coefficients in protein solutions relevant to crystal growth: Lysozyme chloride in water and aqueous NaCl at pH 4.5 and 25{degree}C  

SciTech Connect (OSTI)

Accurate models of protein diffusion are important in a number of applications, including liquid-liquid phase separation and growth of protein crystals for X-ray diffraction studies. In concentrated multicomponent protein systems, significant deviations from pseudobinary behavior can be expected. Rayleigh interferometry is used to measure the four elements (D{sub if}){sub v} of the ternary diffusion coefficient matrix for the extensively investigated protein, hen egg-white lysozyme (component 1) in aqueous NaCl (component 2) at pH 4.5 and 25 C. These are the first multicomponent diffusion coefficients measured for any protein system at concentrations high enough to be relevant to modeling and prediction of crystal growth or other phase transitions, and the first for a system involving lysozyme at any concentration. The four ternary diffusion coefficients for the system lysozyme chloride/NaCl/water are reported for lysozyme chloride at 0.60 mM (8.6 mg/mL) and NaCl at concentrations of 0.25, 0.50, 0.65, 0.90, and 1.30 M (1.4, 2.8, 3.7, 5.1, and 7.2 wt %), with the latter two compositions being supersaturated. One cross-term, (D{sub 21}){sub v}, is 80--259 times larger than the main term (D{sub 11}){sub v} and 7--18 times larger than (D{sub 22}){sub v}. Standard interferometric diagnostic tests indicate that aggregation is unimportant in the experiments. The authors also present binary diffusion coefficients D{sub v} for lysozyme chloride/water at concentrations from 0.43 to 3.08 mM (6.2--44.1 mg/mL), at the same pH and temperature. The precision of the results is about 0.1% for the binary diffusion coefficients and diagonal ternary diffusion coefficients, and about 1--2% for the cross-terms. For the ternary systems investigated, they show that a single pseudobinary diffusion coefficient does not accurately describe diffusive transport, and predictions by simple models such as the Nernst-Hartley equations are inaccurate at the higher concentrations considered here. Finally, dynamic light-scattering diffusion coefficients, differing form both the interferometrically measured (D{sub ij}){sub v} and a theoretical prediction of light-scattering diffusion coefficients in multicomponent systems, are reported for the same solutions used for the ternary experiments at 1.30 M.

Albright, J.G.; Annunziata, O. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; Miller, D.G. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; [Lawrence Livermore National Lab., CA (United States); Paduano, L. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; [Univ. di Napoli, Naples (Italy). Dipt. di Chimica; Pearlstein, A.J. [Univ. of Illinois, Urbana, IL (United States). Dept. of Mechanical and Industrial Engineering] [Univ. of Illinois, Urbana, IL (United States). Dept. of Mechanical and Industrial Engineering

1999-04-14T23:59:59.000Z

30

Shell model level structure of 216Fr  

Science Journals Connector (OSTI)

Sources of 220Ac in secular equilibrium with 221Pa were produced using the reaction 209Bi(18O,3n)224Pa. The alpha decay of 220Ac and coincident gamma and electron spectra were used to study the level structure of 216Fr. The levels in 216Fr can be interpreted in terms of the ?(h9/2)9/25?(g9/2)9/23, ?(h9/2)04(f7/2)7/2?(g9/2)9/23, and ?(h9/2)9/25?(g9/2)02(i11/2)11/2 shell model configurations. The alpha decay hindrance factors of the ground state to ground state transitions in the sequence 224Pa?220Ac?216Fr?212At suggest the collapse of quadrupole-octupole Nilsson orbitals into the more degenerate shell model orbitals. The sequence of hindrance factors in this odd chain are mirrored in the corresponding odd proton and odd neutron sequences beginning with 223Pa and 223Th, respectively.

R. K. Sheline; C. F. Liang; P. Paris; A. Gizon

1997-03-01T23:59:59.000Z

31

A Structure-Conveying Modelling Language for Mathematical and ...  

E-Print Network [OSTI]

Mar 24, 2009 ... proach does not scramble the block structure of the problem, and thus it ...... J. Gondzio, Optimization modeling languages, in Handbook of Ap-.

2009-09-29T23:59:59.000Z

32

Generating Counterexamples for Structural Inductions by Exploiting Nonstandard Models  

E-Print Network [OSTI]

Generating Counterexamples for Structural Inductions by Exploiting Nonstandard Models Jasmin 2 Dept. of CSE, Chalmers University of Technology, Gothenburg, Sweden Abstract. Induction proofs the theorem or prove auxiliary properties before performing the induction step. (Counter)model finders

Cengarle, María Victoria

33

Robust nite-di erence modelling of complex structures1  

E-Print Network [OSTI]

with the 1Proc. of HIGH PERFORMANCE COMPUTING IN SEISMIC MODELLING, An International Sympo- sium, Zaragoza-difference modelling of complex structures Paper No. 15 in Proc. of Int. Symposium on High Performance Computing

Oprsal, Ivo

34

A dynamic term structure model of Central Bank policy  

E-Print Network [OSTI]

This thesis investigates the implications of explicitly modeling the monetary policy of the Central Bank within a Dynamic Term Structure Model (DTSM). We follow Piazzesi (2005) and implement monetary policy by including ...

Staker, Shawn W

2009-01-01T23:59:59.000Z

35

Phenomenological band structure model of magnetic coupling in semiconductors  

E-Print Network [OSTI]

Phenomenological band structure model of magnetic coupling in semiconductors Gustavo M. Dalpian a,1­18]. Several models have been proposed to explain the phenomena, including the phenomenological Zener

Gong, Xingao

36

Modeling covariance structure in unbalanced longitudinal data  

E-Print Network [OSTI]

and BIC for several models for Kenward?s cattle data. . . . . . . . . . . . . . . . . . . . . . . . . 33 2 Simulation results for fixed-effects models: average maximum like- lihood estimators and Monte Carlo standard deviations from the true model and five... scenarios considered in the simulation study. . . . 34 3 Simulation results for mixed-effects models: average maximum likelihood estimators and Monte Carlo standard deviations from the true model and five scenarios considered in the simulation study. . 55 ix...

Chen, Min

2009-05-15T23:59:59.000Z

37

Lower bounds on sample size in structural equation modeling  

Science Journals Connector (OSTI)

Computationally intensive structural equation modeling (SEM) approaches have been in development over much of the 20th century, initiated by the seminal work of Sewall Wright. To this day, sample size requirements remain a vexing question in SEM based ... Keywords: AMOS, Common factor bias, Gini correlation, LISREL, PLS, Partial least squares, Rule of 10, SEM, Sample size, Structural equation modeling

J. Christopher Westland

2010-11-01T23:59:59.000Z

38

Investigation of tornado models and structure by use of radar  

E-Print Network [OSTI]

Vortex Theory . parent Call Structure Distributioa of snd Coaditioas in the Air Masses . Tornado Structure ~ ~ ~ ~ ~ ~ ~, ~ ~ ~ * Dissussiea of Ccaditions and Models Revise of Various Models . Directioa of plou Directica of Rotstioa... Vortex 30 10. Ridge of Cold Air with Contour Lines ll. Norixontal Pro)ection of Tornado and Associated 33 Thunderstorn Call 37 12. Vertical Cross Section through the Eye of a Tornado Justification. Contributions to our knowledge of the structure...

Finley, William Andrew

2012-06-07T23:59:59.000Z

39

Tetragonal structure model for boehmite-derived ?-alumina  

Science Journals Connector (OSTI)

?-alumina (?-Al2O3) derived from boehmite has historically been described as having a cubic spinel structure with Fd3¯m symmetry, despite reports of tetragonal distortion in the structure. Based on neutron diffraction, transmission electron microscopy, and magic angle spinning NMR data, we propose a tetragonal model for the structure of boehmite-derived ?-Al2O3 with I41/amd space group symmetry, a maximal subgroup of Fd3¯m. It is also demonstrated that an accurate average structural model cannot be achieved if the cations are restricted to spinel positions.

G. Paglia; C. E. Buckley; A. L. Rohl; B. A. Hunter; R. D. Hart; J. V. Hanna; L. T. Byrne

2003-10-27T23:59:59.000Z

40

Artificial Neural Networks and Hidden Markov Models for Predicting the Protein Structures: The Secondary Structure  

E-Print Network [OSTI]

1 Artificial Neural Networks and Hidden Markov Models for Predicting the Protein Structures advice on the development of this project #12;2 Artificial Neural Networks and Hidden Markov Models learning methods: artificial neural networks (ANN) and hidden Markov models (HMM) (Rost 2002; Karplus et al

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

The IMPACTT model: Structure and technical description  

SciTech Connect (OSTI)

The Integrated Market Penetration and Anticipated Cost of Transportation Technologies model, or IMPACTT, is a spreadsheet model that calculates the effect of advanced-technology vehicles and market penetration on baseline fuel use and emissions. Outputs include estimates of the quantity and value of oil displaced and emissions reduced by advanced-technology vehicles, the quantity of alternative fuels they consume, and the total incremental costs bome by purchasers of advanced-technology vehicles. In the current version of IMPACTT, up to eight fuel or engine technologies applicable to light-duty vehicles can be modeled by using a three-phase approach. First, the vehicle stock and miles traveled by the advanced-technology vehicle are determined. Second, assumptions about efficiency and fuel shares are used to estimate substitution-fuel use and oil displacement. Third, changes in emissions of carbon monoxide, non-methane hydrocarbons, nitrogen oxides, and carbon dioxide are computed.

Mintz, M.M.; Tompkins, M.M.; Camp, J.

1994-12-01T23:59:59.000Z

42

Linking Models and Data on Vegetation Structure Submitted to  

E-Print Network [OSTI]

Linking Models and Data on Vegetation Structure Submitted to: Journal of Geophysical Research the original development of "Nachhaltigkeit" or in English "sustainability" with the Germans in the mid-18th

Moorcroft, Paul R.

43

Purchasing Power Parity: Error Correction Models and Structural Breaks  

Science Journals Connector (OSTI)

This paper examines purchasing power parity (PPP) behavior using error correction models (ECM) and allowing for structural breaks. We distinguish four different objectives: first, this paper examines which var...

Amalia Morales Zumaquero; Rodrigo Peruga Urrea

2002-01-01T23:59:59.000Z

44

MODELLING UNCONSOLIDATED RUBBLE FORCES ON A CYLINDRICAL STRUCTURE  

E-Print Network [OSTI]

, MODELLING UNCONSOLIDATED RUBBLE FORCES ON A CYLINDRICAL STRUCTURE RF. McKenna and S structlJre and unconsolidated ice ridges. The tests were conducted with a 0.32 m diameter structure in unconsolidated ridges are given in McKenna el al. (1995). The tests provide a means of correlating the forces

Bruneau, Steve

45

Creative industries urban model: structure and functioning  

E-Print Network [OSTI]

initiate office refurbishment/construction projects and real estate refurbishment/development projects accordingly. In addition, by studying the evolution of land-use transformation displayed by the model, areas not productive to invest are easily... ). Later, their contribution to support urban creativity (Stam and Jeroen et al, 2008; Scott, 2006), facilitate urban regeneration (Pratt, 2009; Evans, 2005), and promote sustainable urban development (Kakiuchi, 2012; Forum for the Future, 2010) is also...

Liu, Helen; Silva, Elisabete A.

2014-01-01T23:59:59.000Z

46

Scaled Experimental Modeling of Geologic Structures Rutgers University  

E-Print Network [OSTI]

of uncertainty associated with hydrocarbon exploration and production. Furthermore, experimental models allow us in the Department of Geological Sciences at Rutgers University. She has thirty years of experience in the oil & gas experimental models provide valuable information about structural processes, especially those not observed

47

Material-modeling and structural-mechanics aspects  

E-Print Network [OSTI]

Material-modeling and structural-mechanics aspects of the traumatic brain injury problem M for causing traumatic brain injury. Design/methodology/approach ­ Two levels of blast peak overpressure were computational investigation of impact on a human skull/brain assembly. Keywords Brain, Injuries, Modeling

Grujicic, Mica

48

Modeling Structural Heterogeneity in Proteins From X-Ray Data  

E-Print Network [OSTI]

Modeling Structural Heterogeneity in Proteins From X-Ray Data Ankur Dhanik1 , Henry van den Bedem2: In a crystallographic experiment, a protein is precipitated to obtain a crystalline sample (crystal) containing many determination and density calculation. The protein conformation is modeled by placing the atoms in 3-D space

Pratt, Vaughan

49

Renaissance of paper models and folded plate structures in glass  

Science Journals Connector (OSTI)

This paper presents the development of glass folded plate structures. Glass will not only be used as a transparent covering but as a load-bearing element for the whole structure. A complete outline ranging from the architectural approach including simple paper models to structural analysis will be presented. The structural concept and its functional characteristics will be confirmed by finite element analysis. Moreover, this paper will also put into focus the geometrical diversity and individuality and will present mathematical algorithms as definitions of the geometrical freeform.

Stefan Trometer; Mathias Krupna

2010-01-01T23:59:59.000Z

50

Modeling and Feed?Forward Control of Structural Elastic Robots  

Science Journals Connector (OSTI)

In this paper an approach for modeling and control of robots with elasticities in power trains and in structural parts is presented and experimentally verified. For this purpose object?oriented nonlinear models are developed in the modeling language Modelica. A system theoretical study of the generated models shows that a direct inversion of the models due to the unstable zero dynamics is not possible. Therefore an algorithm for the approximate inversion is developed. With this inversion method an approximate inverse model considering structural elasticity for a 6?axis robot is created and verified for the control of the robot. The new control leads to a considerable improvement of the driving characteristics of the robot in the experiment.

M. Reiner; M. Otter; H. Ulbrich

2010-01-01T23:59:59.000Z

51

Use of Stabilizing Mutations To Engineer a Charged Group within a Ligand-Binding Hydrophobic Cavity in T4 Lysozyme  

Science Journals Connector (OSTI)

Use of Stabilizing Mutations To Engineer a Charged Group within a Ligand-Binding Hydrophobic Cavity in T4 Lysozyme ... This disrupts the hydrogen-bond network and causes the Glu102 side chain to move away from the ligand by up to 0.8 Å where it remains buried in a completely nonpolar environment. ... Brenk et al. (36) have explored the use of an engineered cavity of comparable volume in cytochrome c peroxidase that also includes a negative charge (Asp23). ...

Lijun Liu; Walter A. Baase; Miya M. Michael; Brian W. Matthews

2009-08-10T23:59:59.000Z

52

A Preliminary Structural Model for the Blue Mountain Geothermal Field,  

Open Energy Info (EERE)

Structural Model for the Blue Mountain Geothermal Field, Structural Model for the Blue Mountain Geothermal Field, Humboldt County, Nevada Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Preliminary Structural Model for the Blue Mountain Geothermal Field, Humboldt County, Nevada Abstract The Blue Mountain geothermal field is a blind geothermalprospect (i.e., no surface hot springs) along the west flank of BlueMountain in southern Humboldt County, Nevada. Developmentwells in the system have high flow rates and temperatures above190°C at depths of ~600 to 1,070 m. Blue Mountain is a small~8-km-long east-tilted fault block situated between the EugeneMountains and Slumbering Hills. The geothermal field occupiesthe intersection between a regional NNE- to ENE-striking,west-dipping

53

Advances on statistical/thermodynamical models for unpolarized structure functions  

SciTech Connect (OSTI)

During the eights and nineties many statistical/thermodynamical models were proposed to describe the nucleons' structure functions and distribution of the quarks in the hadrons. Most of these models describe the compound quarks and gluons inside the nucleon as a Fermi / Bose gas respectively, confined in a MIT bag with continuous energy levels. Another models considers discrete spectrum. Some interesting features of the nucleons are obtained by these models, like the sea asymmetries {sup -}d/{sup -}u and {sup -}d-{sup -}u.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Universidade Federal dos Vales do Jequitinhonha e Mucuri, Campus do Mucuri, 39803-371, Teofilo Otoni, Minas Gerais (Brazil); Tomio, Lauro [Instituto de Fisica Teorica, Universidade Estadual Paulista, R. Dr. Bento Teobaldo Ferraz 271, Bl II Barra Funda, 01140070, Sao Paulo, SP (Brazil)

2013-03-25T23:59:59.000Z

54

Modelling and analysis of a novel wind turbine structure  

Science Journals Connector (OSTI)

This study introduces a novel wind turbine structure for an urban environment. A computational modelling has been conducted to investigate the effect of the new structure on the flow behaviour of entrance wind through the structure and the feasibility of the new wind turbine working at different wind speeds in an urban area. The wind flow behaviour through a chamber of the wind turbine structure has resulted in an increase of 1.3 times of the wind velocity at the outlet of the wind turbine. This is equivalent to 2.5 times increase of wind energy. The wind tunnel tests were carried out to validate the simulation results. There is a good correlation between the experimental and computational results. It is evident that the presented computational method can predict and evaluate the performance of this new type of shroud structure in an urban environment.

Xu Zhang; Yong K. Chen; Rajnish K. Calay

2013-01-01T23:59:59.000Z

55

Statistical quark models for the nucleon structure functions  

SciTech Connect (OSTI)

We consider some existing relativistic models for the nucleon structure functions, relying on statistical approaches instead of perturbative ones. These models are based on the Fermi-Dirac distribution for the confined quarks, where a density of energy levels is obtained from an effective confining potential. In this context, it is presented some results obtained with a recent statistical quark model for the sea-quark asymmetry in the nucleon. It is shown, within this model, that experimental available observables, such as the ratio and difference between proton and neutron structure functions, are quite well reproduced with just three parameters: two chemical potentials used to reproduce the valence up and down quark numbers in the nucleon, and a temperature that is being used to reproduce the Gottfried sum rule violation.

Mirez, Carlos [Instituto de Fisica Teorica, Universidade Estadual Paulista, Rua Dr. Bento Teobaldo Ferraz, 271, Barra-Funda, 01140-070, Sao Paulo, SP (Brazil); Tomio, Lauro [Instituto de Fisica Teorica, Universidade Estadual Paulista, Rua Dr. Bento Teobaldo Ferraz, 271, Barra-Funda, 01140-070, Sao Paulo, SP (Brazil); Instituto de Fisica, Universidade Federal Fluminense, 24210-346, Niteroi, RJ (Brazil)

2010-11-12T23:59:59.000Z

56

A no extensive statistical model for the nucleon structure function  

SciTech Connect (OSTI)

We studied an application of nonextensive thermodynamics to describe the structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and two chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Instituto de Ciencia, Engenharia e Tecnologia - ICET, Universidade Federal dos Vales do Jequitinhonha e Mucuri - UFVJM, Campus do Mucuri, Rua do Cruzeiro 01, Jardim Sao Paulo, 39803-371, Teofilo Otoni, Minas Gerais (Brazil)

2013-03-25T23:59:59.000Z

57

Application of a New Structural Model and Exploration Technologies to  

Open Energy Info (EERE)

New Structural Model and Exploration Technologies to New Structural Model and Exploration Technologies to Define a Blind Geothermal System: A Viable Alternative to Grid-Drilling for Geothermal Exploration: McCoy, Churchill County, NV Geothermal Project Jump to: navigation, search Last modified on July 22, 2011. Project Title Application of a New Structural Model and Exploration Technologies to Define a Blind Geothermal System: A Viable Alternative to Grid-Drilling for Geothermal Exploration: McCoy, Churchill County, NV Project Type / Topic 1 Recovery Act: Geothermal Technologies Program Project Type / Topic 2 Validation of Innovative Exploration Technologies Project Description The structural model is based on the role of subsurface igneous dikes providing a buttressing effect in a regional strain field such that permeability is greatly enhanced. The basic thermal anomaly at McCoy was defined by substantial U.S. Department of Energy-funded temperature gradient drilling and geophysical studies conducted during the period 1978 to 1982. This database will be augmented with modern magnetotelluric, controlled-source audio-magnetotelluric, and 2D/3D reflection seismic surveys to define likely fluid up-flow plumes that will be drilled with slant-hole technology. Two sites for production-capable wells will be drilled in geothermally prospective areas identified in this manner. The uniqueness of this proposal lies in the use of a full suite of modern geophysical tools, use of slant-hole drilling, and the extensive technical database from previous DOE funding.

58

The PDB_REDO server for macromolecular structure model optimization  

Science Journals Connector (OSTI)

The PDB_REDO pipeline aims to improve macromolecular structures by optimizing the crystallographic refinement parameters and performing partial model building. Here, algorithms are presented that allowed a web-server implementation of PDB_REDO, and the first user results are discussed.

Joosten, R.P.

2014-05-30T23:59:59.000Z

59

Structural Modelling of Financial Constraints on Investment: Where Do We  

E-Print Network [OSTI]

Structural Modelling of Financial Constraints on Investment: Where Do We Stand? Jean tests of investment facing financial constraints, to their link with firms data and asset prices the interpretation of the sensitivity of investment to liquidity variables such as cash flow as a measure

Paris-Sud XI, Université de

60

Structured Deformations as Energy Minimizers in Models of Fracture and  

E-Print Network [OSTI]

Structured Deformations as Energy Minimizers in Models of Fracture and Hysteresis R. Choksi and for a bar experiencing both smooth exten- sion and macroscopic fractures then are determined, and applications to the shearing of single crystals and to the cohesive fracture of solids are discussed. Yield

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61

Bayesian Estimation and Testing of Structural Equation Models Richard Scheines  

E-Print Network [OSTI]

Carnegie Mellon University, USA Herbert Hoijtink Dept. of Methodology and Statistics University of Utrecht applying the Gibbs sampler to structural equation models to the first author at a 1994 workshop be applied to obtain a sample from the posterior distribution over the parameters of a SEM. We present

Spirtes, Peter

62

Coupling structural and functional models for interaction design  

Science Journals Connector (OSTI)

......map. Structural models, such as the subway map in this example, describe the internal...instance, returning to the example of the subway passenger given above, the passenger's...word processor, a cellular phone, a car audio system, and an ultrasonic device. The......

Dong-Seok Lee; Wan Chul Yoon

2004-02-01T23:59:59.000Z

63

A meta-modeling simulation of structure abandonment timing decisions  

Science Journals Connector (OSTI)

An offshore oil and gas structure will be decommissioned and removed from service at the end of its productive life, depending upon operator preferences, legislative requirements, and strategic opportunities. The basic aim of decommissioning is to render all wells permanently safe and remove most, if not all, surface/seabed signs of production activity. The purpose of this paper is to characterize the timing decisions associated with abandoning offshore oil and gas structures. Three models are developed, ranging from a production-based forecast to a risked, net present value approach. Functions that describe how the age of the structure upon abandonment is related to system parameters is constructed using a meta-modeling simulation and illustrated on a generic field development scenario.

Mark J. Kaiser

2006-01-01T23:59:59.000Z

64

Generative Models for Super-Resolution Single Molecule Microscopy Images of Biological Structures  

E-Print Network [OSTI]

an information bridge between super-resolution microscopy and structural biology by using generative models

Matsuda, Noboru

65

Scientists model brain structure to help computers recognize objects  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Do you see what I see? Do you see what I see? Scientists model brain structure to help computers recognize objects The team tried developing a computer model based on human neural structure and function, to do what we do, and possibly do it better. December 20, 2011 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials.

66

Eep confers lysozyme resistance to enterococcus faecalis via the activation of the extracytoplasmic function sigma factor SigV  

E-Print Network [OSTI]

- sozyme (5). This high-level resistance to lysozyme (#1;62mg/ml) is predominantly attributed to the extracytoplasmic function (ECF) sigma factor SigV (5). ECF sigma factors are sequestered by mem- brane-bound anti-sigma factors and rendered inactive... selectable and counterselectable markers that aid in the selection of mutants containing the targeted deletions. The primers used for all the deletions are listed in Table 3. Flanking regions (#4;1 kb) from both the 5= and 3= ends of sigV, rsiV, pgdA, and eep...

Varahan, Siram; Iyer, Vljayalakshmi S.; Moore, William T.; Hancock, Lynn E.

2013-05-03T23:59:59.000Z

67

Model electrode structures for studies of electrocatalyst degradation.  

SciTech Connect (OSTI)

Proton exchange membrane fuel cells are being extensively studied as power sources because of their technological advantages such as high energy efficiency and environmental friendliness. The most effective catalyst in these systems consists of nanoparticles of Pt or Pt-based alloys on carbon supports. Understanding the role of the nanoparticle size and structure on the catalytic activity and degradation is needed to optimize the fuel cell performance and reduce the noble metal loading. One of the more significant causes of fuel cell performance degradation is the cathode catalyst deactivation. There are four mechanisms considered relevant to the loss of electrochemically active surface area of Pt in the fuel cell electrodes that contribute to cathode catalyst degradation including: catalyst particle sintering such as Ostwald ripening, migration and coalescence, carbon corrosion and catalyst dissolution. Most approaches to study this catalyst degradation utilize membrane electrode assemblies (MEAs), which results in a complex system where it is difficult to deconvolute the effects of the metal nanoparticles. Our research addresses catalyst degradation by taking a fundamental approach to study electrocatalyst using model supports. Nanostructured particle arrays are engineered directly onto planar glassy carbon electrodes. These model electrocatalyst structures are applied to electrochemical activity measurements using a rotating disk electrode and surface characterization by scanning electron microscopy. Sample transfer between these measurement techniques enables examination of the same catalyst area before and after electrochemical cycling. This is useful to probe relationships between electrochemical activity and catalyst structure such as particle size and spacing. These model systems are applied to accelerated aging studies of activity degradation. We will present our work demonstrating the mechanistic aspects of catalyst degradation using this simplified geometric system. The active surface area loss observed in repeated cyclic voltammetry is explained through characterization and imaging of the same RDE electrode structures throughout the aging process.

St. Pierre, Jean (University of South Carolina); Atanassov, Plamen Borissov (University of New Mexico); Datye, Abhaya K. (University of New Mexico); Goeke, Ronald S. (University of New Mexico)

2010-10-01T23:59:59.000Z

68

Ultrafast Structural Dynamics in Combustion Relevant Model Systems  

SciTech Connect (OSTI)

The research project explored the time resolved structural dynamics of important model reaction system using an array of novel methods that were developed specifically for this purpose. They include time resolved electron diffraction, time resolved relativistic electron diffraction, and time resolved Rydberg fingerprint spectroscopy. Toward the end of the funding period, we also developed time-resolved x-ray diffraction, which uses ultrafast x-ray pulses at LCLS. Those experiments are just now blossoming, as the funding period expired. In the following, the time resolved Rydberg Fingerprint Spectroscopy is discussed in some detail, as it has been a very productive method. The binding energy of an electron in a Rydberg state, that is, the energy difference between the Rydberg level and the ground state of the molecular ion, has been found to be a uniquely powerful tool to characterize the molecular structure. To rationalize the structure sensitivity we invoke a picture from electron diffraction: when it passes the molecular ion core, the Rydberg electron experiences a phase shift compared to an electron in a hydrogen atom. This phase shift requires an adjustment of the binding energy of the electron, which is measurable. As in electron diffraction, the phase shift depends on the molecular, geometrical structure, so that a measurement of the electron binding energy can be interpreted as a measurement of the molecule’s structure. Building on this insight, we have developed a structurally sensitive spectroscopy: the molecule is first elevated to the Rydberg state, and the binding energy is then measured using photoelectron spectroscopy. The molecule’s structure is read out as the binding energy spectrum. Since the photoionization can be done with ultrafast laser pulses, the technique is inherently capable of a time resolution in the femtosecond regime. For the purpose of identifying the structures of molecules during chemical reactions, and for the analysis of molecular species in the hot environments of combustion processes, there are several features that make the Rydberg ionization spectroscopy uniquely useful. First, the Rydberg electron’s orbit is quite large and covers the entire molecule for most molecular structures of combustion interest. Secondly, the ionization does not change vibrational quantum numbers, so that even complicated and large molecules can be observed with fairly well resolved spectra. In fact, the spectroscopy is blind to vibrational excitation of the molecule. This has the interesting consequence for the study of chemical dynamics, where the molecules are invariably very energetic, that the molecular structures are observed unobstructed by the vibrational congestion that dominates other spectroscopies. This implies also that, as a tool to probe the time-dependent structural dynamics of chemically interesting molecules, Rydberg spectroscopy may well be better suited than electron or x-ray diffraction. With recent progress in calculating Rydberg binding energy spectra, we are approaching the point where the method can be evolved into a structure determination method. To implement the Rydberg ionization spectroscopy we use a molecular beam based, time-resolved pump-probe multi-photon ionization/photoelectron scheme in which a first laser pulse excites the molecule to a Rydberg state, and a probe pulse ionizes the molecule. A time-of-flight detector measures the kinetic energy spectrum of the photoelectrons. The photoelectron spectrum directly provides the binding energy of the electron, and thereby reveals the molecule’s time-dependent structural fingerprint. Only the duration of the laser pulses limits the time resolution. With a new laser system, we have now reached time resolutions better than 100 fs, although very deep UV wavelengths (down to 190 nm) have slightly longer instrument functions. The structural dynamics of molecules in Rydberg-excited states is obtained by delaying the probe ionization photon from the pump photon; the structural dynamics of molecules in their ground state or e

Weber, Peter M. [Brown University

2014-03-31T23:59:59.000Z

69

A 'BOOSTED FIREBALL' MODEL FOR STRUCTURED RELATIVISTIC JETS  

SciTech Connect (OSTI)

We present a model for relativistic jets which generates a particular angular distribution of Lorentz factor and energy per solid angle. We consider a fireball with specific internal energy E/M launched with bulk Lorentz factor ? {sub B}. In its center-of-momentum frame the fireball expands isotropically, converting its internal energy into radially expanding flow with asymptotic Lorentz factor ?{sub 0} ? E/M. In the lab frame the flow is beamed, expanding with Lorentz factor ? = 2?{sub 0}? {sub B} in the direction of its initial bulk motion and with characteristic opening angle ?{sub 0} ? 1/? {sub B}. The flow is jet-like with ??{sub 0} ? 2?{sub 0} such that jets with ? > 1/?{sub 0} are naturally produced. The choice ?{sub 0} ? ? {sub B} ? 10 yields a jet with ? ? 200 on-axis and angular structure characterized by opening angle ?{sub 0} ? 0.1 of relevance for cosmological gamma-ray bursts (GRBs), while ? {sub B} ?> 1 may be relevant for low-luminosity GRBs. The model produces a family of outflows, of relevance for different relativistic phenomena with structures completely determined by ?{sub 0} and ? {sub B}. We calculate the energy per unit solid angle for the model and use it to compute light curves for comparison with the widely used top-hat model. The jet break in the boosted fireball light curve is greatly subdued when compared to the top-hat model because the edge of the jet is smoother than for a top-hat. This may explain missing jet breaks in afterglow light curves.

Duffell, Paul C.; MacFadyen, Andrew I., E-mail: pcd233@nyu.edu, E-mail: macfadyen@nyu.edu [Center for Cosmology and Particle Physics, New York University, NY (United States)

2013-10-10T23:59:59.000Z

70

Growing network model for community with group structure  

Science Journals Connector (OSTI)

We propose a growing network model for a community with a group structure. The community consists of individual members and groups, gatherings of members. The community grows as a new member is introduced by an existing member at each time step. The new member then creates a new group or joins one of the groups of the introducer. We investigate the emerging community structure analytically and numerically. The group size distribution shows a power-law distribution for a variety of growth rules, while the activity distribution follows an exponential or a power law depending on the details of the growth rule. We also present an analysis of empirical data from online communities the “Groups” in http://www.yahoo.com and the “Cafe” in http://www.daum.net, which show a power-law distribution for a wide range of group sizes.

Jae Dong Noh; Hyeong-Chai Jeong; Yong-Yeol Ahn; Hawoong Jeong

2005-03-23T23:59:59.000Z

71

Comparison of Arabinoxylan Structure in Bioenergy and Model Grasses  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Arabinoxylan Arabinoxylan Structure in Bioenergy and Model Grasses Ameya R. Kulkarni, 1 Sivakumar Pattathil, 1 Michael G. Hahn, 1,2 William S. York, 1,3 and Malcolm A. O'Neill 1 1 Complex Carbohydrate Research Center and US Department of Energy BioEnergy Science Center, 2 Department of Plant Biology, and 3 Department of Biochemistry and Molecular Biology, University of Georgia, Athens, GA Abstract Heteroxylans were solubilized from the alcohol-insoluble residue of switchgrass, rice, Brachypodium, Miscanthus, foxtail millet, and poplar with 1 M KOH. A combination of enzymatic, chemical, nu- clear magnetic resonance (NMR), mass spectroscopic, and immu- nological techniques indicated that grass arabinoxylans have comparable structures and contain no discernible amount of the reducing end sequence present in dicot glucuronoxylan. Our data suggest that rice, Brachypodium, and foxtail

72

New model updating method for damped structural systems  

Science Journals Connector (OSTI)

In this paper, the following two problems are considered: Problem I Given a full column rank matrix X@?R^n^x^k, a diagonal matrix @L@?R^k^x^k(k@?n) and matrices M"a@?R^n^x^n,C"0,K"0@?R^r^x^r, find nxn matrices C,K such that M"aX@L^2+CX@L+KX=0, s. t.C([1,r])=C"0,K([1,r])=K"0, ... Keywords: Best approximation, Damped structural systems, Inverse problem, Model updating, Quadratic eigenvalue problem

Hao Liu; Yongxin Yuan

2009-03-01T23:59:59.000Z

73

Atomic and Electronic Structure of the FeO (111)/MgO(111) Model...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Electronic Structure of the FeO (111)MgO(111) Model Polar Oxide Interface. Atomic and Electronic Structure of the FeO (111)MgO(111) Model Polar Oxide Interface. Abstract: High...

74

A component-based debugging approach for detecting structural inconsistencies in declarative equation based models  

Science Journals Connector (OSTI)

Object-oriented modeling with declarative equation based languages often unconsciously leads to structural inconsistencies. Component-based debugging is a new structural analysis approach that addresses this problem by analyzing the structure of each ... Keywords: component-based debugging, declarative model, modelica, simulation, structural inconsistency

Jian-Wan Ding; Li-Ping Chen; Fan-Li Zhou

2006-05-01T23:59:59.000Z

75

PROTOPLANETARY DISK STRUCTURE WITH GRAIN EVOLUTION: THE ANDES MODEL  

SciTech Connect (OSTI)

We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes (1) a 1+1D frequency-dependent continuum radiative transfer module, (2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes and surface reactions, (3) a module to calculate the gas thermal energy balance, and (4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains onto the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R {approx}< 50 AU) and lower in the outer disk (R {approx}> 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO{sub 2}, NH{sub 2}CN, HNO, H{sub 2}O, HCOOH, HCN, and CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.

Akimkin, V.; Wiebe, D.; Pavlyuchenkov, Ya. [Institute of Astronomy of the RAS, Pyatnitskaya str. 48, Moscow (Russian Federation)] [Institute of Astronomy of the RAS, Pyatnitskaya str. 48, Moscow (Russian Federation); Zhukovska, S.; Semenov, D.; Henning, Th. [Max-Planck-Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany)] [Max-Planck-Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany); Vasyunin, A. [Department of Chemistry, The University of Virginia, VA (United States)] [Department of Chemistry, The University of Virginia, VA (United States); Birnstiel, T., E-mail: akimkin@inasan.ru, E-mail: dwiebe@inasan.ru, E-mail: pavyar@inasan.ru, E-mail: zhukovska@mpia.de, E-mail: semenov@mpia.de, E-mail: henning@mpia.de, E-mail: anton.vasyunin@gmail.com, E-mail: tbirnstiel@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

2013-03-20T23:59:59.000Z

76

Speeding Up the Process of Modeling Temporary Structures in a Building Information Model Using Predefined Families  

E-Print Network [OSTI]

systems and formworks, are good examples. Although these structures play a significant role in the logistics of the jobsite, there are neither a special tools nor predefined objects in BIM applications to help model these elements. In this case study a...

Sabahi, Parsa

2012-02-14T23:59:59.000Z

77

Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering  

SciTech Connect (OSTI)

Synchrotron small angle x-ray scattering (SAXS) has been applied to the structural study of several biological systems, including the nitrogenase complex, the heat shock cognate protein (hsc70), and lysozyme folding. The structural information revealed from the SAXS experiments is complementary to information obtained by other physical and biochemical methods, and adds to our knowledge and understanding of these systems.

Chen, Lingling

1996-04-01T23:59:59.000Z

78

Geometric model of the structure of the neutron  

E-Print Network [OSTI]

The paper examines the geometrical properties of a six-dimensional Kaluza-Klein type model. They may have an impact on the model of the structure of a neutron and its excited states in the realm of one particle physics. The statistical reason for the six-dimensionality and the stability of the solution is given. The derivation of the weak limit approximation of the general wave mechanical (quantum mechanical) approach, defined in the context of losing its self-consistency (here gravitational), is presented. The non self-consistent case for the Klein-Gordon equation is defined. The derivation of the energy of states and the analysis of the spin origin of the analyzed fields configuration is presented as the manifestation of both the geometry of the internal two-dimensional space and kinematics of fields inside it. The problem of the departure from the (gravitational) self-consistent calculations of the metric tensor and of other fields of the configuration is discussed. The implementation of the model for the description of a neutron and its excited states, including their spins and energies, is given. The informational reason for the existence of the internal extra space dimensions is proposed.

Jacek Syska

2009-03-17T23:59:59.000Z

79

Mnemonic Structure and Sociality: A Computational Agent-Based Simulation Model  

E-Print Network [OSTI]

Mnemonic Structure and Sociality: A Computational Agent-Based Simulation Model Claudio Cioffi-agent social simulation models are designed with agents lacking explicit internal information transformations affect human and social dynamics? Most computational multi-agent social simulation models

George Mason University

80

CONTROL-ORIENTED MODELING OF A SOLID-OXIDE FUEL CELL STACK USING AN LPV MODEL STRUCTURE  

E-Print Network [OSTI]

CONTROL-ORIENTED MODELING OF A SOLID-OXIDE FUEL CELL STACK USING AN LPV MODEL STRUCTURE Borhan M dynamic model of a solid oxide fuel cell stack. Using a detailed physical model as a starting point, we (usually air) on the cathode side. Solid-oxide fuel cells (SOFCs) utilize a ceramic oxygen-ion conducting

Sanandaji, Borhan M.

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Recovery of 3D Solar Magnetic Field Model Parameter Using Image Structure Matching  

Science Journals Connector (OSTI)

An approach to recover a 3D solar magnetic field model parameter using intensity images of the Sun's corona is introduced. The approach is a quantitative approach in which the 3D model parameter is determined via an image structure matching scheme. The ... Keywords: 3D Parameter Recovery, Image-based Modeling, Structure Matching

Jong Kwan Lee; G. Allen Gary

2009-05-01T23:59:59.000Z

82

A new framework for the simulation of equation-based models with variable structure  

Science Journals Connector (OSTI)

Many modern models contain changes that affect the structure of their underlying equation system, e.g. the breaking of mechanical devices or the switching of ideal diodes. The modeling and simulation of such systems in current equation-based languages ... Keywords: differential-algebraic equations, equation-based modeling, index reduction, variable-structure systems

Dirk Zimmer

2013-08-01T23:59:59.000Z

83

A Model for Structure and Thermodynamics of ssDNA and dsDNA Near...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Structure and Thermodynamics of ssDNA and dsDNA Near a Surface:A Coarse Grained Approach. A Model for Structure and Thermodynamics of ssDNA and dsDNA Near a Surface:A Coarse...

84

A schistosomiasis model with mating structure and time delay  

E-Print Network [OSTI]

Nov 22, 2007 ... the parasite's mating structure, multiple resistant schistosome strains, and biological complexity associated with the parasite's life cycle.

2008-01-23T23:59:59.000Z

85

A lattice model to simulate ice-structure interaction  

E-Print Network [OSTI]

of the forces exerted by ice sheets on oil rigs is of great interest for designers of offshore structures. Over and offshore structures is of key im- portance in the design of offshore platforms in the Arctic. Unfortunately at drawing some conclusions about the forces exerted on large-scale structures such as oil rigs

Boyer, Edmond

86

Simulation of systems with dynamically varying model structure  

Science Journals Connector (OSTI)

Hybrid systems are dynamical systems composed of components with discrete and continuous behavior. Some systems change their structure during simulation, or their components behavior is essentially changing. This ''structural dynamics'' can be described ... Keywords: Discrete-continuous simulation, Hybrid systems, Modelica, Structural dynamics, VHDL-AMS

Peter Schwarz

2008-12-01T23:59:59.000Z

87

Recombinatoric exploration of novel folded structures: heteropolymerbased model  

E-Print Network [OSTI]

construction thus formally very similar Bryngelson and Wolynes' (11) seminal random energy model treatment # neutral # sequence space # thermodynamic stability # protein models I is widely recognized events

Chan, Hue Sun

88

Managerial Coaching Behavior and Employee Outcomes: A Structural Equation Modeling Analysis  

E-Print Network [OSTI]

‘s alpha estimates for reliability, correlation analysis, two-step modeling techniques for structural equation modeling, and Sobel tests were the analysis methods used in the study. The results of the analyses indicated that the hypothesized conceptual...

Kim, Sewon

2012-10-19T23:59:59.000Z

89

Modeling Elasto-Plastic Behavior of Polycrystalline Grain Structure of Steels at Mesoscopic Level  

E-Print Network [OSTI]

Modeling Elasto-Plastic Behavior of Polycrystalline Grain Structure of Steels at Mesoscopic Level. The constitutive model of crystal grains utilizes anisotropic elasticity and crystal plasticity. Commercially be considered macroscopically homogeneous. Elastic and rate independent plastic deformation modes are considered

Cizelj, Leon

90

Electricity price modeling and asset valuation: a multi-fuel structural approach  

Science Journals Connector (OSTI)

We introduce a new and highly tractable structural model for spot and derivative prices in electricity markets. Using a stochastic model ... we translate the demand for power and the prices of generating fuels in...

René Carmona; Michael Coulon; Daniel Schwarz

2013-03-01T23:59:59.000Z

91

Trees and beyond : exploiting and improving tree-structured graphical models  

E-Print Network [OSTI]

Probabilistic models commonly assume that variables are independent of each other conditioned on a subset of other variables. Graphical models provide a powerful framework for encoding such conditional independence structure ...

Choi, Myung Jin, Ph. D. Massachusetts Institute of Technology

2011-01-01T23:59:59.000Z

92

Structural model of F1–ATPase and the implications for rotary catalysis  

Science Journals Connector (OSTI)

...and R. M. Simmons Structural model of F1-ATPase and the implications for rotary...crystal structure of bovine mitochondrial F1-ATPase is described. Several features...approximately spherical alpha3beta3 sub-assembly. F1-ATPase|crystal structure|rotary catalysis...

2000-01-01T23:59:59.000Z

93

Finite element modeling of nonlinear vibration behavior of piezo-integrated structures  

Science Journals Connector (OSTI)

This paper aims at finite element modeling of nonlinear vibration behavior of piezo-integrated structures subjected to weak electric field. This nonlinear vibration behavior was observed in the form of dependence of resonance frequency on the vibration ... Keywords: Finite element modeling, Modal reduction, Newmark method, Nonlinear vibration, Piezo-integrated structures

Sandeep Kumar Parashar; Utz Von Wagner; Peter Hagedorn

2013-04-01T23:59:59.000Z

94

Design of fast output sampling feedback control for smart structure model  

Science Journals Connector (OSTI)

In this paper, the problem of modelling and output feedback control design for a smart structural system using piezoelectric material as a sensor/actuator is addressed. The model for a smart cantilever beam is developed by the finite element method. ... Keywords: output feedback, smart structure, vibration control

M. Umapathy; B. Bandyopadhyay

2007-01-01T23:59:59.000Z

95

AIP/123-QED Fuzzy structure theory modeling of sound-insulation layers in complex  

E-Print Network [OSTI]

AIP/123-QED Fuzzy structure theory modeling of sound-insulation layers in complex vibroacoustic France (Dated: September 11, 2008) Fuzzy structure theory for sound-insulation layers 1 hal-00684495 is proposed in developing an elas- toacoustic element useful to model sound-insulation layers for compu

Paris-Sud XI, Université de

96

INTERNATIONAL DEPENDENCY AND STRUCTURE MODELLING CONFERENCE, DSM'10 22 23 JULY 2010, CAMBRIDGE, UK  

E-Print Network [OSTI]

DSM'10 1 12 TH INTERNATIONAL DEPENDENCY AND STRUCTURE MODELLING CONFERENCE, DSM'10 22 ­ 23 JULY the feasibility and benefit of applying the Dependency Structure Matrix (DSM) as the modelling platform of the scores of all the value flows along that path. This is because under the #12;DSM'10 2 multipl

de Weck, Olivier L.

97

Modeling the structure of coal water slurry (CWS) sprays  

E-Print Network [OSTI]

This thesis describes a model of coal water slurry (CWS) sprays and presents new experimental data for CWS viscosities. The model is based on the aerodynamic theory of spray atomization which has been successfully used for Diesel sprays. However...

Prithiviraj, Manikandan

2012-06-07T23:59:59.000Z

98

Optimization Online - A Non-Parametric Structural Hybrid Modeling ...  

E-Print Network [OSTI]

Jun 30, 2014 ... Keywords: Electricity market; Electricity price modeling; Energy trading; Supply stack. Category 1: Applications -- OR and Management ...

Somayeh Moazeni

2014-06-30T23:59:59.000Z

99

Modeling H2 adsorption in carbon-based structures  

E-Print Network [OSTI]

. One promising area of research is hydrogen physi-sorbed into carbonbased structures such as nanotubes and graphene. Two novel systems consisting of a phthalocyanine salt with a large cation were studied. Ab initio, density functional theory...

Lamonte, Kevin Anthony

2009-05-15T23:59:59.000Z

100

Modeling of Catalyst Structure Degradation in PEM Fuel Cells  

Science Journals Connector (OSTI)

In this chapter, the requirements of a high-performance catalyst layer are examined in order to understand the ways in which the structure might degrade with operation. The formation of oxide species on the su...

Jeremy P. Meyers

2009-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

A Non-Parametric Structural Hybrid Modeling Approach for ...  

E-Print Network [OSTI]

May 5, 2014 ... Keywords: Electricity market; Electricity price modeling; Energy trading; Supply ..... unit is measured by its ability to convert fuel energy content,.

2014-05-05T23:59:59.000Z

102

Ising models for neural activity inferred via Selective Cluster Expansion: structural and coding  

E-Print Network [OSTI]

Ising models for neural activity inferred via Selective Cluster Expansion: structural and coding) of the entropy, a method for inferring an Ising model which describes the correlated activity of populations: statistical inference, neuronal networks #12;Ising models for neural activity inferred via Selective Cluster

Cocco, Simona

103

MOCHA: A Model Checking Tool that Exploits Design Structure L. de Alfaro R. Grosu  

E-Print Network [OSTI]

INTRODUCTION Model checking is emerging as a practical tool for automated debugging of embedded software (seeMOCHA: A Model Checking Tool that Exploits Design Structure R. Alur L. de Alfaro¡ R. Grosu ¢ T [7] for a survey, and [12, 11] for sample model checkers, and [8] for applications to software

de Alfaro, Luca

104

MOCHA: A Model Checking Tool that Exploits Design Structure L. de Alfaro  

E-Print Network [OSTI]

INTRODUCTION Model checking is emerging as a practical tool for automated debugging of embedded software (seeMOCHA: A Model Checking Tool that Exploits Design Structure R. Alur L. de Alfaro R. Grosu T [7] for a survey, and [12, 11] for sample model checkers, and [8] for applications to software

Grosu, Radu

105

Identification of a sound-insulation layer modelled by fuzzy structure theory -Experimental validation  

E-Print Network [OSTI]

Identification of a sound-insulation layer modelled by fuzzy structure theory - Experimental.fernandez@univ-paris-est.fr Abstract One proposes a novel approach to model sound-insulation layers based on the use of the fuzzy in computational models. The keypoint of the method is the construction of a mean elastoacoustic sound-insulation

Boyer, Edmond

106

Structure and anomalous solubility for hard spheres in an associating lattice gas model  

E-Print Network [OSTI]

Structure and anomalous solubility for hard spheres in an associating lattice gas model Marcia M spheres in an associating lattice gas model Marcia M. Szortyka,1,a) Mauricio Girardi,2,b) Vera B-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5

Barbosa, Marcia C. B.

107

Fixation at a locus with multiple alleles: Structure and solution of the Wright Fisher model  

E-Print Network [OSTI]

Fixation at a locus with multiple alleles: Structure and solution of the Wright Fisher model D genetics a b s t r a c t We consider the Wright Fisher model for a finite population of diploid sexual mathematical representation of the Wright Fisher model that applies for arbitrary numbers of alleles. Within

Waxman, David

108

A finite element model for transient thermal/structural analysis of large composite space structures  

E-Print Network [OSTI]

on approximate 6 analysis techniques based on finite elements has begun. Such techniques as reduced basis techniques and generalized transform methods offer hope of solving the finite element 8 equations more efficiently. An integrated thermal/structural... integrated analysis codes. However, Mahaney, Thornton, and Dechaumphai have identified require 5 ments for such thermal/structural programs. They concluded that such analysis methods should have the following five characteristics. First, a common finite...

Lutz, James Delmar

2012-06-07T23:59:59.000Z

109

Mathematical modeling of irreversible dynamic deformation, micro- and macrofracture of materials and structures  

National Nuclear Security Administration (NNSA)

7: Material Phase Transition, Modeling, and Others 7: Material Phase Transition, Modeling, and Others Mathematical Modeling of Irreversible Dynamic Deformation, Micro- and Macrofracture of Materials and Structures P. P. Zakharov and A. B. Kiselev All-Russia Research Institute of Automatics, Moscow 125412, Russia Thermomechanical processes, which proceed in deformable solids under intensive dynamic loading, consist of mechanical, thermal and structural ones, which correlate themselves. The structural processes involve the formation, motion and interaction of defects in metallic crystals, phase transitions, the breaking of bonds between molecules in polymers, the accumulation of microstructural damages (pores, cracks), etc. Irreversible deformations, zones of adiabatic shear and microfractures are caused by these

110

An improved lake model for climate simulations: Model structure, evaluation, and sensitivity analyses in CESM1  

E-Print Network [OSTI]

into the numerical weather prediction model COSMO, BorealCurrent numerical weather prediction (NWP) models, regionalof lakes in numerical weather prediction and climate models:

Subin, Z.M.

2013-01-01T23:59:59.000Z

111

Accuracy of functional surfaces on comparatively modeled protein structures  

E-Print Network [OSTI]

surfaces can be accurately reproduced. We use an alpha shape based pocket algorithm to compute all pockets. Keywords Protein binding surface Á Comparative model Á Signatures of binding pockets Á Amylase Abbreviation

Dai, Yang

112

The temporal cascade structure of reanalyses and Global Circulation models  

E-Print Network [OSTI]

and stochastic forecasting. 1. Introduction "Weather prediction by Numerical Process" (Richardson, 1922 equations. While these equations are deterministic, numerical weather prediction has been increasingly of the deterministic models. Interestingly, Richardson is not only the father of numerical weather forecasting, he

Lovejoy, Shaun

113

Computational tools for modeling and measuring chromosome structure  

E-Print Network [OSTI]

DNA conformation within cells has many important biological implications, but there are challenges both in modeling DNA due to the need for specialized techniques, and experimentally since tracing out in vivo conformations ...

Ross, Brian Christopher

2012-01-01T23:59:59.000Z

114

Fit Index Sensitivity in Multilevel Structural Equation Modeling  

E-Print Network [OSTI]

, 1998). Multilevel modeling (MLM) is an extension of multiple regression analysis that provides a framework for such questions to be addressed (Raudenbush & Bryk, 2002; Snijders & Bosker, 10 1999). MLM, also known as hierarchical linear modeling... these parameters to vary across groups addresses several of the aforementioned problems while providing new analytic insights. For example, MLM permits investigators to analyze cross-level interactions in order to determine whether within-group effects...

Boulton, Aaron Jacob

2011-07-29T23:59:59.000Z

115

Hubble expansion & Structure Formation in Time Varying Vacuum Models  

E-Print Network [OSTI]

We investigate the properties of the FLRW flat cosmological models in which the vacuum energy density evolves with time, $\\Lambda(t)$. Using different versions of the $\\Lambda(t)$ model, namely quantum field vacuum, power series vacuum and power law vacuum, we find that the main cosmological functions such as the scale factor of the universe, the Hubble expansion rate $H$ and the energy densities are defined analytically. Performing a joint likelihood analysis of the recent supernovae type Ia data, the Cosmic Microwave Background (CMB) shift parameter and the Baryonic Acoustic Oscillations (BAOs) traced by the Sloan Digital Sky Survey (SDSS) galaxies, we put tight constraints on the main cosmological parameters of the $\\Lambda(t)$ scenarios. Furthermore, we study the linear matter fluctuation field and the growth rate of clustering of the above vacuum models. Finally, we derived the theoretically predicted dark-matter halo mass function and the corresponding distribution of cluster-size halos for all the models studied. Their expected redshift distribution indicates that it will be difficult to distinguish the closely resembling models (constant vacuum, quantum field and power-law vacuum), using realistic future X-ray surveys of cluster abundances. However, cluster surveys based on the Sunayev-Zeldovich detection method give some hope to distinguish the closely resembling models at high redshifts.

S. Basilakos; M. Plionis; J. Sola

2009-09-22T23:59:59.000Z

116

Transmission Line Structure Spotting and Optimization within a Defined Transmission Line Routing Centerline Using Non-Linear Programming Models  

E-Print Network [OSTI]

and optimize structure heights for overhead transmission lines. The modeling tool will address common problems in determining overhead transmission line structure heights and locations. Some of the common problems consist of structure locations often having...

Cockrum, Joshua W.

2010-05-14T23:59:59.000Z

117

EFFECT OF THE MODEL CORRELATING STRUCTURAL DAMAGE TO REPAIRING COST ON LIFE CYCLE ECONOMIC LOSS ESTIMATION OF BUILDING STRUCTURES IN HIGH SEISMIC ZONE  

E-Print Network [OSTI]

correlating the damage to repairing cost on the life cycle loss using a simple model. Buildings are modeledEFFECT OF THE MODEL CORRELATING STRUCTURAL DAMAGE TO REPAIRING COST ON LIFE CYCLE ECONOMIC LOSS ESTIMATION OF BUILDING STRUCTURES IN HIGH SEISMIC ZONE Noriyuki TAKAHASHI, Hitoshi SHIOHARA, and Shunsuke

Shiohara, Hitoshi

118

Seismic structural response from continuous and discrete models  

E-Print Network [OSTI]

. Derivation . 2. Solving the Shear Beam Differential Equation 3. Adding Damping to the Shear Beam Model D. Comparisons of Results from the Models E. Simple Dynamic Tests of the Models 1. Acceleration Pulse 2. Velocity Pulse . 3. Instantaneous Pulse... + asst) + C(tt t tt 4 + a4vt + t23ttt) Solve Kttt+ttt = p, for Btt t3t / t+rtt ~ u0(ut+t3t ut) tt2vt tt3ttt Vt+at + Vt + ttsttt ? tt&ttt+ttt outPut ttt+ttt vt+ttt t3t+t3t t 4 ? t+Dt ut 4 ut+za vt 4 ? vt4-d, t ttt 4 ttt+za enddo...

Roberts, Matthew Wade

2012-06-07T23:59:59.000Z

119

Hubble expansion & Structure Formation in Time Varying Vacuum Models  

E-Print Network [OSTI]

We investigate the properties of the FLRW flat cosmological models in which the vacuum energy density evolves with time, $\\Lambda(t)$. Using different versions of the $\\Lambda(t)$ model, namely quantum field vacuum, power series vacuum and power law vacuum, we find that the main cosmological functions such as the scale factor of the universe, the Hubble expansion rate $H$ and the energy densities are defined analytically. Performing a joint likelihood analysis of the recent supernovae type Ia data, the Cosmic Microwave Background (CMB) shift parameter and the Baryonic Acoustic Oscillations (BAOs) traced by the Sloan Digital Sky Survey (SDSS) galaxies, we put tight constraints on the main cosmological parameters of the $\\Lambda(t)$ scenarios. Furthermore, we study the linear matter fluctuation field and the growth rate of clustering of the above vacuum models. Finally, we derived the theoretically predicted dark-matter halo mass function and the corresponding distribution of cluster-size halos for all the mode...

Basilakos, S; Solà, J

2009-01-01T23:59:59.000Z

120

Structural Models and Endogeneity in Corporate Finance: The Link Between Managerial Ownership and Corporate Performance  

E-Print Network [OSTI]

This paper presents a parsimonious, structural model that isolates primary economic determinants of the level and dispersion of managerial ownership, firm scale, and performance and the empirical associations among them. ...

Coles, Jeffrey L.; Lemmon, Michael L.; Meschke, Felix

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

Calculation of Heavy Ion Inactivation and Mutation Rates in Radial Dose Model of Track Structure  

Science Journals Connector (OSTI)

In the track structure model, the inactivation cross section is found by summing an inactivation probability over all impact parameters from the ion to the sensitive sites within the cell nucleus. The inactivation probability is evaluated by using the ...

Cucinotta Francis A.; Wilson John W.; Shavers Mark R.; Katz Robert

1997-07-01T23:59:59.000Z

122

METHODOLOGY ARTICLE Open Access Quality assessment of protein model-structures  

E-Print Network [OSTI]

similar to proteins functionally similar to the prediction target. Whereas DALI is used to measure structure similarity, protein functional similarity is quantified using standardized and hierarchical model quality assessment method, the other is its modification, which provides a relative measure

Nebel, Jean-Christophe

123

Green Water Flow Kinematics and Impact Pressure on a Three Dimensional Model Structure  

E-Print Network [OSTI]

Flow kinematics of green water due to plunging breaking waves interacting with a simplified, three-dimensional model structure was investigated in laboratory. Two breaking wave conditions were tested: one with waves impinging and breaking...

Ariyarathne, Hanchapola Appuhamilage Kusalika Suranjani

2011-10-21T23:59:59.000Z

124

FLUID FLOW MODELING OF RESIN TRANSFER MOLDING FOR COMPOSITE MATERIAL WIND TURBINE BLADE STRUCTURES  

E-Print Network [OSTI]

FLUID FLOW MODELING OF RESIN TRANSFER MOLDING FOR COMPOSITE MATERIAL WIND TURBINE BLADE STRUCTURES the guidance and direction provided by my advisors: Dr. Mandell, Dr. Cairns and Dr. Larsen. I would also like

125

Predictive Models of Biohydrogen and Biomethane Production Based on the Compositional and Structural Features of Lignocellulosic Materials  

Science Journals Connector (OSTI)

Predictive Models of Biohydrogen and Biomethane Production Based on the Compositional and Structural Features of Lignocellulosic Materials ...

Florian Monlau; Cecilia Sambusiti; Abdellatif Barakat; Xin Mei Guo; Eric Latrille; Eric Trably; Jean-Philippe Steyer; Hélène Carrere

2012-10-10T23:59:59.000Z

126

Automated Eukaryotic Gene Structure Annotation Using EVidenceModeler and the Program to Assemble Spliced Alignments  

SciTech Connect (OSTI)

EVidenceModeler (EVM) is presented as an automated eukaryotic gene structure annotation tool that reports eukaryotic gene structures as a weighted consensus of all available evidence. EVM, when combined with the Program to Assemble Spliced Alignments (PASA), yields a comprehensive, configurable annotation system that predicts protein-coding genes and alternatively spliced isoforms. Our experiments on both rice and human genome sequences demonstrate that EVM produces automated gene structure annotation approaching the quality of manual curation.

Haas, B J; Salzberg, S L; Zhu, W; Pertea, M; Allen, J E; Orvis, J; White, O; Buell, C R; Wortman, J R

2007-12-10T23:59:59.000Z

127

A constraint propagation approach to structural model based image segmentation and recognition  

Science Journals Connector (OSTI)

The interpretation of complex scenes in images requires knowledge regarding the objects in the scene and their spatial arrangement. We propose a method for simultaneously segmenting and recognizing objects in images, that is based on a structural representation ... Keywords: Constraint satisfaction, Fuzzy set, Image interpretation, Structural model

Olivier Nempont; Jamal Atif; Isabelle Bloch

2013-10-01T23:59:59.000Z

128

Ecological Modelling 147 (2002) 2339 Dispersal success on spatially structured landscapes: when  

E-Print Network [OSTI]

Ecological Modelling 147 (2002) 23­39 Dispersal success on spatially structured landscapes: when do a simulation study in which we explored (1) the conditions under which landscape structure affects dispersal success and (2) the dependency of dispersal success on the choice of dispersal algorithm. We simulated

With, Kimberly A.

129

Local identification of scalar hybrid models with tree structure  

Science Journals Connector (OSTI)

......using an SHM for the reactor. LOCAL IDENTIFICATION...established with the necessary reliability. Therefore, a black-box...complexity of the SHM for the reactor subprocesses as depicted...the SHM allows the analysis of the impact of monomer...extrapolability for practical reactor modelling. Indeed and......

Bernold Fiedler; Andreas Schuppert

2008-06-01T23:59:59.000Z

130

Free Energy Functionals for Efficient Phase Field Crystal Modeling of Structural Phase Transformations  

Science Journals Connector (OSTI)

The phase field crystal (PFC) method is a promising technique for modeling materials with atomic resolution on mesoscopic time scales. While numerically more efficient than classical density functional theory (CDFT), its single mode free energy limits the complexity of structural transformations that can be simulated. We introduce a new PFC model inspired by CDFT, which uses a systematic construction of two-particle correlation functions that allows for a broad class of structural transformations. Our approach considers planar spacings, lattice symmetries, planar atomic densities, and atomic vibrational amplitudes in the unit cell, and parameterizes temperature and anisotropic surface energies. The power of our approach is demonstrated by two examples of structural phase transformations.

Michael Greenwood; Nikolas Provatas; Jörg Rottler

2010-07-23T23:59:59.000Z

131

The Ising model in a transverse field on comb-like ramified linear structures  

E-Print Network [OSTI]

The Ising model in a transverse field on comb-like ramified linear structures R. Jullien, K. A une méthode de renormalisation et des résultats exacts, le modèle d'Ising dans un champ transverse Combining a real space renormalization group method and exact results, the Ising model with a transverse

Paris-Sud XI, Université de

132

SUPPLEMENTARY MATERIAL Supplementary Material to "High-Dimensional Structure Learning of Ising Models  

E-Print Network [OSTI]

SUPPLEMENTARY MATERIAL Supplementary Material to "High-Dimensional Structure Learning of Ising) (P, Q) := 1 2 P - Q 1 = 1 2 xX |P(x) - Q(x)|. 1.1. Analysis of Ising Models on Trees. We first derive simple expressions for Ising models Markov on trees. This will be later used upon reduction of general

Anandkumar, Animashree

133

Modeling the Global Structure of the Heliosphere during the Recent Solar Minimum  

E-Print Network [OSTI]

, Berkeley, California. Abstract. The recent solar minimum, marking the end of solar cycle 23, has beenModeling the Global Structure of the Heliosphere during the Recent Solar Minimum: Model Mikic and Janet G. Luhmann Predictive Science, San Diego, California. Harvard-Smithsonian Center

California at Berkeley, University of

134

Modeling and H? robust control of a smart structure with rate-dependent hysteresis nonlinearity  

Science Journals Connector (OSTI)

The performance of smart structures in trajectory tracking under sub-micron level is hindered by the rate-dependent hysteresis nonlinearity. In this paper, a Hammerstein-like model based on the support vector machines (SVM) is proposed to capture the ... Keywords: H? robust control, Hammerstein-like model, Rate-dependent hysteresis, piezoelectric actuator, support vector machines (SVM)

Ping Liu; Zhen-Yan Wang; Zhen Zhang; Jian-Qin Mao; Ke-Min Zhou

2014-02-01T23:59:59.000Z

135

The mathematical structure of multiphase thermal models of flow in porous media  

E-Print Network [OSTI]

The mathematical structure of multiphase thermal models of flow in porous media By Daniel E.A. van with the formulation and numerical solution of equations for modelling multicomponent, two-phase, thermal fluid flow typical flow behaviour that occurs during fluid injection into a reservoir. Keywords: porous media flow

136

STOCHASTIC COMPUTATIONAL DYNAMICAL MODEL OF UNCERTAIN STRUCTURE COUPLED WITH AN INSULATION LAYER  

E-Print Network [OSTI]

STOCHASTIC COMPUTATIONAL DYNAMICAL MODEL OF UNCERTAIN STRUCTURE COUPLED WITH AN INSULATION LAYER the effect of insulation layers in complex dynamical systems for low- and medium-frequency ranges such as car booming noise analysis, one introduces a sim- plified stochastic model of insulation layers based

Boyer, Edmond

137

CAE (computer aided engineering) driven durability model verification for the automotive structure development  

Science Journals Connector (OSTI)

Test/analysis correlation, in the refinement of finite element models to accord with test results of the modeled structure is an emerging field in the today's automotive industries. The accuracy of finite element analysis predictions in the linear and ... Keywords: CAE (computer aided engineering), Durability, EMBS (elastic multi body simulation), VPG (virtual proving ground), Vehicle body design

Dong-Chan Lee; Chang-Soo Han

2009-04-01T23:59:59.000Z

138

Remote robotic underwater grinding system and modeling for rectification of hydroelectric structures  

Science Journals Connector (OSTI)

A submersible grinding robot has been designed to automate the dam gate metallic structure repair process. In order to measure and control the amount of material removed during the process, an empirical approach for modeling the material removal rate ... Keywords: Air injector, Grinding modeling, Material removal rate (MRR), Robotic grinding, Underwater grinding process, Water drag effect

Dominique Thuot; Zhaoheng Liu; Henri Champliaud; Julien Beaudry; Pierre-Luc Richard; Michel Blain

2013-02-01T23:59:59.000Z

139

Sensitive Growth Grammars Specifying Models of Forest Structure, Competition and Plant-Herbivore Interaction  

E-Print Network [OSTI]

and data interfaces to other software. 1 Introduction Simulation models which are able to reproduce. Comparison of the architecture of a classical simulation model (left), where each modification requires of irregular stand structures, (b) simulation of competitive effects on crown radius development and resulting

Kurth, Winfried

140

Longitudinal Data Analysis Using Multilevel Linear Modeling (MLM): Fitting an Optimal Variance-Covariance Structure  

E-Print Network [OSTI]

LONGITUDINAL DATA ANALYSIS USING MULTILEVEL LINEAR MODELING (MLM): FITTING AN OPTIMAL VARIANCE-COVARIANCE STRUCTURE A Dissertation by YUAN-HSUAN LEE Submitted to the Office of Graduate Studies of Texas A&M University... in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY August 2010 Major Subject: Educational Psychology Longitudinal Data Analysis Using Multilevel Linear Modeling (MLM...

Lee, Yuan-Hsuan

2011-10-21T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

On a tensor-based finite element model for the analysis of shell structures  

E-Print Network [OSTI]

In the present study, we propose a computational model for the linear and nonlinear analysis of shell structures. We consider a tensor-based finite element formulation which describes the mathematical shell model in a natural and simple way by using...

Arciniega Aleman, Roman Augusto

2006-04-12T23:59:59.000Z

142

A Structural Model of Markets in Madagascari J.S. Butler and Christine Moserii  

E-Print Network [OSTI]

capacity for identifying the factors contributing to market integration or to high transfer costs1 A Structural Model of Markets in Madagascari J.S. Butler and Christine Moserii June 2009 i Model of Markets in Madagascar Abstract Market efficiency and price transmission across space

Krivobokova, Tatyana

143

3D-mesh models: view-based indexing and structural analysis  

E-Print Network [OSTI]

3D-mesh models: view-based indexing and structural analysis Mohamed Daoudi, Tarik Filali Ansary.daoudi@lifl.fr, tarik.filali@lifl.fr, julien.tierny@lifl.fr, jean-philippe.vandeborre@lifl.fr Abstract. 3D-mesh models applications, medical or military simulations, video games and so on. Indexing and analyzing these 3D data

Paris-Sud XI, Université de

144

Towards a Formal Semantics for a Structurally Dynamic Noncausal Modelling Language  

E-Print Network [OSTI]

, many of these languages are referred to as object-oriented mod- elling languages. Modelica [23] is oneTowards a Formal Semantics for a Structurally Dynamic Noncausal Modelling Language John Capper, UK nhn@cs.nott.ac.uk Abstract Modelling and simulation languages are evolving rapidly to sup- port

Nilsson, Henrik

145

Anisotropic damage modelling of biaxial behaviour and rupture of concrete structures  

E-Print Network [OSTI]

Continuum Damage Mechanics at the Representative Element Volume scale is a relevant tool to deal with largeAnisotropic damage modelling of biaxial behaviour and rupture of concrete structures Ragueneau F with damage induced anisotropy modelling for concrete-like materials. A thermodynamics based constitutive

Boyer, Edmond

146

CALTECH ASCI TECHNICAL REPORT 129 On Velocity Structure Functions and the Spherical Vortex Model for  

E-Print Network [OSTI]

the stretched-spiral vortex has been suc- cessfully applied to the calculation of the energy spectrum,6 and some for larger scales is perhaps questionable. Most quantitative vortex-based models have utilized tube and sheetCALTECH ASCI TECHNICAL REPORT 129 On Velocity Structure Functions and the Spherical Vortex Model

Barr, Al

147

An Efficient Genetic Algorithm for Predicting Protein Tertiary Structures in the 2D HP Model  

E-Print Network [OSTI]

, predicting its tertiary structure is known as the protein folding problem. This problem has been widely genetic algo- rithm for the protein folding problem under the HP model in the two-dimensional square Genetic Algorithm, Protein Folding Problem, 2D HP Model 1. INTRODUCTION Amino acids are the building

Istrail, Sorin

148

A Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote  

Open Energy Info (EERE)

Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Sensing Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Journal Article: A Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Sensing Details Activities (0) Areas (0) Regions (0) Abstract: Hot Spring Law of Taiwan was passed in legislative assembly on 3 June 2003. Hot springs would become one of the most important natural resources for recreation purposes. Both public and private sectors will invest large amount of capital in this area in the near future. The value of remote sensing technology is to give a critical tool for observing the landscape to find out mega-scaled geological structures, which may not be able to be found by conventional approaches. The occurrences of the hot

149

Clostridium difficile Extracytoplasmic Function ? Factor ?V Regulates Lysozyme Resistance and Is Necessary for Pathogenesis in the Hamster Model of Infection  

Science Journals Connector (OSTI)

...extracytoplasmic function (ECF) sigma factors. Adv. Microb. Physiol. 46 :47-110. doi: 10.1016/S0065-2911(02)46002-X . 30. Ho TD , and CD Ellermeier. 2012. Extracytoplasmic function sigma factor activation. Curr. Opin. Microbiol...

Theresa D. Ho; Kyle B. Williams; Yan Chen; Richard F. Helm; David L. Popham; Craig D. Ellermeier

2014-03-24T23:59:59.000Z

150

Folding Proteins with Both Alpha and Beta Structures in a Reduced Model  

E-Print Network [OSTI]

A reduced model, which can fold both helix and sheet structures, is proposed to study the problem of protein folding. The goal of this model is to find an unbiased effective potential that has included the effects of water and at the same time can predict the three dimensional structure of a protein with a given sequence in reasonable time. For this purpose, rather than focusing on the real folding dynamics or full structural details at the atomic scale, we adopt the Monte Carlo method and the coarse-grained representation of the protein in which both side-chains and the backbones are replaced by suitable geometrical objects in consistent with the known structure. On top of the coarse-grained representation, our effective potential can be developed. Two new interactions, the dipole-dipole interactions and the local hydrophobic interactions, are introduced and are shown to be as crucial as the hydrogen bonds for forming the secondary structures. In particular, for the first time, we demonstrate that the resulting reduced model can successfully fold proteins with both helix and sheet structures without using any biased potential. Further analyses show that this model can also fold other proteins in reasonable accuracy and thus provides a promising starting point for the problem of protein folding.

Nan-yow Chen

2006-07-17T23:59:59.000Z

151

A reduced-coordinate approach to modeling RNA 3-D structures  

SciTech Connect (OSTI)

With the realization of RNA molecules capable of performing very specific functions (e.g., catalytic RNAs and RNAs that bind ligand with affinity and specificity of an anti-body) and contrary to the traditional view that structure of RNA molecules being functionally passive, it has become clear that studying the 3-dimensional (3-D) folding of RNA molecules is a very important task. In the absence of sufficient number of experimentally determined RNA structures available up-to-date, folding of RNA structures computationally provides an alternative approach in studying the 3-D structure of RNA molecules. We have developed a computational approach for folding RNA 3-D structures. The method is conceptually simple and general. It consists of two major components. The first being the arrangement of all helices in space. Once the helices are positioned and oriented in space, structures of the connecting loops are modeled and inserted between the helices. Any number of structural constraints derived either experimentally or theoretically can be used to guide the folding processes. A conformational sampling approach is developed with structural equilibration using the Metropolis Monte Carlo simulation. The lengths of various loop sizes (ranging from 1 base to 7 bases) are calculated based on a set of RNA structures deposited in PDB as well as a set of loop structures constructed using our method. The validity of using the averaged loop lengths of the connecting loops as distance constraints for arranging the helices in space is studied.

Tung, Chang-Shung

1997-09-01T23:59:59.000Z

152

Modeling the Spread of Epidemic Cholera: an Age-Structured Model  

E-Print Network [OSTI]

in crowded conditions and poor sanitation. A common type of model for the spread of an infectious disease

Gobbert, Matthias K.

153

A Structural Model Guide For Geothermal Exploration In Ancestral Mount Bao,  

Open Energy Info (EERE)

Model Guide For Geothermal Exploration In Ancestral Mount Bao, Model Guide For Geothermal Exploration In Ancestral Mount Bao, Leyte, Philippines Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Journal Article: A Structural Model Guide For Geothermal Exploration In Ancestral Mount Bao, Leyte, Philippines Details Activities (0) Areas (0) Regions (0) Abstract: The Tongonan Geothermal Field is the largest producing geothermal field in the Philippines having an installed capacity of 700 MW. It hosts several major power plants that tap geothermal power from the northern flank of the eroded Ancestral Mount Bao (AMB) volcano in Leyte Island, Philippines. A structural model guide is presented to delineate exploration targets in other flanks of the 1200 km2 area of the AMB volcano. If applied, the model constrains the coverage of geothermal exploration to

154

3D MHD Modeling of the Gaseous Structure of the Galaxy: Synthetic Observations  

E-Print Network [OSTI]

We generated synthetic observations from the four-arm model presented in Gomez & Cox (2004) for the Galactic ISM in the presence of a spiral gravitational perturbation. We found that velocity crowding and diffusion have a strong effect in the l-v diagram. The v-b diagram presents structures at the expected spiral arm velocities, that can be explained by the off-the-plane structure of the arms presented in previous papers of this series. Such structures are observed in the Leiden/Dwingeloo HI survey. The rotation curve, as measured from the inside of the modeled galaxy, shows similarities with the observed one for the Milky Way Galaxy, although it has large deviations from the smooth circular rotation corresponding to the background potential. The magnetic field inferred from a synthetic synchrotron map shows a largely circular structure, but with interesting deviations in the midplane due to distortion of the field from circularity in the interarm regions.

Gómez, G C; Gomez, Gilberto C.; Cox, Donald P.

2004-01-01T23:59:59.000Z

155

3D MHD Modeling of the Gaseous Structure of the Galaxy: Synthetic Observations  

E-Print Network [OSTI]

We generated synthetic observations from the four-arm model presented in Gomez & Cox (2004) for the Galactic ISM in the presence of a spiral gravitational perturbation. We found that velocity crowding and diffusion have a strong effect in the l-v diagram. The v-b diagram presents structures at the expected spiral arm velocities, that can be explained by the off-the-plane structure of the arms presented in previous papers of this series. Such structures are observed in the Leiden/Dwingeloo HI survey. The rotation curve, as measured from the inside of the modeled galaxy, shows similarities with the observed one for the Milky Way Galaxy, although it has large deviations from the smooth circular rotation corresponding to the background potential. The magnetic field inferred from a synthetic synchrotron map shows a largely circular structure, but with interesting deviations in the midplane due to distortion of the field from circularity in the interarm regions.

Gilberto C. Gomez; Donald P. Cox

2004-07-19T23:59:59.000Z

156

Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of  

Open Energy Info (EERE)

Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Geothermal Systems in the Northwestern Great Basin Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper: Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Geothermal Systems in the Northwestern Great Basin Abstract In the western Great Basin, the Walker Lane is a system of right-lateral strike-slip faults accommodating ~15-25% of relative motion between the Pacific and North American plates. Relatively high rates of recent (<10 Ma) west-northwest extension absorb northwestward declining dextral motion in the Walker Lane, diffusing that motion into the Basin-Range. Abundant geothermal fields cluster in several northeasttrending belts in the

157

Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The  

Open Energy Info (EERE)

Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Producing Geothermal System In Dixie Valley, Nevada Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Conference Paper: Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Producing Geothermal System In Dixie Valley, Nevada Details Activities (4) Areas (1) Regions (0) Abstract: Dixie Valley is the hottest (> 285°C at 3 km) and one of the largest geothermal systems (63 MW power plant operated for over 20 years) in the Basin and Range province. The heat source is deep circulation in a high heat flow, highly fractured upper crust without a significant magmatic thermal input. Many hot springs in the Basin and Range Province share the characteristics of the Dixie Valley system. Major geothermal resource

158

Dynamics of the Structural Glass Transition and the p-Spin—Interaction Spin-Glass Model  

Science Journals Connector (OSTI)

The mathematical structure of the dynamical theory for the soft-spin version of the p-spin-interaction (p>2) spin-glass model is related to that for the dynamical theories of the structural glass transition. The phase transitions predicted by both theories are discussed. The spin-glass transition predicted by the dynamical theory is related to a broken-replica-symmetry equilibrium calculation.

T. R. Kirkpatrick and D. Thirumalai

1987-05-18T23:59:59.000Z

159

The detection and modelling of surface thermal structures and ground water discharges  

E-Print Network [OSTI]

THE DETECTION AND MODELLING DF SURFACE THERMAL STRUCTURES AND GROUND WATER DISCHARGES A Thesis by DOUGLAS YINCENT ROBERTS Subm1tted to the Graduate Col leqe of Texas A&M University in part1al fulf1llment of the requirements or the degree... of MASTER OF SCIENCE August IgSS Major Subject: Geophys1cs THE DETECTION AND MODELLING OF SURFACE THERMAL STRUCTURES AND GROUND HATER DISCHARGES A Thesis DOUGLAS VINCENT ROBERTS Approved as to style and content by: Earl . oskins (Chair of Committee...

Roberts, Douglas Vincent

2012-06-07T23:59:59.000Z

160

Computational and experimental investigation of scour past laboratory models of stream restoration rock structures  

Science Journals Connector (OSTI)

Local scour of the streambed around three models of stream restoration rock structures, including a rock vane, a cross vane, and a J-hook vane, is investigated via laboratory experiments and numerical simulations. In the experimental study, a physical model of each rock structure is constructed via an assembly of rocks and installed in a straight mobile sand bed flume. Continuous bed topography measurements provide insight into the time evolution of the scour patterns downstream of the structures and yield comprehensive data sets for validating the numerical simulations in terms of scour patterns, maximum scour depths, and bar migration dynamics. The numerical simulations are carried out using the coupled, hydro-morphodynamic Curvilinear Immersed Boundary (CURVIB) method of Khosronejad et al. (2011) [17]. The mobile channel bed and the individual rocks comprising a stream restoration structure are discretized with an unstructured triangular mesh and treated as sharp-interface immersed boundaries embedded in the background curvilinear mesh used to discretize the flow domain. For each case, simulations are carried out solving both the unsteady Reynolds-averaged Navier–Stokes (URANS) equations closed with the k–? model and filtered Large-Eddy Simulation (LES) equations closed with the dynamic Smagorinski subgrid scale model. Both the URANS and LES models yield flow and scour patterns in reasonable agreement with the measurements with the LES results being consistently in better overall agreement with the measurements. To our knowledge, the present study is the first attempt to simulate local scour patterns around realistic model of stream restoration rock structures by taking into account and directly modeling their arbitrarily complex geometrical features.

Ali Khosronejad; Craig Hill; Seokkoo Kang; Fotis Sotiropoulos

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

A molecular model for Illinois No. 6 Argonne Premium coal: Moving toward capturing the continuum structure  

Science Journals Connector (OSTI)

A large-scale molecular model for Illinois No. 6 Argonne Premium coal is generated based on an automated construction approach in an effort to move toward capturing the continuum structure. The model contains 50,789 atoms within 728 molecules and is the largest, most complex coal representation constructed to-date. The aromatic ring size distribution was based on multiple high-resolution transmission electron microscope (HRTEM) lattice fringe micrographs and was duplicated with automated construction protocols (Fringe3D) in molecular modeling space. Additional structural data was obtained from the abundant literature assessing this Argonne Premium coal. Organic oxygen, nitrogen, and sulfur functionalities were incorporated primarily into the polyaromatic structures according to X-ray photoelectron spectroscopy and X-ray adsorption near-edge structure spectroscopy data. Aliphatic carbons were in the form of cross-links (bridges and loops) and pendant alkyl groups based on the combination of laser desorption ionization mass spectrometry (LDIMS), ruthenium ion catalyzed oxidation, elemental analysis, and NMR data in good agreement with the literature. Bound and bulk water was also included. Construction of the coal molecules was performed by use of Perl scripts developed in Materials Studio to eliminate personal bias and improve the accuracy and the scale of the structure generated. The large-scale model captured a broad and continuous molecular weight distribution in accordance with LDIMS data here ranging from 100 to 2850 Da, enabling inclusion of structural diversity to capture a portion of the continuum structure. A theoretical pyridine extraction yield, determined by a group contribution approach, was in agreement with the experimental value. The extract and residue representations were generated from the large-scale Illinois coal model and showed consistency with NMR, elemental analysis and LDIMS trends. The distribution of heteroatomic classes and double bond equivalents was also well-defined experimentally based on electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. These data further constrain the molecular weight of extractable material and was consistent with limited pyridine extractability and model heteroatom classes. Future work will be well served by staying within the limits established by the approach and increasing the structural diversity (sampling frequency through increased scale) to better capture the complex nature of coal structural diversity, i.e., the continuum.

Fidel Castro-Marcano; Vladislav V. Lobodin; Ryan P. Rodgers; Amy M. McKenna; Alan G. Marshall; Jonathan P. Mathews

2012-01-01T23:59:59.000Z

162

Extreme wind climate modeling of some locations in India for the specification of the design wind speed of structures  

Science Journals Connector (OSTI)

The wind load on a structure is proportional to the square of the wind speed. Extreme wind climate modeling should be required for specifying the design wind speed of structures. Extreme wind speeds for a storm t...

Arnab Sarkar; Navneet Kumar; Debojyoti Mitra

2014-06-01T23:59:59.000Z

163

A Model of Varying Fine Structure Constant and Varying Speed of Light  

E-Print Network [OSTI]

The recent evidence for a cosmological evolution of the fine structure constant \\alpha=e^2/\\hbar c found from an analysis of absorption systems in the spectra of distant quasars, is modelled by a cosmological scenario in which it is assumed that only the speed of light varies. The model fits the spectral line data and can also lead to a solution of the initial value problems in cosmology.

J. W. Moffat

2001-09-20T23:59:59.000Z

164

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals that leave noticeable voids in the crystal structure. At the ALS, researchers from the U.K., Ireland, and the U.S. have now obtained definitive experimental evidence that this lone-pair model must be revised. High-resolution x-ray photoemission spectroscopy (XPS) and soft x-ray emission spectroscopy (XES) have clarified the subtle electronic origins of the prototypical distortions in these crystal structures. The results have important implications for the tantalizing possibility of spintronic or superconducting devices combining ferroelectric and ferromagnetic properties.

165

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals that leave noticeable voids in the crystal structure. At the ALS, researchers from the U.K., Ireland, and the U.S. have now obtained definitive experimental evidence that this lone-pair model must be revised. High-resolution x-ray photoemission spectroscopy (XPS) and soft x-ray emission spectroscopy (XES) have clarified the subtle electronic origins of the prototypical distortions in these crystal structures. The results have important implications for the tantalizing possibility of spintronic or superconducting devices combining ferroelectric and ferromagnetic properties.

166

Towards QoS Prediction Based on Composition Structure Analysis and Probabilistic Environment Models  

E-Print Network [OSTI]

Towards QoS Prediction Based on Composition Structure Analysis and Probabilistic Environment Models Dragan Ivanovi´c Universidad Polit´ecnica de Madrid idragan@clip.dia.fi.upm.es Peerachai Kaowichakorn Universidad Polit´ecnica de Madrid p.kaowichakorn@gmail.com Manuel Carro Universidad Polit´ecnica de Madrid

Politécnica de Madrid, Universidad

167

Hierarchical Modelling of Automotive Sensor Front-Ends For Structural Diagnosis of Aging Faults  

E-Print Network [OSTI]

shown [2] that 41% of failures in automotive electronics could not be identified by functional diagnosisHierarchical Modelling of Automotive Sensor Front-Ends For Structural Diagnosis of Aging Faults h.g.kerkhoff@utwente.nl Abstract: The semiconductor industry for automotive applications is growing

Wieringa, Roel

168

Sub-AQUA: real-value quality assessment of protein structure models  

E-Print Network [OSTI]

Sub-AQUA: real-value quality assessment of protein structure models Yifeng David Yang1, Preston of Natural Science, Chung-Ang University, Seoul, Korea, 3 Department of Computer Science, College of Science developed quality assessment methods, which predict real value of the global and local quality of protein

Kihara, Daisuke

169

Modeling water column structure and suspended particulate matter on the Middle Atlantic continental shelf  

E-Print Network [OSTI]

that contributed to the evolution of observed thermal structure and resuspension of particulate matter during resuspension processes. It is concluded that wave-current bottom shear stress was clearly the most important process for sediment resuspension during and following both hurricanes. Discrepancies between modeled

Chang, Grace C.

170

Merchant Commodity Storage and Term Structure Model Error Nicola Secomandi,1  

E-Print Network [OSTI]

; specifically, we consider natural gas storage lease contracts (Maragos 2002). Natural gas is an important flows of commodity and energy conversion assets as real options based on stochastic models the futures term structure affect the valuation and hedging of natural gas storage. We find that even small

Sadeh, Norman M.

171

A spatial statistics approach to characterizing and modeling the structure of cognitive wireless networks  

Science Journals Connector (OSTI)

The performance of cognitive wireless networks (CWNs) depends heavily on their spatial structure. However, highly simplified models are still routinely used for performance evaluation of CWNs and other wireless networks, with node locations often being ... Keywords: Cognitive wireless networks, Point processes, Spatial statistics, Stochastic geometry

Janne Riihijärvi; Petri Mähönen

2012-07-01T23:59:59.000Z

172

Structural modal interaction of a four degree of freedom bladed disk and casing model  

E-Print Network [OSTI]

Structural modal interaction of a four degree of freedom bladed disk and casing model Mathias specific interaction phenomenon that may occur in turbo- machines due to radial rub between a bladed disk requirements leading to reduced clearance between blade-tips and casing together with the rotation of the blade

Boyer, Edmond

173

A Hamilton-Jacobi approach for a model of population structured by space and trait  

E-Print Network [OSTI]

A Hamilton-Jacobi approach for a model of population structured by space and trait Emeric Bouin WKB ansatz, we prove that the propagation of the population in space can be de- scribed by a Hamilton, Hamilton-Jacobi equation, Spectral problem, Front propagation AMS Class. No: 45K05, 35B25, 49L25, 92D15, 35

Paris-Sud XI, Université de

174

Structural parameters The analytical model proposed here can explain high fracture  

E-Print Network [OSTI]

Structural parameters · The analytical model proposed here can explain high fracture toughness, P.J., et al., Engineering Fracture Mechanics, 2007. 74: p. 19281941. 4. Ritchie, R.O., et al Tensile strength Fracture toughness Composite properties E max S )~( ~ aJ III. Fracture toughness

Barthelat, Francois

175

Modeling of the interaction of an acoustic wave with immersed targets for telemetry of complex structures  

E-Print Network [OSTI]

are being followed: the core monitoring where transducers are directly immersed in sodium near the reactor reactors, which consists in locating various reactor structures using an ultrasonic inspection performed and applicability domains. A theoretical comparison of these models is carried out to define the more adequate one

Paris-Sud XI, Université de

176

Optimization of the structural Gabor functions in a homogeneous velocity model  

E-Print Network [OSTI]

Optimization of the structural Gabor functions in a homogeneous velocity model for a zero-o#11;set functions should be optimized, and the Gabor functions should form a frame. We present a simple attempt functions and the space{wavenumber lattice of their central points are optimized analytically

Cerveny, Vlastislav

177

A STRUCTURAL MODEL FOR ELECTRICITY PRICES RENE CARMONA, MICHAEL COULON, AND DANIEL SCHWARZ  

E-Print Network [OSTI]

A STRUCTURAL MODEL FOR ELECTRICITY PRICES RENE CARMONA, MICHAEL COULON, AND DANIEL SCHWARZ Abstract pricing in electricity markets, thus extending the growing branch of liter- ature which describes power prices for electricity. We capture both the heavy-tailed nature of spot prices and the complex dependence

Carmona, Rene

178

Predicting Protein Folds with Structural Repeats Using a Chain Graph Model  

E-Print Network [OSTI]

Predicting Protein Folds with Structural Repeats Using a Chain Graph Model Yan Liu yanliu, Carnegie Mellon University, Pittsburgh, PA 15213 USA Abstract Protein fold recognition is a key step to to accurately identify protein folds aris- ing from typical spatial arrangements of well-defined secondary

Xing, Eric P.

179

Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print The rate and intensity of calcium (Ca2+) currents that oscillate through the plasma membrane around a cell affect such diverse phenomena as fertilization, the cardiac rhythm, and even the formation of memories. How does the cell sense these digital oscillations and transduce them into a cellular signal, such as changes in phosphorylation (addition of a phosphate group to a protein) or gene transcription? A group from the University of California, Berkeley, the Yale University School of Medicine, and Berkeley Lab has combined protein crystallography and small-angle x-ray scattering to give a first glimpse into what this conversion may look like as well as the structural consequences of the conversion.

180

Performance of corrosion inhibiting admixtures for structural concrete -- assessment methods and predictive modeling  

SciTech Connect (OSTI)

During the past fifteen years corrosion inhibiting admixtures (CIAs) have become increasingly popular for protection of reinforced components of highway bridges and other structures from damage induced by chlorides. However, there remains considerable debate about the benefits of CIAs in concrete. A variety of testing methods to assess the performance of CIA have been reported in the literature, ranging from tests in simulated pore solutions to long-term exposures of concrete slabs. The paper reviews the published techniques and recommends the methods which would make up a comprehensive CIA effectiveness testing program. The results of this set of tests would provide the data which can be used to rank the presently commercially available CIA and future candidate formulations utilizing a proposed predictive model. The model is based on relatively short-term laboratory testing and considers several phases of a service life of a structure (corrosion initiation, corrosion propagation without damage, and damage to the structure).

Yunovich, M.; Thompson, N.G. [CC Technologies Labs., Inc., Dublin, OH (United States)

1998-12-31T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Experiments to Populate and Validate a Processing Model for Polyurethane Foam: Additional Data for Structural Foams.  

SciTech Connect (OSTI)

We are developing computational models to help understand manufacturing processes, final properties and aging of structural foam, polyurethane PMDI. Th e resulting model predictions of density and cure gradients from the manufacturing process will be used as input to foam heat transfer and mechanical models. BKC 44306 PMDI-10 and BKC 44307 PMDI-18 are the most prevalent foams used in structural parts. Experiments needed to parameterize models of the reaction kinetics and the equations of motion during the foam blowing stages were described for BKC 44306 PMDI-10 in the first of this report series (Mondy et al. 2014). BKC 44307 PMDI-18 is a new foam that will be used to make relatively dense structural supports via over packing. It uses a different catalyst than those in the BKC 44306 family of foams; hence, we expect that the reaction kineti cs models must be modified. Here we detail the experiments needed to characteriz e the reaction kinetics of BKC 44307 PMDI-18 and suggest parameters for the model based on these experiments. In additi on, the second part of this report describes data taken to provide input to the preliminary nonlinear visco elastic structural response model developed for BKC 44306 PMDI-10 foam. We show that the standard cu re schedule used by KCP does not fully cure the material, and, upon temperature elevation above 150 o C, oxidation or decomposition reactions occur that alter the composition of the foam. These findings suggest that achieving a fully cured foam part with this formulation may be not be possible through therma l curing. As such, visco elastic characterization procedures developed for curing thermosets can provide only approximate material properties, since the state of the material continuously evolves during tests.

Rao, Rekha R.; Celina, Mathias C.; Giron, Nicholas Henry; Long, Kevin Nicholas; Russick, Edward M.

2015-01-01T23:59:59.000Z

182

The polarized structure function of the nucleons with a non-extensive statistical quark model  

SciTech Connect (OSTI)

We studied an application of nonextensive thermodynamics to describe the polarized structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution, often used in the statistical models, were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and the chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon and by {Delta}u and {Delta}d of the polarized functions.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Instituto de Ciencia, Engenharia e Tecnologia - ICET, Universidade Federal dos Vales do Jequitinhonha e Mucuri - UFVJM, Campus do Mucuri, Rua do Cruzeiro 01, Jardim Sao Paulo, 39803-371, Teofilo Otoni, Minas Gerais (Brazil)

2013-05-06T23:59:59.000Z

183

Driving kinetically constrained models into non-equilibrium steady states: structural and slow transport properties  

E-Print Network [OSTI]

Complex fluids in shear flow and biased dynamics in crowded environments exhibit counterintuitive features which are difficult to address both at theoretical level and by molecular dynamic simulations. To understand some of these features we study a schematic model of highly viscous liquid, the 2D Kob-Andersen kinetically constrained model, driven into non-equilibrium steady states by a uniform non-Hamiltonian force. We present a detailed numerical analysis of the microscopic behavior of the model, including transversal and longitudinal spatial correlations and dynamic heterogeneities. In particular, we show that at high particle density the transition from positive to negative resistance regimes in the current vs field relation can be explained via the emergence of nontrivial structures that intermittently trap the particles and slow down the dynamics. We relate such spatial structures to the current vs field relation in the different transport regimes.

Francesco Turci; Estelle Pitard; Mauro Sellitto

2012-06-27T23:59:59.000Z

184

Implementation of New Process Models for Tailored Polymer Composite Structures into Processing Software Packages  

SciTech Connect (OSTI)

This report describes the work conducted under the Cooperative Research and Development Agreement (CRADA) (Nr. 260) between the Pacific Northwest National Laboratory (PNNL) and Autodesk, Inc. to develop and implement process models for injection-molded long-fiber thermoplastics (LFTs) in processing software packages. The structure of this report is organized as follows. After the Introduction Section (Section 1), Section 2 summarizes the current fiber orientation models developed for injection-molded short-fiber thermoplastics (SFTs). Section 3 provides an assessment of these models to determine their capabilities and limitations, and the developments needed for injection-molded LFTs. Section 4 then focuses on the development of a new fiber orientation model for LFTs. This model is termed the anisotropic rotary diffusion - reduced strain closure (ARD-RSC) model as it explores the concept of anisotropic rotary diffusion to capture the fiber-fiber interaction in long-fiber suspensions and uses the reduced strain closure method of Wang et al. to slow down the orientation kinetics in concentrated suspensions. In contrast to fiber orientation modeling, before this project, no standard model was developed to predict the fiber length distribution in molded fiber composites. Section 5 is therefore devoted to the development of a fiber length attrition model in the mold. Sections 6 and 7 address the implementations of the models in AMI, and the conclusions drawn from this work is presented in Section 8.

Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Phelps, Jay; Tucker III, Charles L.; Kunc, Vlastimil; Bapanapalli, Satish K.; Smith, Mark T.

2010-02-23T23:59:59.000Z

185

Forces due to waves in the presence of currents on a submerged model structure  

E-Print Network [OSTI]

OF SCIENCE December 1985 Major Subject: Ocean Engineering FORCES DUE TO WAVES IN THE PRESENCE OF CURRENTS ON A SUBMERGED MODEL STRUCTURE A Thesis by DAVID RAY SHIELDS Approved as to style and content by: Jo n . Her &c (Chairman of Committee) K...-induced and nonwave-induced (ZO). Nonwave-induced loads are the result of nonwave-induced currents and fluid-entrained spray acting upon the structure which may extend above the water's free surface. The wave-induced hydrodynamic loads are the result of ocean...

Shields, David Ray

2012-06-07T23:59:59.000Z

186

Electronic structure, stacking energy, partial charge, and hydrogen bonding in four periodic B-DNA models  

Science Journals Connector (OSTI)

We present a theoretical study of the electronic structure of four periodic B-DNA models labeled (AT)10, (GC)10, (AT)5(GC)5, and (AT?GC)5 where A denotes adenine, T denotes thymine, G denotes guanine, and C denotes cytosine. Each model has ten base pairs with Na counterions to neutralize the negative phosphate group in the backbone. The (AT)5(GC)5 and (AT?GC)5 models contain two and five AT-GC bilayers, respectively. When compared against the average of the two pure models, we estimate the AT-GC bilayer interaction energy to be 19.015 Kcal/mol, which is comparable to the hydrogen bonding energy between base pairs obtained from the literature. Our investigation shows that the stacking of base pairs plays a vital role in the electronic structure, relative stability, bonding, and distribution of partial charges in the DNA models. All four models show a highest occupied molecular orbital (HOMO) to lowest unoccupied molecular orbital (LUMO) gap ranging from 2.14 to 3.12 eV with HOMO states residing on the PO4 + Na functional group and LUMO states originating from the bases. Our calculation implies that the electrical conductance of a DNA molecule should increase with increased base-pair mixing. Interatomic bonding effects in these models are investigated in detail by analyzing the distributions of the calculated bond order values for every pair of atoms in the four models including hydrogen bonding. The counterions significantly affect the gap width, the conductivity, and the distribution of partial charge on the DNA backbone. We also evaluate quantitatively the surface partial charge density on each functional group of the DNA models.

Lokendra Poudel; Paul Rulis; Lei Liang; W. Y. Ching

2014-08-07T23:59:59.000Z

187

Structural model for the Al72Ni20Co8 decagonal quasicrystals National Renewable Energy Laboratory, Golden, Colorado 80401  

E-Print Network [OSTI]

Structural model for the Al72Ni20Co8 decagonal quasicrystals Yanfa Yan National Renewable Energy, Oak Ridge, Tennessee 37831 Received 15 February 2000 We propose a structure model for the Al72Ni20Co8 decagonal quasicrystals based on its 2 -inflated Al13Co4 approximant phase: Applying a 105 screw operation

Pennycook, Steve

188

3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave domains  

E-Print Network [OSTI]

3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave July 2005; received in revised form 4 October 2005; accepted 8 October 2005 Abstract A detailed 3D using detailed 3D models of tree structure including the location and orientation of individual needles

Jones, Peter JS

189

Phase diagram and structural properties of a simple model for one-patch Achille Giacometti,1,a  

E-Print Network [OSTI]

Phase diagram and structural properties of a simple model for one-patch particles Achille and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain RHNC integral, each of which carries a single identical, arbitrarily oriented and attractive circular patch on its

Beichner, Robert J.

190

Phase diagram and structural properties of a simple model for one-patch particles  

E-Print Network [OSTI]

We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are hard spheres, each of which carries a single identical, arbitrarily-oriented, attractive circular patch on its surface; two spheres attract via a simple square-well potential only if the two patches on the spheres face each other within a specific angular range dictated by the size of the patch. For a ratio of attractive to repulsive surface of 0.8, we construct the RHNC fluid-fluid separation curve and compare with that obtained by Gibbs ensemble and grand canonical Monte Carlo simulations. We find that RHNC provides a quick and highly reliable estimate for the position of the fluid-fluid critical line. In addition, it gives a detailed (though approximate) description of all structural properties and their dependence on patch size.

Achille Giacometti; Fred Lado; Julio Largo; Giorgio Pastore; Francesco Sciortino

2009-10-09T23:59:59.000Z

191

Hamiltonian structure of reduced fluid models for plasmas obtained from a kinetic description  

E-Print Network [OSTI]

We consider the Hamiltonian structure of reduced fluid models obtained from a kinetic description of collisionless plasmas by Vlasov-Maxwell equations. We investigate the possibility of finding Poisson subalgebras associated with fluid models starting from the Vlasov-Maxwell Poisson algebra. In this way, we show that the only possible Poisson subalgebra involves the moments of zeroth and first order of the Vlasov distribution, meaning the fluid density and the fluid velocity. We find that the bracket derived in [Phys. Rev. Lett. 93, 175002 (2004)] which involves moments of order 2 is not a Poisson bracket since it does not satisfy the Jacobi identity.

Loïc De Guillebon; Cristel Chandre

2012-04-19T23:59:59.000Z

192

Anti-optimisation for modelling the vibration of locally nonlinear structures: An exploratory study  

E-Print Network [OSTI]

of Sound and Vibration 332 (2013) 7099–71227100in the automotive industry [6]; and any structure with a joint will introduce some degree of nonlinearity at the interface. Such systems present a modelling opportunity: efficient linear methods can still... is denoted M.the pla‘best’ or ‘correct’ for these applications: the intention is to demonstrate the broadness of the approach, and show that usible metrics and constraints can be envisaged for many kinds of locally nonlinear problem. What is important...

Butlin, T.

2013-07-31T23:59:59.000Z

193

Models for Achromatic Light-Curve Breaks in GRB Afterglows: Jets, Structured Outflows, and Energy Injection  

E-Print Network [OSTI]

The steepening (break) of the power-law fall-off observed in the optical emission of some GRB afterglows at epoch ~1 day is often attributed to a collimated outflow (jet), undergoing lateral spreading. Wider opening GRB ejecta with a non-uniform energy angular distribution (structured outflows) or the cessation of energy injection in the afterglow can also yield light-curve breaks. We determine the optical and X-ray light-curve decay indices and spectral energy distribution slopes for 10 GRB afterglows with optical light-curve breaks (980519, 990123, 990510, 991216, 000301, 000926, 010222, 011211, 020813, 030226), and use these properties to test the above models for light-curve steepening. It is found that the optical breaks of six of these afterglows can be accommodated by either energy injection or by structured outflows. In the refreshed shock model, a wind-like stratification of the circumburst medium (as expected for massive stars as GRB progenitors) is slightly favoured. A spreading jet interacting with a homogeneous circumburst medium is required by the afterglows 990510, 000301, 011211, and 030226. The optical pre- and post-break decays of these four afterglows are incompatible with a wind-like medium. The current sample of 10 afterglows with breaks suggests that the distribution of the break magnitude (defined as the increase of the afterglow decay exponent) is bimodal, with a gap at 1. If true, this bimodality favours the structured outflow model, while the gap location indicates a homogeneous circumburst environment.

A. Panaitescu

2005-06-23T23:59:59.000Z

194

Modeling of structure H hydrate equilibria for methane, intermediate hydrocarbon molecules and water systems  

SciTech Connect (OSTI)

Clathrate hydrates are inclusion compounds in which guest molecules are engaged by water molecules under favorable conditions of pressure and temperature. The well known structures 1 and 2 have been discovered since last century, while a new structure called H has been recently described in the literature. Since that time, structure H hydrate equilibrium data involving methane and different intermediate liquid hydrocarbon molecules have been published. The equilibrium calculations involving hydrates are based on the fact that the chemical potential of water in the aqueous liquid phase is equal to the one in the hydrate phase. The chemical potential of water in the liquid aqueous phase can be easily described by classical thermodynamic relations, while the chemical potential of water in the hydrates phase is described by the expressions proposed by Van der Walls and Platteeuw derived from an adsorption model based on statistical thermodynamics. The authors present in this paper a set of Kihara potential parameters which enable the calculation of Langmuir constants which characterize the adsorption of some naphthenic and iso-paraffinic intermediate hydrocarbons in the larger cage of structure H hydrates. This work thus allows the computation of structural H hydrate equilibrium conditions for systems made of methane, intermediate hydrocarbon molecules and water.

Thomas, M.; Behar, E. [Inst. Francais du Petrole, Rueil-Malmaison (France)

1996-12-31T23:59:59.000Z

195

Validating the unified theory of acceptance and use of technology in Kuwaiti ministries: a structural equation modelling approach  

Science Journals Connector (OSTI)

The purpose of this article is to describe a test of the validity of the unified theory of acceptance and use of technology (UTAUT) model by applying it to Kuwaiti ministries. Structural equation modelling methods were used to test the relationships ... Keywords: ISU acceptance, Kuwait, UTAUT, developing countries, information systems usage, structural equation modelling, technology acceptance, technology use, unified theory of acceptance and use of technology

Helaiel Almutairi

2009-03-01T23:59:59.000Z

196

A nonlocal model for fluid-structure interaction with applications in hydraulic fracturing  

E-Print Network [OSTI]

Modeling important engineering problems related to flow-induced damage (in the context of hydraulic fracturing among others) depends critically on characterizing the interaction of porous media and interstitial fluid flow. This work presents a new formulation for incorporating the effects of pore pressure in a nonlocal representation of solid mechanics. The result is a framework for modeling fluid-structure interaction problems with the discontinuity capturing advantages of an integral based formulation. A number of numerical examples are used to show that the proposed formulation can be applied to measure the effect of leak-off during hydraulic fracturing as well as modeling consolidation of fluid saturated rock and surface subsidence caused by fluid extraction from a geologic reservoir. The formulation incorporates the effect of pore pressure in the constitutive description of the porous material in a way that is appropriate for nonlinear materials, easily implemented in existing codes, straightforward in i...

Turner, Daniel Z

2012-01-01T23:59:59.000Z

197

Structure  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Structure Structure functions 1 NOTE: THE FIGURES IN THIS SECTION ARE INTENDED TO SHOW THE REPRESENTATIVE DATA. THEY ARE NOT MEANT TO BE COMPLETE COMPILATIONS OF ALL THE WORLD'S RELIABLE DATA. Q 2 (GeV 2 ) F 2 (x,Q 2 ) * 2 i x H1 ZEUS BCDMS E665 NMC SLAC 10 -3 10 -2 10 -1 1 10 10 2 10 3 10 4 10 5 10 6 10 7 10 8 10 9 10 -1 1 10 10 2 10 3 10 4 10 5 10 6 Figure 16.6: The proton structure function F p 2 measured in electromagnetic scattering of positrons on protons (collider experiments ZEUS and H1), in the kinematic domain of the HERA data, for x > 0.00006 (cf. Fig. 16.9 for data at smaller x and Q 2 ), and for electrons (SLAC) and muons (BCDMS, E665, NMC) on a fixed target. Statistical and systematic errors added in quadrature are shown. The data are plotted as a function of Q 2 in bins of fixed x. Some points have been slightly offset in Q 2 for clarity. The ZEUS binning in x is used in this plot; all other data are rebinned to the x values of

198

Thermodynamics and Structural Properties of the High Density Gaussian Core Model  

E-Print Network [OSTI]

We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the freezing and melting temperatures obey the asymptotic relation, $\\log T_f$, $\\log T_m \\propto -\\rho^{2/3}$, where $\\rho$ is the number density, which is consistent with Stillinger's conjecture. Thermodynamic quantities such as the energy and pressure and the structural functions such as the static structure factor are also investigated in the fluid phase for a wide range of temperature above the phase boundary. We compare the numerical results with the prediction of the liquid theory with the random phase approximation (RPA). At high temperatures, the results are in almost perfect agreement with RPA for a wide range of density, as it has been already shown in the previous studies. In the low temperature regime close to the phase boundary line, although RPA fails to describe the structure factors and the radial distribution functions at the length scales of the interparticle distance, it successfully predicts their behaviors at shorter length scales. RPA also predicts thermodynamic quantities such as the energy, pressure, and the temperature at which the thermal expansion coefficient becomes negative, almost perfectly. Striking ability of RPA to predict thermodynamic quantities even at high densities and low temperatures is understood in terms of the decoupling of the length scales which dictate thermodynamic quantities from the interparticle distance which dominates the peak structures of the static structure factor due to the softness of the Gaussian core potential.

Atsushi Ikeda; Kunimasa Miyazaki

2011-04-18T23:59:59.000Z

199

The cluster-core model for halo-structure of light nuclei at the drip lines  

E-Print Network [OSTI]

Nuclei at both the neutron- and proton-drip lines are studied. In the cluster-core model, the halo-structure of all the observed and proposed cases of neutron- or proton-halos is investigated in terms of simple potential energy surfaces calculated as the sum of binding energies, Coulomb repulsion, nuclear proximity attraction and the centrifugal potential for all the possible cluster+core configurations of a nucleus. The clusters of neutrons and protons are taken to be unbound, with additional Coulomb energy added for proton-clusters. The model predictions agree with the available experimental studies but show some differences with the nucleon separation energy hypothesis, particularly for proton-halo nuclei. Of particular interest are the halo-structures of $^{11}N$ and $^{20}Mg$. The calculated potential energy surfaces are also useful to identify the new magic numbers and molecular structures in exotic nuclei. In particular, N=6 is a possible new magic number for very neutron-deficient nuclei, but Z=N=2 and Z=8 seem to remain magic even for such nuclei, near the drip line.

Raj K. Gupta; Sushil Kumar; M. Balasubramaniam; G. Munzenberg; Werner Scheid

2011-11-08T23:59:59.000Z

200

Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling  

SciTech Connect (OSTI)

Increased refining of heavy petroleum feedstocks has led to greater interest in the chemical and physical properties of resid. Although resid has been implicated in many processing difficulties, very little detailed structural information is available in the literature. This is mainly due to the molecular complexity and high initial boiling point of the material, which makes traditional analytical methods difficult or impossible to use. To cope with these problems a stochastic molecular level construction model coupled to a global optimization program has been developed. Structural attributes were defined in terms of aromatic and naphthenic rings and alkyl sidechains. The attributes were quantified using probability density functions (pdfs). By stochastically sampling the attributes many times a large number of molecules representative of a resid were constructed. Using initial starting points estimated from the literature, optimal structural attributes were found in an iterative manner by comparing the predicted resid properties with actual experimental measurements. The program yields detailed structural information in the form of probability density functions for the initial resid.

Trauth, D.M.; Stark, S.M.; Petti, T.F.; Neurock, M.; Yasar, M.; Klein, M.T.

1993-12-31T23:59:59.000Z

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201

An asymptotic homogenization model for smart 3D grid-reinforced composite structures  

Science Journals Connector (OSTI)

A comprehensive micromechanical model for smart 3D composite structures reinforced with a periodic grid of generally orthotropic cylindrical reinforcements that also exhibit piezoelectric behavior is developed. The original boundary value problem characterizing the piezothermoelastic behavior of these structures is decoupled into a set of three simpler unit cell problems dealing, separately, with the elastic, piezoelectric and thermal expansion characteristics of the smart composite. The technique used is that of asymptotic homogenization and the solution of the unit cell problems permits determination of the effective elastic, piezoelectric and thermal expansion coefficients. The general orthotropy of the constituent materials is very important from the practical viewpoint and makes the analysis much more complicated. Several examples of practical interest are used to illustrate the work including smart 3D composites with cubic and conical embedded grids as well as diagonally reinforced smart structures. It is also shown in this work that in the limiting particular case of 2D grid-reinforced structures with isotropic reinforcements our results converge to earlier published results.

E M Hassan; A L Kalamkarov; A V Georgiades; K S Challagulla

2009-01-01T23:59:59.000Z

202

RESRAD-BUILD: A model to estimate dose from contaminated structures. Innovative technology summary report  

SciTech Connect (OSTI)

The RESRAD-BUILD model is an exposure pathway and analysis code used to determine whether radiologically contaminated buildings and structures can be free released for a specific land use (e.g., residential or industrial). The model provides estimates of dose to a hypothetical receptor from the structure. The RESRAD-BUILD technology can calculate dose from variety of site-specific hypothetical scenarios, decay-time intervals, and radionuclides. When using the RESRAD-BUILD code, specific project assumptions must be developed with the appropriate regulatory agencies, especially the cleanup criteria and the exposure scenario to be used. The C Reactor demonstration of RESRAD-BUILD modeled hypothetical future use of below grade portions of the reactor building complex. A residential exposure scenario with a cleanup criteria of 15 mrem/yr above background (Environmental Protection Agency [EPA] draft guidance) was used to coordinate decommissioning with adjacent ongoing remedial actions conducted in accordance with an existing Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA) Record of Decision. This paper gives a description of the technology and discusses its performance, applications, cost, regulatory and policy issues, and lessons learned.

NONE

1998-12-01T23:59:59.000Z

203

A Home Ignition Assessment Model Applied to Structures in the Wildland-Urban Interface  

SciTech Connect (OSTI)

The issue of exterior fire threat to buildings, from either wildfires in the wildland-urban interface or neighboring structure fires, is critically important. To address this, theWildfire Ignition Resistant Home Design (WIRHD) program was initiated. The WIRHD program developed a tool, theWildFIREWizard, that will allow homeowners to estimate the external fire threat to their homes based on specific features and characteristics of the homes and yards. The software then makes recommendations to reduce the threat. The inputs include the structural and material features of the home and information about any ignition sources or flammable objects in its immediate vicinity, known as the home ignition zone. The tool comprises an ignition assessment model that performs explicit calculations of the radiant and convective heating of the building envelope from the potential ignition sources. This article describes a series of material ignition and flammability tests that were performed to calibrate and/or validate the ignition assessment model. The tests involved exposing test walls with different external siding types to radiant heating and/or direct flame contact.The responses of the test walls were used to determine the conditions leading to melting, ignition, or any other mode of failure of the walls. Temperature data were used to verify the model predictions of temperature rises and ignition times of the test walls.

Biswas, Kaushik [ORNL; Werth, David [Savannah River National Laboratory, Aiken, SC; Gupta, Narendra [Savannah River National Laboratory, Aiken, SC

2013-01-01T23:59:59.000Z

204

An evaluation of WIPP structural modeling capabilities based on comparisons with South Drift data  

SciTech Connect (OSTI)

The creep response of rock salt around a long uniform excavation of rectangular cross-section has been computed with the structural finite element code SANCHO, and the results are compared with field data. The excavation, known as the South Drift, is part of the Waste Isolation Pilot Plant (WIPP) facility. The geomechanical model used in the calculations is quite complex and includes constitutive models based on standard laboratory creep tests. Because closure and closure rate measurements are at least three times larger than computed values, a thorough investigation of the many parameters in the geomechanical model is presented. This investigation indicates that variations to parameters not related to the constitutive model for halite cannot produce the type of changes in the closure histories needed to produce good agreement with data. Thus, the reason for the discrepancy is attributed to the parameters in the constitutive model for halite. However, none of the halite parameters investigated could produce the measured behavior. Several areas for future study have been identified.

Morgan, H.S.; Stone, C.M.; Krieg, R.D.

1986-11-01T23:59:59.000Z

205

Protein secondary structure prediction by combining hidden Markov models and sliding window scores  

Science Journals Connector (OSTI)

Instead of conformation states of single residues, refined conformation states of quintuplets are proposed to reflect conformation correlation. Simple hidden Markov models combined with sliding window scores are used to predict the secondary structure of a protein from its amino acid sequence. Since the length of protein conformation segments varies within a narrow range, we can ignore the duration effect of the length distribution. The window scores for residues are a window version of the Chou-Fasman propensities estimated under an approximation of conditional independency. Different window widths are examined, and the optimal width is found to be 17. A high accuracy of about 70% is achieved.

Wei-Mou Zheng

2005-01-01T23:59:59.000Z

206

Numerical Simulation of the Meso-? Scale Structure and Evolution of the 1977 Johnstown Flood. Part I: Model Description and Verification  

Science Journals Connector (OSTI)

The Pennsylvania State University/NCAR mesoscale model, originally developed by Anthes and Warner, is modified to simulate the meso-? scale structure and evolution of convectively driven weather systems. The modifications include: (i) two-way ...

Da-Lin Zhang; J. Michael Fritsch

1986-09-01T23:59:59.000Z

207

Mean Structure and diurnal cycle of Southeast Atlantic boundary layer clouds: Insights from satellite observations and multiscale modeling framework simulations  

Science Journals Connector (OSTI)

The mean structure and diurnal cycle of Southeast (SE) Atlantic boundary layer clouds are described with satellite observations and multi-scale modeling framework (MMF) simulations during austral spring (September-November). Hourly resolution ...

David Painemal; Kuan-Man Xu; Anning Cheng; Patrick Minnis; Rabindra Palikonda

208

Phase structure of an Abelian two-Higgs model and high temperature superconductors  

E-Print Network [OSTI]

We study the phase structure of a three dimensional Abelian Higgs model with singly- and doubly-charged scalar fields coupled to a compact Abelian gauge field. The model is pretending to describe systems of strongly correlated electrons such as high-Tc superconductivity in overdoped regime and exotic phases supporting excitations with fractionalized quantum numbers. We identify the Fermi liquid, the spin gap, the superconductor and the strange metallic phases in which densities and properties of holon and spinon vortices and monopoles are explored. The phase diagram in the 3D coupling space is predicted. We show that at sufficiently strong gauge coupling the spinon-pair and holon condensation transitions merge together and become, unexpectedly, first order.

M. N. Chernodub; E. -M. Ilgenfritz; A. Schiller

2005-12-06T23:59:59.000Z

209

Groundwater recharge estimates using a soil-water-balance model for the Powder River and Williston structural basins  

E-Print Network [OSTI]

Groundwater recharge estimates using a soil-water-balance model for the Powder River and Williston for the lower Tertiary and Upper Cretaceous aquifer system in the Powder River and Williston structural basins in the Williston structural basin will require trillions of gallons of water from this aquifer system over the next

Torgersen, Christian

210

Electronic Structure Description of the Cis-MoOS Unit in Models for Molybdenum Hydroxylases  

SciTech Connect (OSTI)

The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp{sub 2}[Tp{sup iPr}Mo{sup V}OS(OPh)] and Tp{sup iPr}Mo{sup VI}OS(OPh) (Tp{sup iPr} = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo {double_bond} S {pi}* LUMO redox orbital that is formally Mo(d{sub xy}) with {approx}35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-S{sub sulfido} bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

Doonan, C.J.; Rubie, N.D.; Peariso, K.; Harris, H.H.; Knottenbelt, S.Z.; George, G.N.; Young, C.G.; Kirk, M.L.; /New Mexico U. /Melbourne U. /SLAC, SSRL

2009-04-29T23:59:59.000Z

211

Integrated LCA–LEED sustainability assessment model for structure and envelope systems of school buildings  

Science Journals Connector (OSTI)

Abstract In Canada and USA, nearly 80 million students and teachers spend at least eight hours daily in schools that could be unhealthy and restrict their ability to learn. Despite this fact there is lack of adopting sustainability principles in school buildings. Even though life cycle assessment (LCA) and LEED® could serve as sustainability measurement tools, studies show that the integration of sustainability principles to LCA has not become standard practice yet. This paper presents an integrated LCA–LEED model that incorporates LCA into LEED and assigns corresponding LEED scores to achieve a high level of sustainability assessment, for the structure and envelope systems of Canadian school buildings. In this model, the selection of the most sustainable structure and envelope type for school buildings is done through the evaluation of three categories of the LEED rating system: energy and atmosphere, materials and resources, and LCA (incorporated under the innovation and design process category of LEED). Various options are tested by considering structures such as concrete, steel, masonry and wood, and envelope types such as precast panels, steel stud, wood stud and cavity wall. Energy simulation is performed by eQUEST® (version 3.64) program and LCA is performed by ATHENA® impact estimator. The results show that concrete and masonry buildings have high energy consumption and global warming potential during certain life cycle stages such as manufacturing, construction and demolition. However they have lower annual energy consumption and environmental impact during the operating stage, as well as for the overall life span. Concrete building with minimum insulation has obtained the highest total LEED score (19) followed by masonry (17), while steel and steel-masonry buildings have the least score (14).

Othman Subhi Alshamrani; Khaled Galal; Sabah Alkass

2014-01-01T23:59:59.000Z

212

Structure of the particle-hole amplitudes in no-core shell model wave functions  

SciTech Connect (OSTI)

We study the structure of the no-core shell model wave functions for {sup 6}Li and {sup 12}C by investigating the ground state and first excited state electron scattering charge form factors. In both nuclei, large particle-hole (ph) amplitudes in the wave functions appear with the opposite sign to that needed to reproduce the shape of the (e,e{sup '}) form factors, the charge radii, and the B(E2) values for the lowest two states. The difference in sign appears to arise mainly from the monopole DELTA(Planck constant/2pi)omega=2 matrix elements of the kinetic and potential energy (T+V) that transform under the harmonic oscillator SU(3) symmetries as (lambda,mu)=(2,0). These are difficult to determine self-consistently, but they have a strong effect on the structure of the low-lying states and on the giant monopole and quadrupole resonances. The Lee-Suzuki transformation, used to account for the restricted nature of the space in terms of an effective interaction, introduces large higher-order DELTA(Planck constant/2pi)omega=n,n>2, ph amplitudes in the wave functions. The latter ph excitations aggravate the disagreement between the experimental and predicted (e,e{sup '}) form factors with increasing model spaces, especially at high momentum transfers. For sufficiently large model spaces, the situation begins to resolve itself for {sup 6}Li, but the convergence is slow. A prescription to constrain the ph excitations would likely accelerate convergence of the calculations.

Hayes, A. C. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Kwiatkowski, A. A. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824 (United States)

2010-05-15T23:59:59.000Z

213

Optimization of the GB/SA Solvation Model for Predicting the Structure of Surface Loops in Proteins  

E-Print Network [OSTI]

Optimization of the GB/SA Solvation Model for Predicting the Structure of Surface Loops in ProteinsVed: October 10, 2005; In Final Form: December 1, 2005 Implicit solvation models are commonly optimized the force field is sometimes not considered. In previous studies, we have developed an optimization

Meirovitch, Hagai

214

Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium stabilised amorphous calcium  

E-Print Network [OSTI]

Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium online xxxx Keywords: Amorphous calcium carbonate; EPSR modelling; Neutron diffraction; X-ray diffraction Amorphous calcium carbonate (ACC) plays a key role in biomineralisation processes in sea organisms. Neutron

Benning, Liane G.

215

Advanced 3D electromagnetic and particle-in-cell modeling on structured/unstructured hybrid grids  

SciTech Connect (OSTI)

New techniques have been recently developed that allow unstructured, free meshes to be embedded into standard 3-dimensional, rectilinear, finite-difference time-domain grids. The resulting hybrid-grid modeling capability allows the higher resolution and fidelity of modeling afforded by free meshes to be combined with the simplicity and efficiency of rectilinear techniques. Integration of these new methods into the full-featured, general-purpose QUICKSILVER electromagnetic, Particle-In-Cell (PIC) code provides new modeling capability for a wide variety of electromagnetic and plasma physics problems. To completely exploit the integration of this technology into QUICKSILVER for applications requiring the self-consistent treatment of charged particles, this project has extended existing PIC methods for operation on these hybrid unstructured/rectilinear meshes. Several technical issues had to be addressed in order to accomplish this goal, including the location of particles on the unstructured mesh, adequate conservation of charge, and the proper handling of particles in the transition region between structured and unstructured portions of the hybrid grid.

Seidel, D.B.; Pasik, M.F.; Kiefer, M.L.; Riley, D.J.; Turner, C.D.

1998-01-01T23:59:59.000Z

216

Remote robotic underwater grinding system and modeling for rectification of hydroelectric structures  

Science Journals Connector (OSTI)

A submersible grinding robot has been designed to automate the dam gate metallic structure repair process. In order to measure and control the amount of material removed during the process, an empirical approach for modeling the material removal rate (MRR) of the underwater grinding application is proposed and presented in this paper. The objective is to determine the MRR in terms of the process parameters such as cutting speed and grinding power over a range of variable wheel diameters. Experiments show that water causes drag and a significant loss of power occurs during grinding. An air injector encasing the grinding wheel has been prototyped, and it is shown that power loss can be reduced by up to 80%. A model, based on motor characterization and empirical relations among system and process parameters, is developed for predicting MRR which will be used for the robotic grinding control system. A validation is carried out through experiments, and confirms the good accuracy of the model for predicting the depth of cut for underwater grinding. A comparative study for dry and underwater grinding is also conducted through experiments and shows that the MRR is higher for underwater grinding than in dry conditions at low cutting speeds.

Dominique Thuot; Zhaoheng Liu; Henri Champliaud; Julien Beaudry; Pierre-Luc Richard; Michel Blain

2013-01-01T23:59:59.000Z

217

Verification of a VOF-based two-phase flow model for wave breaking and wave–structure interactions  

Science Journals Connector (OSTI)

The objective of the present study is to develop a volume of fluid (VOF)-based two-phase flow model and to discuss the applicability of the model to the simulation of wave–structure interactions. First, an overview of the development of VOF-type models for applications in the field of coastal engineering is presented. The numerical VOF-based two-phase flow model has been developed and applied to the simulations of wave interactions with a submerged breakwater as well as of wave breaking on a slope. Numerical results are then compared with laboratory experimental data in order to verify the applicability of the numerical model to the simulations of complex interactions of waves and permeable coastal structures, including the effects of wave breaking. It is concluded that the two-phase flow model with the aid of the advanced VOF technique can provide with acceptably accurate numerical results on the route to practical purposes.

Phung Dang Hieu; Katsutoshi Tanimoto

2006-01-01T23:59:59.000Z

218

Modeling the determinants of Medicaid home care payments for children with special health care needs: A structural equation model approach  

Science Journals Connector (OSTI)

AbstractBackground The management of children with special needs can be very challenging and expensive. Objective To examine direct and indirect cost drivers of home care expenditures for this vulnerable and expensive population. Methods We retrospectively assessed secondary data on children, ages 4–20, receiving Medicaid Personal Care Services (PCS) (n = 2760). A structural equation model assessed direct and indirect effects of several child characteristics, clinical conditions and functional measures on Medicaid home care payments. Results The mean age of children was 12.1 years and approximately 60% were female. Almost half of all subjects reported mild, moderate or severe ID diagnosis. The mean ADL score was 5.27 and about 60% of subjects received some type of rehabilitation services. Caseworkers authorized an average of 25.5 h of PCS support per week. The SEM revealed three groups of costs drivers: indirect, direct and direct + indirect. Cognitive problems, health impairments, and age affect expenditures, but they operate completely through other variables. Other elements accumulate effects (externalizing behaviors, PCS hours, and rehabilitation) and send them on a single path to the dependent variable. A few elements exhibit a relatively complex position in the model by having both significant direct and indirect effects on home care expenditures – medical conditions, intellectual disability, region, and ADL function. Conclusions The most important drivers of home care expenditures are variables that have both meaningful direct and indirect effects. The only one of these factors that may be within the sphere of policy change is the difference among costs in different regions.

Omolola E. Adepoju; Yichen Zhang; Charles D. Phillips

2014-01-01T23:59:59.000Z

219

Singularity free analysis of a self-similar model of proton structure function at small \\textit{x}  

E-Print Network [OSTI]

In this paper we make re-analysis of a self-similarity based model of the proton structure function at small \\textit{x} pursued in recent years. The additional assumption is that it should be singularity free in the entire kinematic range $0<\\textit{x}<1$. Our analysis indicates that the model is valid in a more restrictive range of $Q^{2}$. We also discuss the possibility of incorporation of Froissart saturation condition in the model.

Baishali Saikia; D. K. Choudhury

2014-09-01T23:59:59.000Z

220

The variation of the fine structure constant: testing the dipole model with thermonuclear supernovae  

E-Print Network [OSTI]

The large-number hypothesis conjectures that fundamental constants may vary. Accordingly, the spacetime variation of fundamental constants has been an active subject of research for decades. Recently, using data obtained with large telescopes a phenomenological model in which the fine structure constant might vary spatially has been proposed. We test whether this hypothetical spatial variation of {\\alpha}, which follows a dipole law, is compatible with the data of distant thermonuclear supernovae. Unlike previous works, in our calculations we consider not only the variation of the luminosity distance when a varying {\\alpha} is adopted, but we also take into account the variation of the peak luminosity of Type Ia supernovae resulting from a variation of {\\alpha}. This is done using an empirical relation for the peak bolometric magnitude of thermonuclear supernovae that correctly reproduces the results of detailed numerical simulations. We find that there is no significant difference between the several phenome...

Kraiselburd, Lucila; Negrelli, Carolina; Berro, Enrique García

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal  

SciTech Connect (OSTI)

This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

Hart, W.E.; Istrail, S. [Sandia National Labs., Albuquerque, NM (United States). Algorithms and Discrete Mathematics Dept.

1996-08-09T23:59:59.000Z

222

The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters Probed by Raman Spectroscopy, NMR and Structural Modeling  

E-Print Network [OSTI]

of water in different states, e.g., bulk water, water clusters, aqueous solutions of ions or organicThe Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters are used to elucidate the properties of water in Metavariscite, AlPO4-H3, AlPO4-8 and VPI-5. The framework

Goddard III, William A.

223

Multi-Assay-Based Structure?Activity Relationship Models: Improving Structure?Activity Relationship Models by Incorporating Activity Information from Related Targets  

Science Journals Connector (OSTI)

In this paper, we present a new class of methods for building SAR models, referred to as multi-assay based, that utilize activity information from different targets. ... Depending on the method, this SAR model will be built using either its own activity information (baseline SAR model) or additional information obtained from its set of related targets (multi-assay-based SAR model). ... To illustrate the cross-family nature of the multi-assay-based methods, Figure 3 shows the set of related proteins for the different proteins within and across the different families (Ktkligs and m = 3). ...

Xia Ning; Huzefa Rangwala; George Karypis

2009-10-20T23:59:59.000Z

224

Focusing future exploration in mature basin: Maturation and migration models integrated with timing of major structural events in Illinois  

SciTech Connect (OSTI)

Exploration risk can be decreased by highgrading areas where the timing of structural events and maturation of source rocks are nearly coincident. Knowledge of migration fairways further aids in focusing exploration. Four burial-history models have been constructed to accommodate (1) a rift-fill sequence in excess of 24,000 ft, (2) a hypothetical Fairfield basin model, (3) a model using a deep well, and (4) a model on the Sparta shelf. These complex models, which use several variables including compaction, thermal conductivity, kerogen kinetics, and multiple unconformities, indicate a possibility for multiple hydrocarbon-generative events and show that linear geothermal gradients are ineffective in explaining maturation in Illinois. Periods of oil generation determined from the models can be compared with known timing of structural events to predict trapping potential. Depths to the oil phase-out zone are also significant. Exploration risk can be reduced in Illinois by using a simple migration model that uses the basal Upper Devonian Sylamore Sandstone in central and western Illinois as a migration conduit and the New Albany Group as a source. Other migration conduits in the basin are discussed including faults associated with structures and fracture systems such as the Wabash Valley fault system.

Oltz, D.F.; Crockett, J.E. (Illinois State Geological Survey, Champaign (USA))

1989-08-01T23:59:59.000Z

225

Structure and behavior of triad interactions for a Boussinesq system arising in a model for the formation sand ridges  

SciTech Connect (OSTI)

The Boussinesq system describes weakly nonlinear dispersive long waves plasmas and incompressible irrotational fluids. This study presents some results regarding the structure and behavior of a system of equations that yield the spatial structure of triad interactions in the Boussinesq system. Such a system forms part of a model for the formation and evolution of sand ridges on the continental shelf. The aims of this study are to provide some insight into the behavior of the triad system and into the sand ridge model in particular.

Restrepo, J.M. [Argonne National Lab., IL (United States); Bona, J.L. [Pennsylvania State Univ., University Park, PA (United States)

1993-06-20T23:59:59.000Z

226

Abstract -This paper presents a methodology and a tool for the coupled magnetic-structural with semi-analytical models. For this  

E-Print Network [OSTI]

Abstract - This paper presents a methodology and a tool for the coupled magnetic-structural with semi-analytical models. For this coupling, the magnetic model is available; we developed the structural MODEL Magnetic fields radiated by permanent magnets and conductors are computed through Coulombian

Boyer, Edmond

227

Phase structure and Higgs boson mass in a Higgs-Yukawa model with a dimension-6 operator  

E-Print Network [OSTI]

We investigate the impact of a $\\lambda_6 \\varphi^6$ term included in a chirally invariant lattice Higgs-Yukawa model. Such a term could emerge from BSM physics at some larger energy scale. We map out the phase structure of the Higgs-Yukawa model with positive $\\lambda_6$ and negative quartic self coupling of the scalar fields. To this end, we evaluate the constraint effective potential in lattice perturbation theory and also determine the magnetization of the model via numerical simulations which allow us to reach also non-perturbative values of the couplings. As a result, we find a complex phase structure with first and second order phase transitions identified through the magnetization. Further we analyze the effect of such a $\\varphi^6$ term on the lower Higgs boson mass bound to see, whether the standard model lower mass bound can be altered.

Chu, David Y -J; Knippschild, Bastian; Lin, C -J David; Nagai, Kei-Ichi; Nagy, Attila

2015-01-01T23:59:59.000Z

228

An equilibrium double-twist model for the radial structure of collagen fibrils  

E-Print Network [OSTI]

Mammalian tissues contain networks and ordered arrays of collagen fibrils originating from the periodic self-assembly of helical 300 nm long tropocollagen complexes. The fibril radius is typically between 25 to 250 nm, and tropocollagen at the surface appears to exhibit a characteristic twist-angle with respect to the fibril axis. Similar fibril radii and twist-angles at the surface are observed in vitro, suggesting that these features are controlled by a similar self-assembly process. In this work, we propose a physical mechanism of equilibrium radius control for collagen fibrils based on a radially varying double-twist alignment of tropocollagen within a collagen fibril. The free-energy of alignment is similar to that of liquid crystalline blue phases, and we employ an analytic Euler-Lagrange and numerical free energy minimization to determine the twist-angle between the molecular axis and the fibril axis along the radial direction. Competition between the different elastic energy components, together with a surface energy, determines the equilibrium radius and twist-angle at the fibril surface. A simplified model with a twist-angle that is linear with radius is a reasonable approximation in some parameter regimes, and explains a power-law dependence of radius and twist-angle at the surface as parameters are varied. Fibril radius and twist-angle at the surface corresponding to an equilibrium free-energy minimum are consistent with existing experimental measurements of collagen fibrils. Remarkably, in the experimental regime, all of our model parameters are important for controlling equilibrium structural parameters of collagen fibrils.

Aidan I Brown; Laurent Kreplak; Andrew D Rutenberg

2014-09-15T23:59:59.000Z

229

Modeling of two-dimensional interrelated heat and mass transfer problems and structure transformation  

Science Journals Connector (OSTI)

A numerical method to solve interrelated heat and mass transfer problems with structure transformation for easily deformable disperse capillary-porous media is suggested. Structure transformations of bodies of...

G. P. Brovka; V. A. Sychevskii

230

Stable spatial Langmuir solitons as a model of long-lived atmospheric plasma structures  

E-Print Network [OSTI]

I study stable spatial Langmuir solitons in plasma based on nonlinear radial oscillations of charged particles. I discuss two situations when a Langmuir soliton can be stable. In the former case the stability of solitons against the collapse is due to electron-electron interactions which result in the nonlocal terms in the nonlinear Schr\\"{o}dinger equation. In the latter situation I derive the new cubic-quintic nonlinear Schr\\"{o}dinger equation with accounts for the interaction of induced dipole moments of diatomic ions with a rapidly oscillating electric field and show that the collapse of Langmuir waves can be also arrested. In both cases I find the numerical solutions of the nonlinear Schr\\"{o}dinger equation and analyze their stability using the Vakhitov-Kolokolov criterion. I discuss the application of my results for the description of long-lived atmospheric plasma structures. I show that, using my model, one can explain the existence of atmospheric plasmoids in the upper ionosphere. It is also demonst...

Dvornikov, Maxim

2014-01-01T23:59:59.000Z

231

Combinatorial optimization model and MIP formulation for the structural analysis of conditional differential-algebraic systems  

Science Journals Connector (OSTI)

In this paper we consider the structural analysis problem for differential-algebraic systems with conditional equations. This problem consists, given a conditional differential-algebraic system, in verifying if the system is structurally nonsingular ... Keywords: Branch-and-Cut algorithm, Differential-algebraic system, Graph, Integer linear program, Matching, Structural analysis

Mathieu Lacroix; A. Ridha Mahjoub; Sébastien Martin

2011-09-01T23:59:59.000Z

232

A model study of the impact of magnetic field structure on atmospheric composition during solar proton events  

E-Print Network [OSTI]

A model study of the impact of magnetic field structure on atmospheric composition during solar is possible into regions that are at the moment effectively shielded by the Earth's magnetic field. A two (process, timescale, magnetostratigraphy); 1650 Global Change: Solar variability; 2716 Magnetospheric

Steinhoff, Heinz-Jürgen

233

Paper No. 2004-mfb-03 Kelly Page: 1 of 4 Tensile Loading of Model Caisson Foundations for Structures on Sand  

E-Print Network [OSTI]

Paper No. 2004-mfb-03 Kelly Page: 1 of 4 Tensile Loading of Model Caisson Foundations for Structures on Sand R.B. Kelly, B.W. Byrne, G.T. Houlsby and C.M. Martin Department of Engineering) (see Byrne et al, 2002; Byrne et al, 2003; Kelly et al, 2003). This paper concentrates on the tensile

Byrne, Byron

234

Multidiscipline Modeling in Materials and Structures Emerald Article: A study of the blast-induced brain white-matter damage  

E-Print Network [OSTI]

Multidiscipline Modeling in Materials and Structures Emerald Article: A study of the blast, (2012),"A study of the blast-induced brain white-matter damage and the associated diffuse axonal injury Abstract Purpose ­ Blast-induced traumatic brain injury (TBI) is a signature injury of the current military

Grujicic, Mica

235

Proceedings of the 7th International Conference on Functional-Structural Plant Models, Saariselk, Finland, 9 -14 June  

E-Print Network [OSTI]

must the FSPM and pathogen models exchange? Can we identify processes that are common to most foliar at different scales: the Multiscale Tree Graph (MTG: Godin and Caraglio, 1998) is used to circulate variables between pathogen ­ FSPM ­ climate through a central data structure representing the canopy (i.e. MTG

Boyer, Edmond

236

Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Federal and State Structures to Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them Michael Mendelsohn and Claire Kreycik Technical Report NREL/TP-6A20-48685 April 2012 NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency & Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. National Renewable Energy Laboratory 15013 Denver West Parkway Golden, Colorado 80401 303-275-3000 * www.nrel.gov Contract No. DE-AC36-08GO28308 Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them Michael Mendelsohn and Claire Kreycik Prepared under Task No. CP09.2320

237

Evaluation of ground movement and damage to structures from Chinese coal mining using a new GIS coupling model  

Science Journals Connector (OSTI)

In this paper, combining a theoretical method of predicting subsidence over time and using a geographical information system (GIS), a GIS-based dynamic model is proposed to rapid simulate the phenomenon of progressive movement distribution from large sequential mining. The theoretical method uses stochastic medium concept involving Knothe time function for basic governing equations to calculate progressive movement because this solutions have been widely developed and used in Chinese mining practice to solve the coal extraction problem under building, railways, and rivers. In order to assess the impact of progressive movement to the surface structures, a fuzzy model is suggested to identify damage classifications with contributions of subsidence calculations and building mesh data. For implementation of the GIS-based prediction and assessment model, a new GIS coupling model is established by implementing tight coupling strategy using the component object model (COM) program to overcome the problems of complex model integration for dynamic prediction and assessment. Furthermore, this paper demonstrates the effectiveness of this GIS-based model for prediction and evaluation of subsidence-induced damage from coal mining beneath surface structures in China.

Ibrahim Djamaluddin; Yasuhiro Mitani; Tetsuro Esaki

2011-01-01T23:59:59.000Z

238

On optimizing Jacobi–Davidson method for calculating eigenvalues in low dimensional structures using eight band k · p model  

SciTech Connect (OSTI)

The paper presents two ways of improving the Jacobi–Davidson method for calculating the eigenvalues and eigenvectors described by eight-band k · p model for quantum dots and other low dimensional structures. First, the method is extended by the application of time reversal symmetry operator. This extension allows efficient calculations of the twofold degeneracy present in the multiband k · p model and other interior eigenvalues. Second, the preconditioner for the indefinite matrix which comes from the discretization of the eight band k · p Hamiltonian is presented. The construction of this preconditioner is based on physical considerations about energy band structure in the k · p model. On the basis of two real examples, it is shown that the preconditioner can significantly shorten the time needed to calculate the interior eigenvalues, despite the fact that the memory usage of the preconditioner and Hamiltionian is comparable. Finally, some technical details for implementing the eight band k · p Hamiltonian and the eigensolver are provided.

Andrzejewski, Janusz, E-mail: Janusz.Andrzejewski@pwr.wroc.pl

2013-09-15T23:59:59.000Z

239

Neutrinos in the holographic dark energy model: constraints from latest measurements of expansion history and growth of structure  

E-Print Network [OSTI]

The model of holographic dark energy (HDE) with massive neutrinos and/or dark radiation is investigated in detail. The background and perturbation evolutions in the HDE model are calculated. We employ the PPF approach to overcome the gravity instability difficulty (perturbation divergence of dark energy) led by the equation-of-state parameter $w$ evolving across the phantom divide $w=-1$ in the HDE model with $c<1$. We thus derive the evolutions of density perturbations of various components and metric fluctuations in the HDE model. The impacts of massive neutrino and dark radiation on the CMB anisotropy power spectrum and the matter power spectrum in the HDE scenario are discussed. Furthermore, we constrain the models of HDE with massive neutrinos and/or dark radiation by using the latest measurements of expansion history and growth of structure, including the Planck CMB temperature data, the baryon acoustic oscillation data, the JLA supernova data, the Hubble constant direct measurement, the cosmic shear...

Zhang, Jing-Fei; Li, Yun-He; Zhang, Xin

2015-01-01T23:59:59.000Z

240

Aeroelastic Modeling of Offshore Turbines and Support Structures in Hurricane-Prone Regions (Poster)  

SciTech Connect (OSTI)

US offshore wind turbines (OWTs) will likely have to contend with hurricanes and the associated loading conditions. Current industry standards do not account for these design load cases (DLCs), thus a new approach is required to guarantee that the OWTs achieve an appropriate level of reliability. In this study, a sequentially coupled aero-hydro-servo-elastic modeling technique was used to address two design approaches: 1.) The ABS (American Bureau of Shipping) approach; and 2.) The Hazard Curve or API (American Petroleum Institute) approach. The former employs IEC partial load factors (PSFs) and 100-yr return-period (RP) metocean events. The latter allows setting PSFs and RP to a prescribed level of system reliability. The 500-yr RP robustness check (appearing in [2] and [3] upcoming editions) is a good indicator of the target reliability for L2 structures. CAE tools such as NREL's FAST and Bentley's' SACS (offshore analysis and design software) can be efficiently coupled to simulate system loads under hurricane DLCs. For this task, we augmented the latest FAST version (v. 8) to include tower aerodynamic drag that cannot be ignored in hurricane DLCs. In this project, a 6 MW turbine was simulated on a typical 4-legged jacket for a mid-Atlantic site. FAST-calculated tower base loads were fed to SACS at the interface level (transition piece); SACS added hydrodynamic and wind loads on the exposed substructure, and calculated mudline overturning moments, and member and joint utilization. Results show that CAE tools can be effectively used to compare design approaches for the design of OWTs in hurricane regions and to achieve a well-balanced design, where reliability levels and costs are optimized.

Damiani, R.

2014-03-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Causal Gene Network Inference from Genetical Genomics Experiments via Structural Equation Modeling.  

E-Print Network [OSTI]

??The goal of this research is to construct causal gene networks for genetical genomics experiments using expression Quantitative Trait Loci (eQTL) mapping and Structural Equation… (more)

Liu, Bing

2006-01-01T23:59:59.000Z

242

Shliomis model-based magnetic squeeze film in rotating rough curved circular plates: a comparison of two different porous structures  

Science Journals Connector (OSTI)

This study aims to analyse the effect of different porous structures on the performance of a Shliomis model-based magnetic squeeze film in rotating rough porous curved circular plates. For porous structures Kozeny-Carman's formulation and Irmay's model have been adopted. A Shliomis model-based magnetic fluid flow is considered. The stochastically averaging models of Christensen and Tonder have been used for characterising the effect of transverse roughness. The associated stochastically averaged Reynolds type equation is solved to obtain the pressure distribution leading to the calculation of the load carrying capacity. The results presented in graphical form show that the adverse effect of transverse roughness can be compensated by the positive effect of magnetisation in the case of negatively skewed roughness, suitably choosing the rotation ratio and the curvature parameters. Further, this compensation appears to be more in the case of Kozeny-Carman's formulation as compared to that of Irmay's model, which makes the Kozeny-Carman's model a superior choice.

Jimit R. Patel; Gunamani Deheri

2014-01-01T23:59:59.000Z

243

Final Progress Report: FRACTURE AND SUBCRITICAL DEBONDING IN THIN LAYERED STRUCTURES: EXPERIMENTS AND MULTI-SCALE MODELING  

SciTech Connect (OSTI)

Final technical report detailing unique experimental and multi-scale computational modeling capabilities developed to study fracture and subcritical cracking in thin-film structures. Our program to date at Stanford has studied the mechanisms of fracture and fatigue crack-growth in structural ceramics at high temperature, bulk and thin-film glasses in selected moist environments where we demonstrated the presence of a true mechanical fatigue effect in some glass compositions. We also reported on the effects of complex environments and fatigue loading on subcritical cracking that effects the reliability of MEMS and other micro-devices using novel micro-machined silicon specimens and nanomaterial layers.

Reinhold H. Dauskardt

2005-08-30T23:59:59.000Z

244

Quantum-electrodynamic model of the finite-size electron and calculation of the fine-structure constant  

E-Print Network [OSTI]

We propose a model of a relativistic string formed by a scalar complex field, acting as electromagnetic field source. An axiosymmetric solutions of the stationary equations for the scalar and electromagnetic fields are found numerically. The mass $m$ is calculated as a function of the charge $e$ and the magnetic moment $\\mu$ of the system. The resulting toroidal structure is interpreted as an electron because the calculated ratio $e^3/(2mc^2\\mu)$ coincides with the fine-structure constant $\\alpha=e^2/(\\hbar c)\\approx e^3/(2m_ec^2\\mu_e)$.

E. P. Likhtman

2006-11-05T23:59:59.000Z

245

Review Paper. Interest–rate term–structure pricing models: a review  

Science Journals Connector (OSTI)

...complex trader will enter a transaction with...Interest-rate term-structure pricing...evolution of the term structure of volatilities...More generally, the search for greater and greater...products. In broad terms, however, some...and issuers in search of `advantageous...

2004-01-01T23:59:59.000Z

246

Modeling Actuation Forces and Strains in Nastic Structures Luke A. Matthews, Victor Giurgiutiu  

E-Print Network [OSTI]

conducted to re-create a membrane using phospholipids and transport proteins extracted from plants [10 a phospholipid bilayer with embedded active transport proteins, which move the water from the low pressure fluid structures; induced strain actuation; active materials; smart structures; biotransport; ion pumps; ATP, SUT-4

Giurgiutiu, Victor

247

ROBUST FAULT DETECTION BASED ON MULTIPLE FUNCTIONAL SERIES TAR MODELS FOR STRUCTURES WITH TIME-DEPENDENT  

E-Print Network [OSTI]

Health Monitoring of operating wind turbines is challenging, as those structures are characterized. The particular case of operating wind turbines is challeng- ing, as those structures are characterized by complex, analyzed and compared within the problem of vibration based fault detection on operating wind turbines

Boyer, Edmond

248

Dynamics of structures coupled with elastic media -a review of numerical models and methods  

E-Print Network [OSTI]

of modification. Basically, the structure is the object of engineering design and concern, while the environment voie des vignes, F-92295 Ch^atenay-Malabry, France bDepartment of Civil Engineering, K in the field of structure-environment interaction problems, in which the environment is an elastic body

Paris-Sud XI, Université de

249

Modeling the Cost Structure of Public Transit Firms: Scale Economies and Functional Form (#09-3435) Michael Iacono, University of Minnesota  

E-Print Network [OSTI]

Modeling the Cost Structure of Public Transit Firms: Scale Economies and Functional Form (#09-3435) Michael Iacono, University of Minnesota Abstract This study analyzes the cost structure of a set of medium in the production of transit services. Short and long-run costs are modeled using two of the more commonly

Levinson, David M.

250

A Chiral Schwinger model, its Constraint Structure and Applications to its Quantization  

E-Print Network [OSTI]

The Jackiw-Rajaraman version of the chiral Schwinger model is studied as a function of the renormalization parameter. The constraints are obtained and they are used to carry out canonical quantization of the model by means of Dirac brackets. By introducing an additional scalar field, it is shown that the model can be made gauge invariant. The gauge invariant model is quantized by establishing a pair of gauge fixing constraints in order that the method of Dirac can be used.

Paul Bracken

2007-10-12T23:59:59.000Z

251

Modeling multi-stream flow in collisionless matter: approximations for large-scale structure beyond shell-crossing  

E-Print Network [OSTI]

The generally held view that a model of large-scale structure, formed by collisionless matter in the Universe, can be based on the matter model ``dust'' fails in the presence of multi-stream flow, i.e., velocity dispersion. We argue that models for large-scale structure should rather be constructed for a flow which describes the average motion of a multi-stream system. We present a clearcut reasoning how to approach the problem and derive an evolution equation for the mean peculiar-velocity relative to background solutions of Friedmann-Lema\\^\\i tre type. We consider restrictions of the nonlinear problem and show that the effect of velocity dispersion gives rise to an effective viscosity of non-dissipative gravitational origin. We discuss subcases which arise naturally from this approach: the ``sticky particle model'' and the ``adhesion approximation''. We also construct a novel approximation that features adhesive action in the multi-stream regime while conserving momentum, which was considered a drawback of the standard approximation based on Burger's equation. We finally argue that the assumptions made to obtain these models should be relaxed and we discuss how this can be achieved.

Thomas Buchert; Alvaro Dominguez

1998-05-27T23:59:59.000Z

252

Offshore floating vertical axis wind turbines, dynamics modelling state of the art. Part II: Mooring line and structural dynamics  

Science Journals Connector (OSTI)

Abstract The need to exploit enhanced wind resources far offshore as well as in deep waters requires the use of floating support structures to become economically viable. The conventional three-bladed horizontal axis wind turbine may not continue to be the optimal design for floating applications. Therefore it is important to assess alternative concepts in this context that may be more suitable. Vertical axis wind turbines (VAWTs) are a promising concept, and it is important to first understand the coupled and relatively complex dynamics of floating \\{VAWTs\\} to assess their technical feasibility. As part of this task, a series of articles have been developed to present a comprehensive literature review covering the various areas of engineering expertise required to understand the coupled dynamics involved in floating VAWTs. This second article focuses on the modelling of mooring systems and structural behaviour of floating VAWTs, discussing various mathematical models and their suitability within the context of developing a model of coupled dynamics. Emphasis is placed on computational aspects of model selection and development as computational efficiency is an important aspect during preliminary design stages. This paper has been written both for researchers new to this research area, outlining underlying theory whilst providing a comprehensive review of the latest work, and for experts in this area, providing a comprehensive list of the relevant references where the details of modelling approaches may be found.

Michael Borg; Maurizio Collu; Athanasios Kolios

2014-01-01T23:59:59.000Z

253

Linking transaction cost and social exchange theory to explain strategic alliance performance: a meta-analytic structural equation model  

Science Journals Connector (OSTI)

Drawing on transaction cost economics (TCE) and social exchange theory (SET), we develop and test an integrative model of strategic alliance performance using meta-analytic structural equation modelling. Results reveal that TCE's key constructs (e.g., relationship specific investments, opportunism, and environmental uncertainty) influence SET's key constructs (e.g., trust and commitment) which in turn increase different strategic alliance performance outcomes (e.g., satisfaction, goal fulfilment, profitability, and stability). Further, our results show that the different outcome variables are distinct constructs, which measure different facets of strategic alliance performance.

Rodrigo Isidor; Holger Steinmetz; Christian Schwens; Ruediger Kabst

2014-01-01T23:59:59.000Z

254

Fundamentals of mechanical behavior in structural intermetallics: A synthesis of atomistic and continuum modeling  

SciTech Connect (OSTI)

After a brief account of the recent advances in computational research on mechanical behavior of structural intermetallics, currently unresolved problems and critical issues are addressed and the knowledge base for potential answers to these problems is discussed. As large-scale problems (e.g., dislocation core structures, grain boundaries, and crack tips) are treated by atomistic simulations, future development of relevant interatomic potentials should be made consistent with the results of first-principles calculations. The bulk and defect properties calculated for intermetallic compounds, both known and as yet untested, can furnish insights to alloy designers in search of new high-temperature structural intermetallics.

Yoo, M.H.; Fu, C.L.

1993-08-01T23:59:59.000Z

255

Two-Factor Model of Soil Suction from Capillarity, Shrinkage, Adsorbed Film, and Intra-aggregate Structure  

E-Print Network [OSTI]

The objective of this work is to derive the soil water retention from the soil structure without curve-fitting and only using the physical parameters found irrespective of an experimental retention curve. Two key points underlie the work: (i) the soil suction at drying coincides with that of the soil intra-aggregate matrix and contributive clay; and (ii) both the soil suction and volume shrinkage at drying depend on the same soil water content. In addition the two following results are used: (i) the available two-factor (capillarity and shrinkage) model of clay suction enables one to connect a clay suction and clay water content using the clay matrix structure; and (ii) the recent reference shrinkage curve model based on the concepts of intra-aggregate soil structure permits one to connect the soil water content at shrinkage with the water content of the contributive clay. With that the available two-factor model was essentially modified and, in particular, the effect of adsorbed water film was taken into acc...

Chertkov, V Y

2014-01-01T23:59:59.000Z

256

GWIDD: a comprehensive resource for genome-wide structural modeling of protein-protein interactions  

E-Print Network [OSTI]

Protein-protein interactions are a key component of life processes. The knowledge of the three-dimensional structure of these interactions is important for understanding protein function. Genome-Wide Docking Database ...

Kundrotas, Petras J.; Zhu, Zhengwei; Vakser, Ilya A.

2012-07-11T23:59:59.000Z

257

SecStAnT: secondary structure analysis tool for data selection, statistics and models building  

Science Journals Connector (OSTI)

......is calculated 3.2 Structural dataset Two sample datasets were built, one for alpha helical...unstructured fragments. Each dataset was separated in two subsets of X-ray crystallographic and nuclear magnetic resonance (NMR......

Giuseppe Maccari; Giulia L.B. Spampinato; Valentina Tozzini

2014-03-01T23:59:59.000Z

258

Testing turbulent convection theory in solar models – I. Structure of the solar convection zone  

Science Journals Connector (OSTI)

......outer envelope of the Sun, low-temperature opacities from Alexander...SSM. Fig. 9 shows the distribution of the temperature gradient in the solar...on the structure of the Sun, especially the temperature gradient in the convection......

Y. Li; J. Y. Yang

2007-02-11T23:59:59.000Z

259

Direct comparison of Neural Network, Fuzzy Logic and Model Prediction Variable Structure vortex flow controllers  

E-Print Network [OSTI]

Predictive Variable Structure and Fuzzy Logic based controllers for the same benchmark problem. Evaluation criteria consist of closed-loop system performance, activity level of the VFC nozzles, ease of controller synthesis, time required to synthesize...

Joshi, Praveen Sudhakar

2012-06-07T23:59:59.000Z

260

Experimental investigation and constitutive modeling of metallic honeycombs in sandwich structures  

E-Print Network [OSTI]

Traditionally, honeycomb sandwich structures are designed in the elastic range, but recent studies on the crushing of sandwich profiles have shown their potential in crashworthiness applications. Thin sandwich sheets also ...

Mohr, Dirk, 1976-

2003-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

A statistical and structural approach for symbol recognition, using XML modelling  

E-Print Network [OSTI]

level, it re- lies on proximity relations between the loops in order to rebuild loop graphs representation of process results. 1 Introduction The current improvements of intranet structures allow large

Boyer, Edmond

262

A Statistical and Structural Approach for Symbol Recognition, Using XML Modelling  

Science Journals Connector (OSTI)

This paper deals with the problem of symbol recognition in technical document interpretation. We present a system using a statistical and structural approach. This system uses two interpretation levels. In a first level, the system extracts and recognizes ...

Mathieu Delalandre; Pierre Héroux; Sébastien Adam; Eric Trupin; Jean-Marc Ogier

2002-08-01T23:59:59.000Z

263

A model of the subsurface structure at the Rye Patch geothermal...  

Open Energy Info (EERE)

the subsurface structure at the Rye Patch geothermal reservoir based on surface-to-borehole seismic data Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal...

264

First-principles molecular modeling of structure-property relationships and reactivity in the zeolite chabazite  

E-Print Network [OSTI]

Zeolites are crystalline, porous aluminosilicates; while a pure silicate structure is charge-neutral, the substitution of A1³? for Si?? creates in the framework a negative charge, which can be compensated by a proton that ...

Lo, Cynthia

2005-01-01T23:59:59.000Z

265

Computational approaches to modeling the conserved structural core among distantly homologous proteins  

E-Print Network [OSTI]

Modem techniques in biology have produced sequence data for huge quantities of proteins, and 3-D structural information for a much smaller number of proteins. We introduce several algorithms that make use of the limited ...

Menke, Matthew Ewald, 1978-

2009-01-01T23:59:59.000Z

266

Structure model for the () phase in Al-Cr-Si alloys deduced from the phase by the strong-reflections approach  

Science Journals Connector (OSTI)

Two closely related quasicrystal approximants are expected to have similar crystallographic structure-factor amplitudes and phases for the strong reflections so the structure of an unknown quasicrystal approximant can be solved from a related known quasicrystal approximant. This strong-reflections approach is applied to the new ()-AlCrSi phase and a structure model of () is deduced from the structure of the related -Al4Mn phase.

Zhang, H.

2006-01-17T23:59:59.000Z

267

Two-Factor Model of Soil Suction from Capillarity, Shrinkage, Adsorbed Film, and Intra-aggregate Structure  

E-Print Network [OSTI]

The objective of this work is to derive the soil water retention from the soil structure without curve-fitting and only using the physical parameters found irrespective of an experimental retention curve. Two key points underlie the work: (i) the soil suction at drying coincides with that of the soil intra-aggregate matrix and contributive clay; and (ii) both the soil suction and volume shrinkage at drying depend on the same soil water content. In addition the two following results are used: (i) the available two-factor (capillarity and shrinkage) model of clay suction enables one to connect a clay suction and clay water content using the clay matrix structure; and (ii) the recent reference shrinkage curve model based on the concepts of intra-aggregate soil structure permits one to connect the soil water content at shrinkage with the water content of the contributive clay. With that the available two-factor model was essentially modified and, in particular, the effect of adsorbed water film was taken into account. The developed model includes the following input parameters: the solid density, relative volume of contributive-clay solids, relative volume of contributive clay in the oven-dried state, soil clay content, aggregate/intra-aggregate mass ratio, and specific volume of lacunar pores in the aggregates at maximum swelling. The validation of the model is based on available data of water retention and the above input parameters for six soils. A promising agreement between the predicted and observed water retention curves was found.

V. Y. Chertkov

2014-04-21T23:59:59.000Z

268

Modelling market diffusion of electric vehicles with real world driving data — Part I: Model structure and validation  

Science Journals Connector (OSTI)

Abstract The future market diffusion of electric vehicles (EVs) is of great importance for transport related green house gas emissions and energy demand. But most studies on the market diffusion of \\{EVs\\} focus on average driving patters and neglect the great variations in daily driving of individuals present in real-world driving data. Yet these variations are important for \\{EVs\\} since range limitations and the electric driving share of plug-in hybrids strongly impact the economic evaluation and consumer acceptance of EVs. Additionally, studies often focus on private cars only and neglect that commercial buyers account for relevant market shares in vehicle sales. Here, we propose a detailed, user specific model for the market diffusion of \\{EVs\\} and evaluation of EV market diffusion policies based on real-world driving data. The data and model proposed include both private and commercial users in Germany and allow the calculation of realistic electric driving shares for all usage patterns. The proposed model explicitly includes user heterogeneity in driving behaviour, different user groups, psychological aspects and the effect of charge-at-home options. Our results show that the proposed model reproduces group specific market shares, gives confidence bands of market shares and simulates individual electric driving shares.

Patrick Plötz; Till Gnann; Martin Wietschel

2014-01-01T23:59:59.000Z

269

From screen to structure with a harvestable microfluidic device  

SciTech Connect (OSTI)

Advances in automation have facilitated the widespread adoption of high-throughput vapor-diffusion methods for initial crystallization screening. However, for many proteins, screening thousands of crystallization conditions fails to yield crystals of sufficient quality for structural characterization. Here, the rates of crystal identification for thaumatin, catalase and myoglobin using microfluidic Crystal Former devices and sitting-drop vapour-diffusion plates are compared. It is shown that the Crystal Former results in a greater number of identified initial crystallization conditions compared with vapor diffusion. Furthermore, crystals of thaumatin and lysozyme obtained in the Crystal Former were used directly for structure determination both in situ and upon harvesting and cryocooling. On the basis of these results, a crystallization strategy is proposed that uses multiple methods with distinct kinetic trajectories through the protein phase diagram to increase the output of crystallization pipelines.

Stojanoff V.; Jakonic, J.; Oren, D.A.; Nagarajan, V.; Navarro Poulsen, J.C.; Adams-Cioaba, M.A.; Bergfors, T. and Sommer, M.O.A.

2011-06-21T23:59:59.000Z

270

A model study of the forces due to oscillatory waves on submerged structures  

E-Print Network [OSTI]

satisfies the necessary boundary conditions is sought. Once it 1s found, the dynam1c pressure distribution is determined from the linearized Bernouili equation. The forces are obtained by 1ntegrating the pressure d1stribut1on over the surface... significant linear dimension equal to the height of the model squared divided by the length of the model in the direction of wave propagation for all models except the flat plate height of model for flat plate water depth 10 H = wave height v...

Versowsky, Paul Edward

1973-01-01T23:59:59.000Z

271

An Isopycnal Box Model with predictive deep-ocean structure for biogeochemical cycling applications  

Science Journals Connector (OSTI)

To simulate global ocean biogeochemical tracer budgets a model must accurately determine both the volume and surface origins of each water-mass. Water-mass volumes are dynamically linked to the ocean circulation in General Circulation Models, but at the cost of high computational load. In computationally efficient Box Models the water-mass volumes are simply prescribed and do not vary when the circulation transport rates or water mass densities are perturbed. A new computationally efficient Isopycnal Box Model is presented in which the sub-surface box volumes are internally calculated from the prescribed circulation using a diffusive conceptual model of the thermocline, in which upwelling of cold dense water is balanced by a downward diffusion of heat. The volumes of the sub-surface boxes are set so that the density stratification satisfies an assumed link between diapycnal diffusivity, ?d, and buoyancy frequency, N: ?d = c/(N?), where c and ? are user prescribed parameters. In contrast to conventional Box Models, the volumes of the sub-surface ocean boxes in the Isopycnal Box Model are dynamically linked to circulation, and automatically respond to circulation perturbations. This dynamical link allows an important facet of ocean biogeochemical cycling to be simulated in a highly computationally efficient model framework.

Philip Goodwin

2012-01-01T23:59:59.000Z

272

Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices  

Science Journals Connector (OSTI)

The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor field effect transistors (MOSFETs), has given rise to a pressing demand in the new theoretical understanding and practical tactic for dealing with quantum mechanical ... Keywords: Interface model, MOSFET, Mathematical modeling, Nano-electronic device, Poisson-Schrödinger equations, Quantum effects, Random dopant

Duan Chen; Guo-Wei Wei

2010-06-01T23:59:59.000Z

273

LIKELIHOOD RATIO TESTS FOR THE STRUCTURAL CHANGE OF AN AR(P) MODEL TO A THRESHOLD  

E-Print Network [OSTI]

or econo- metric model is stable to some possible events, such as the great depres- sion/expansion, oil price shocks and abrupt policy intervention. Due to the well need for model stability, a lot) and Quandt (1960). For the history and more early results, we refer to Horv´ath (1993, 1995) and Cs

Ling, Shiqing

274

A physical model of the turbulent boundary layer consonant with mean momentum balance structure  

Science Journals Connector (OSTI)

...compared with the prevalent, well-established, model. Some...O(U ) ((u tau /kappa)log(delta/C)) D (wake layer...Engineering, University of Alabama. Wark, C.E , and H.M Nagib1991Experimental...comparison, the prevalent, well-established, physical model...

2007-01-01T23:59:59.000Z

275

Structural-chemical modeling of transition of coals to the plastic state  

SciTech Connect (OSTI)

The structural-chemical simulation of the formation of plastic state during the thermal treatment (pyrolysis, coking) of coals is based on allowance for intermolecular interactions in the organic matter. The feasibility of transition of coals to the plastic state is determined by the ratio between the onset plastic state (softening) and runaway degradation temperatures, values that depend on the petrographic composition and the degree of metamorphism of coals and the distribution of structural and chemical characteristics of organic matter. 33 refs., 8 figs., 2 tabs.

A.M. Gyul'maliev; S.G. Gagarin [FGUP Institute for Fossil Fuels, Moscow (Russian Federation)

2007-02-15T23:59:59.000Z

276

Computational methods for constructing protein structure models from 3D electron microscopy maps  

E-Print Network [OSTI]

into a low-res- olution EM map. A list of available computational tools is also provided. Ã? 2013 Elsevier Inc, Purdue University, West Lafayette, IN 47907, USA b Department of Biological Sciences, College of Science, Purdue University, West Lafayette, IN 47907, USA c Markey Center for Structural Biology, College

Kihara, Daisuke

277

THEMATICS is effective for active site prediction in comparative model structures  

Science Journals Connector (OSTI)

THEMATICS (Theoretical Microscopic Titration Curves) is a simple, reliable computational predictor of the active sites of enzymes from structure. Our method, based on well-established Finite Difference Poisson-Boltzmann techniques, identifies the ionisable ... Keywords: THEMATICS, electrostatics, functional genomics, protein function, titration

Ihsan A. Shehadi; Alper Uzun; Leonel F. Murga; Valentin Ilyin; Mary Jo Ondrechen

2004-01-01T23:59:59.000Z

278

Vehicle Technologies Office Merit Review 2014: Validation of Material Models for Automotive Carbon Fiber Composite Structures  

Broader source: Energy.gov [DOE]

Presentation given by General Motors at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about validation of material models...

279

Dynamic soil-structure interaction-comparison of FEM model with experimental results  

E-Print Network [OSTI]

to represent twenty different laboratory experiments. The results of these models are compared with results available from extensive experimental dynamic testing on a geotechnical centrifuge. Though the various results from the finite element analysis...

Srinivasan, Palanivel Rajan

2012-06-07T23:59:59.000Z

280

RELAP5/MOD3 code manual: Code structure, system models, and solution methods. Volume 1  

SciTech Connect (OSTI)

The RELAP5 code has been developed for best estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents, and operational transients, such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling, approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I provides modeling theory and associated numerical schemes.

NONE

1995-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Structure of finite-RSB asymptotic Gibbs measures in the diluted spin glass models  

E-Print Network [OSTI]

We suggest a possible approach to proving the M\\'ezard-Parisi formula for the free energy in the diluted spin glass models, such as diluted K-spin or random K-sat model at any positive temperature. In the main contribution of the paper, we show that a certain small modification of the Hamiltonian in any of these models forces all finite-RSB asymptotic Gibbs measures in the sense of the overlaps to satisfy the M\\'ezard-Parisi ansatz for the distribution of spins. Unfortunately, what is still missing is a description of the general full-RSB asymptotic Gibbs measures. If one could show that the general case can be approximated by finite-RSB case in the right sense then one could a posteriori remove the small modification of the Hamiltonian to recover the M\\'ezard-Parisi formula for the original model.

Dmitry Panchenko

2014-06-18T23:59:59.000Z

282

Preliminary Functional-Structural Modeling on Poplar (Salicaceae) Dongxiang Liu1  

E-Print Network [OSTI]

. It is cultivated in plantations not only for paper, wood products and energy, but also for soil erosion control [1 of poplar at growing season [6]. These models are helpful to understand crop production and management

Paris-Sud XI, Université de

283

Assessing Invariance of Factor Structures and Polytomous Item Response Model Parameter Estimates  

E-Print Network [OSTI]

.e., identical items, different people) for the homogenous graded response model (Samejima, 1969) and the partial credit model (Masters, 1982)? To evaluate measurement invariance using IRT methods, the item discrimination and item difficulty parameters... obtained from the GRM need to be equivalent across datasets. The YFCY02 and YFCY03 GRM item discrimination parameters (slope) correlation was 0.828. The YFCY02 and YFCY03 GRM item difficulty parameters (location) correlation was 0...

Reyes, Jennifer McGee

2012-02-14T23:59:59.000Z

284

Simulation of ultrafast heating induced structural dynamics using a one-dimensional spring model  

Science Journals Connector (OSTI)

We developed a one-dimensional spring model to study the dynamics of lattice motion upon ultrafast laser heating. Using this model, we simulated atomic positions as a function of time in a free-standing thin monoatomic metal film as well as in a thin film on a substrate. In particular, we studied how the electronic thermal stress influences lattice expansion after the ultrafast laser heating. The simulation results agree very well with experimental data obtained with femtosecond electron diffraction.

Junjie Li; Rick Clinite; Xuan Wang; Jianming Cao

2009-07-22T23:59:59.000Z

285

Modeling and Algorithmic Approaches to Constitutively-Complex, Micro-structured Fluids  

SciTech Connect (OSTI)

The team for this Project made significant progress on modeling and algorithmic approaches to hydrodynamics of fluids with complex microstructure. Our advances are broken down into modeling and algorithmic approaches. In experiments a driven magnetic bead in a complex fluid accelerates out of the Stokes regime and settles into another apparent linear response regime. The modeling explains the take-off as a deformation of entanglements, and the longtime behavior is a nonlinear, far-from-equilibrium property. Furthermore, the model has predictive value, as we can tune microstructural properties relative to the magnetic force applied to the bead to exhibit all possible behaviors. Wave-theoretic probes of complex fluids have been extended in two significant directions, to small volumes and the nonlinear regime. Heterogeneous stress and strain features that lie beyond experimental capability were studied. It was shown that nonlinear penetration of boundary stress in confined viscoelastic fluids is not monotone, indicating the possibility of interlacing layers of linear and nonlinear behavior, and thus layers of variable viscosity. Models, algorithms, and codes were developed and simulations performed leading to phase diagrams of nanorod dispersion hydrodynamics in parallel shear cells and confined cavities representative of film and membrane processing conditions. Hydrodynamic codes for polymeric fluids are extended to include coupling between microscopic and macroscopic models, and to the strongly nonlinear regime.

Forest, Mark Gregory [University of North Carolina at Chapel Hill] [University of North Carolina at Chapel Hill

2014-05-06T23:59:59.000Z

286

3D Field-Scale Reactive Transport Modeling of In Situ Immobilization of Uranium in Structured Porous Media via Biostimulation  

SciTech Connect (OSTI)

A several-month-long ethanol injection experiment is being conducted to study the impacts of porous media structure (i.e., heterogeneity existing at multiple scales) on the effectiveness of metal/radionuclide bioremediation in a highly heterogeneous unconfined aquifer near Oak Ridge, TN, USA. We have constructed a 3D field-scale groundwater flow and multicomponent reactive transport model to simulate the experimental observations. The model incorporates a suite of abiotic reactions and microbially-mediated redox reactions for multiple terminal electron accepting processes (TEAPs) including soluble oxygen, nitrate, U(VI) and sulfate and solid-phase electron acceptors. Different biomass populations are considered in the model. Growth of these populations is derived from the bioenergetics-based approach in which the partitioning of electron flow between energy generation and cell biomass production is dependent on the free energy of the corresponding TEAP. TEAP reaction rates were free energy constrained. The TEAP model and reaction system have been formulated and used to simulate laboratory batch experimental observations. We conducted the field-scale simulation starting with the reaction system and parameters obtained from the batch experiment and hydrologic parameters estimated from the results of pumping tests, water level monitoring and model interpretation of a tracer test conducted in August 2004. Reaction parameters were investigated to compare simulation results and field experiment observations.

Fang, Yilin; Scheibe, Timothy D.; Roden, Eirc E.; Kamolpornwijit, Wiwat; Brooks, Scott C.

2006-09-12T23:59:59.000Z

287

Measurements and modeling of radio frequency field structures in a helicon plasma  

SciTech Connect (OSTI)

Measurements of the radio frequency (rf) field structure, plasma density, and electron temperature are presented for a 1 kW argon helicon plasma source. The measured profiles change considerably when the equilibrium magnetic field is reversed. The measured rf fields are identified as fields of radially localized helicon waves, which propagate in the axial direction. The rf field structure is compared to the results of two-dimensional cold plasma full-wave simulations for the measured density profiles. Electron collision frequency is adjusted in the simulations to match the simulated and measured field profiles. The resulting frequency is anomalously high, which is attributed to the excitation of an ion-acoustic instability. The calculated power deposition is insensitive to the collision frequency and accounts for most of the power supplied by the rf-generator.

Lee, C. A. [University of Texas, Austin; Chen, Guangye [ORNL; Arefiev, A. V. [University of Texas, Austin; Bengtson, R. D. [University of Texas, Austin; Breizman, B. N. [University of Texas, Austin

2011-01-01T23:59:59.000Z

288

Millimeter radiation from a 3D model of the solar atmosphere I. Diagnosing chromospheric thermal structure  

E-Print Network [OSTI]

Aims. We use advanced 3D NLTE radiative magnetohydrodynamic simulations of the solar atmosphere to carry out detailed tests of chromospheric diagnostics at millimeter and submillimeter wavelengths. Methods. We focused on the diagnostics of the thermal structure of the chromosphere in the wavelength bands from 0.4 mm up to 9.6 mm that can be accessed with the Atacama Large Millimeter/Submillimeter Array (ALMA) and investigated how these diagnostics are affected by the instrumental resolution. Results. We find that the formation height range of the millimeter radiation depends on the location in the simulation domain and is related to the underlying magnetic structure. Nonetheless, the brightness temperature is a reasonable measure of the gas temperature at the effective formation height at a given location on the solar surface. There is considerable scatter in this relationship, but this is significantly reduced when very weak magnetic fields are avoided. Our results indicate that although instrumental smearin...

Loukitcheva, Maria; Carlsson, Mats; White, Stephen

2015-01-01T23:59:59.000Z

289

Percolative c(2×2) adlayer structure in nonequilibrium adsorption models  

Science Journals Connector (OSTI)

We consider simple adsorption models describing two systems [H2O on Fe(001) and O2 on Pd(100)] in which c(2×2) short-range order is formed during chemisorption, and metastable saturation states result. This ordering is characterized using concepts from correlated percolation theory. Rapid increases in average domain size near saturation are associated with ‘‘ghost percolation thresholds’’ just above saturation. Generalizing these adsorption models to include an island-forming propensity, ?, is shown to move the saturation state closer to c(2×2) percolation. The ??? behavior is elucidated by analyzing corresponding ‘‘continuum two-phase grain growth models’’ using ideas from stochastic geometry, continuum, and random lattice percolation theory.

J. W. Evans and D. E. Sanders

1989-01-15T23:59:59.000Z

290

Hubble expansion and structure formation in the "running FLRW model" of the cosmic evolution  

E-Print Network [OSTI]

A new class of FLRW cosmological models with time-evolving fundamental parameters should emerge naturally from a description of the expansion of the universe based on the first principles of quantum field theory and string theory. Within this general paradigm, one expects that both the gravitational Newton's coupling, G, and the cosmological term, Lambda, should not be strictly constant but appear rather as smooth functions of the Hubble rate. This scenario ("running FLRW model") predicts, in a natural way, the existence of dynamical dark energy without invoking the participation of extraneous scalar fields. In this paper, we perform a detailed study of these models in the light of the latest cosmological data, which serves to illustrate the phenomenological viability of the new dark energy paradigm as a serious alternative to the traditional scalar field approaches. By performing a joint likelihood analysis of the recent SNIa data, the CMB shift parameter, and the BAOs traced by the Sloan Digital Sky Survey,...

Grande, Javier; Basilakos, Spyros; Plionis, Manolis

2011-01-01T23:59:59.000Z

291

Simplified Risk Model Version II (SRM-II) Structure and Application  

SciTech Connect (OSTI)

The Simplified Risk Model Version II (SRM-II) is a quantitative tool for efficiently evaluating the risk from Department of Energy waste management activities. Risks evaluated include human safety and health and environmental impact. Both accidents and normal, incident-free operation are considered. The risk models are simplifications of more detailed risk analyses, such as those found in environmental impact statements, safety analysis reports, and performance assessments. However, wherever possible, conservatisms in such models have been removed to obtain best estimate results. The SRM-II is used to support DOE complex-wide environmental management integration studies. Typically such studies involve risk predictions covering the entire waste management program, including such activities as initial storage, handling, treatment, interim storage, transportation, and final disposal.

S. A. Eide; T. E. Wierman

1999-08-01T23:59:59.000Z

292

Simplified Risk Model Version II (SRM-II) Structure and Application  

SciTech Connect (OSTI)

The Simplified Risk Model Version II (SRM-II) is a quantitative tool for efficiently evaluating the risk from Department of Energy waste management activities. Risks evaluated include human safety and health and environmental impact. Both accidents and normal, incident-free operation are considered. The risk models are simplifications of more detailed risk analyses, such as those found in environmental impact statements, safety analysis reports, and performance assessments. However, wherever possible, conservatisms in such models have been removed to obtain best estimate results. The SRM-II is used to support DOE complex-wide environmental management integration studies. Typically such activities involve risk predictions including such activities as initial storage, handling, treatment, interim storage, transportation, and final disposal.

Eide, Steven Arvid; Wierman, Thomas Edward

1999-08-01T23:59:59.000Z

293

Using a 3D finite element forward modeling code to analyze resistive structures with controlled-source electromagnetics in a marine environment  

E-Print Network [OSTI]

to simulate CSEM experiments. The objective of the present study is to model the changes in electromagnetic response for a resistive disk and a more geometrically complex structure, which are rough approximations of hydrocarbon reservoirs. The parameters...

King, Joshua David

2005-02-17T23:59:59.000Z

294

Hubble expansion and structure formation in the "running FLRW model" of the cosmic evolution  

E-Print Network [OSTI]

A new class of FLRW cosmological models with time-evolving fundamental parameters should emerge naturally from a description of the expansion of the universe based on the first principles of quantum field theory and string theory. Within this general paradigm, one expects that both the gravitational Newton's coupling, G, and the cosmological term, Lambda, should not be strictly constant but appear rather as smooth functions of the Hubble rate. This scenario ("running FLRW model") predicts, in a natural way, the existence of dynamical dark energy without invoking the participation of extraneous scalar fields. In this paper, we perform a detailed study of these models in the light of the latest cosmological data, which serves to illustrate the phenomenological viability of the new dark energy paradigm as a serious alternative to the traditional scalar field approaches. By performing a joint likelihood analysis of the recent SNIa data, the CMB shift parameter, and the BAOs traced by the Sloan Digital Sky Survey, we put tight constraints on the main cosmological parameters. Furthermore, we derive the theoretically predicted dark-matter halo mass function and the corresponding redshift distribution of cluster-size halos for the "running" models studied. Despite the fact that these models closely reproduce the standard LCDM Hubble expansion, their normalization of the perturbation's power-spectrum varies, imposing, in many cases, a significantly different cluster-size halo redshift distribution. This fact indicates that it should be relatively easy to distinguish between the "running" models and the LCDM cosmology using realistic future X-ray and Sunyaev-Zeldovich cluster surveys.

Javier Grande; Joan Sola; Spyros Basilakos; Manolis Plionis

2011-08-07T23:59:59.000Z

295

Growth of sheets in 3D confinements - a model for the C-S-H meso 2 structure  

E-Print Network [OSTI]

.20 2.0 0 02 5 6 8 P0 rog resVaVNeoml i eet al. di al TmVGl Tewt Vhl eRWwWDml di al TmVGl Tewt Vhl eWi RWwWDml rhVaal TWi f ehI TRl en h p022ei ewt Al Tl Figure 6: Example scattering curves obtained for structure (h) in Figure 3 together with small... ] H. M. Jennings, Refinements to colloid model of C-S-H in cement: CM-II, Cem. Conc. Res 38 (3) (2008) 275–289.293 [7] R. F. Feldman, P. J. Sereda, New model for hydrated portland cement and its practical implications, Eng.J.-Canada294 53 (8/9) (1970...

Etzold, Merlin A.; McDonald, Peter J.; Routh, Alexander F.

2014-06-21T23:59:59.000Z

296

A Structure-Preserving Model and Sufficient Condition for Frequency Synchronization of Lossless Droop Inverter-Based AC Networks  

SciTech Connect (OSTI)

This paper presents a new method for analysis of frequency synchronization of lossless power networks whose sources are frequency-droop controlled inverters. Unlike most existing approaches, our method focuses on the interaction between inverters and the network to provide new physical insight into how those interactions create frequency synchronization. We introduce two structure-preserving models of such a network (one bus-oriented and one line-oriented), and show that frequency synchronization corresponds to convergence to an equilibrium of these models. We derive a necessary condition for existence of such equilibria, and determine a simple test for their local stability. Finally, we introduce a sufficient condition for frequency synchronization of such networks, and show that it consists of a set of local criteria which can each be determined from local measurements.

Ainsworth, Nathan G [ORNL] [ORNL; Grijalva, Prof. Santiago [Georgia Institute of Technology, Atlanta] [Georgia Institute of Technology, Atlanta

2013-01-01T23:59:59.000Z

297

A model for correlating properties with molecular structure and its application to fuel/hydrocarbon processing  

SciTech Connect (OSTI)

Structural indices such as n (carbon number), z (hydrogen deficiency C{sub n}H{sub 2n+z}) and i (isomeric deviation from the normal compound) are defined to characterize the molecular structure in an unambiguous manner. The parameters are defined in a manner that results in complete orthogonality, one with any of the others. Classification of hydrocarbon compounds into z series yields a systematic change of property with molecular weight in a mathematically definable fashion. For pure compounds, molecular weight as a function of n and z is correlated with properties using regression techniques. Boiling point, density, freezing point, gravimetric and volumetric heat of combustion, heat of vaporization, heat capacity and viscosity were correlated for the z series of paraffins (2), cycloparaffins (0), alkyldecalins(-2), alkylbenzenes(-6), alkyltetralins(-8), and alkylnaphthalenes(-12). The equation form: P{sub z} = (a{sub z}m + b{sub z})/(m + c{sub z}) was found to fit well for all n and z values correlated. Isomeric structural effects may be expressed through an i parameter that quantifies the effects of methyl substituents, adjacency of bonds and symmetry of the molecule. Properties such as boiling point can be related to this parameter. Equations have been derived for properties of mixtures from pure compound data. A computer program for optimizing the composition of various components of fuel has been developed. Consideration has been given to the historic problem of accurate molecular weight measurements of mixtures. A procedure for calculating true molecular weights based on quantification of the thermodynamics of the associated state has been devised. Results suggest that conventional methods based on VPO may be highly erroneous.

Devineni, A.V.P.

1989-01-01T23:59:59.000Z

298

Block-structured adaptive meshes and reduced grids for atmospheric general circulation models  

Science Journals Connector (OSTI)

...semi-Lagrangian shallow-water model on locally refined...Higgins1990Integration of the shallow water equations on the sphere...parallel adaptive mesh generator for atmospheric and oceanic simulationOcean...series to the shallow-water equations on sphereJ...

2009-01-01T23:59:59.000Z

299

Modal modeling of the fluid-structure interaction associated with sloshing in a tapered conical tank  

E-Print Network [OSTI]

tank I. Gavrilyuk1, M. Hermann2, I. Lukovsky3, O. Solodun3, A. Timokha3 1University of Cooperative conical tank, we derive a multimodal model describing the forced liquid motions and associated tower with a conical elevated tank. c Gavrilyuk, Hermann, Lukovsky, Solodun, Timokha key words: Sloshing

300

The Impact of Horizontal Model Grid Resolution on the Boundary Layer Structure over an Idealized Valley  

Science Journals Connector (OSTI)

The role of horizontal model grid resolution on the development of the daytime boundary layer over mountainous terrain is studied. A simple idealized valley topography with a cross-valley width of 20 km, a valley depth of 1.5 km, and a constant ...

Johannes S. Wagner; Alexander Gohm; Mathias W. Rotach

2014-09-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Complexity of Structure Mapping in Human Analogical Reasoning: A PDP Model  

E-Print Network [OSTI]

-water flow, and atom-solar system, while remaining within capacity limitations. Introduction The growth to incorporate psychologically realistic processing capacity limitations. Capacity is defined in terms are superimposed. Based on empirical evidence of capacity limitations, the model is limited to processing one

Wilson, Bill

302

Seismic Modelling of the Earth's Large-Scale Three-Dimensional Structure  

Science Journals Connector (OSTI)

4 July 1989 research-article Seismic Modelling of the Earth's Large-Scale...article we describe several methods of seismic inversion and intercompare the resulting...is that the magnitude of the observed seismic anomalies is of the order expected in...

1989-01-01T23:59:59.000Z

303

Fifteen observations on the structure of energy-minimizing gaits in many simple biped models  

Science Journals Connector (OSTI)

...Cornell ranger: energy-optimal control...complex analysis. New York, NY: McGraw-Hill...walking model with no energy cost. 61 McGeer...Optimal control. New York, NY: McGraw Hill...Metabolic and mechanical energy costs of reducing...

2011-01-01T23:59:59.000Z

304

MODELLING OF CONCRETE STRUCTURES AFFECTED BY INTERNAL SWELLING REACTIONS: COUPLINGS BETWEEN  

E-Print Network [OSTI]

, France Abstract Alkali Aggregate Reaction (AAR) and Delayed Ettringite Formation (DEF) cause expansion Ettringite Formation, Modelling, Coupling 1. INTRODUCTION Alkali Aggregate Reaction (AAR) and Delayed Ettringite Formation (DEF) are both Internal Swelling Processes (ISP) that can affect concrete. In the first

Paris-Sud XI, Université de

305

Block-structured adaptive meshes and reduced grids for atmospheric general circulation models  

Science Journals Connector (OSTI)

...grids are widely used for local weather predictions and...Research Forecasting Model WRF (Skamarock et al...small time steps if high wind speeds are present in...m and (c) meridional wind v (m1) at day 10 (McDonald...the advanced research WRF Version 2National Center...

2009-01-01T23:59:59.000Z

306

Towards utilizing repeating structures for constant time compilation of large Modelica models  

Science Journals Connector (OSTI)

Modelica is a language for modeling and simulating complex physical systems. A Modelica compiler generates a differential-algebraic equation (DAE) system from Modelica source code. The physical system is simulated by solving the DAE numerically. Before ... Keywords: Modelica, differential-algebraic equations, index reduction, matching theory, pantelides algorithm

Matthias Arzt, Volker Waurich, Jörg Wensch

2014-10-01T23:59:59.000Z

307

Spherically symmeteric dark energy structure in the context of Chaplygin gas model  

E-Print Network [OSTI]

Spherically symmetric dark energy structures are investigated in the framework of a generalized Chaplygin gas (GCG), which has an equation of state of the form $P = - A/\\rho^{\\alpha}} $. We also study these in a modified GCG equation of state, which includes a matter term, i.e. $P = \\sigma^{2} \\rho - A/\\rho^{\\alpha}$. The results of the latter are then compared with some observational data on low-surface-brightness galaxies which are supposed to be dominated by dark matter.

Abiy G. Tekola

2007-06-06T23:59:59.000Z

308

Exploration and Modeling of Structural changes in Waste Glass Under Corrosion  

SciTech Connect (OSTI)

Vitrification is currently the world-wide treatment of choice for the disposition of high-level nuclear wastes. In glasses, radionuclides are atomistically bonded into the solid, resulting in a highly durable product, with borosilicate glasses exhibiting particularly excellent durability in water. Considering that waste glass is designed to retain the radionuclides within the waste form for long periods, it is important to understand the long-term stability of these materials when they react in the environment, especially in the presence of water. Based on a number of previous studies, there is general consensus regarding the mechanisms controlling the initial rate of nuclear waste glass dissolution. Agreement regarding the cause of the observed decrease in dissolution rate at extended times, however, has been elusive. Two general models have been proposed to explain this behavior, and it has been concluded that both concepts are valid and must be taken into account when considering the decrease in dissolution rate. Furthermore, other processes such as water diffusion, ion exchange, and precipitation of mineral phases onto the glass surface may occur in parallel with dissolution of the glass and can influence long-term performance. Our proposed research will address these issues through a combination of aqueous-phase dissolution/reaction experiments and probing of the resulting surface layers with state-of-the-art analytical methods. These methods include solid-state nuclear magnetic resonance (SSNMR) and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The resulting datasets will then be coupled with computational chemistry and reaction-rate modeling to address the most persistent uncertainties in the understanding of glass corrosion, which indeed have limited the performance of the best corrosion models to date. With an improved understanding of corrosion mechanisms, models can be developed and improved that, while still conservative, take advantage of the inherent durability of the waste form to enable secure repositories to be engineered with a much higher density of waste disposition. We propose the synthesis, corrosion, and characterization of two sets of glass samples— containing approximately 8 single-component oxides each—as models for corrosion studies of more complicated glass systems (which can contain in excess of 25 single-component ingredients). Powdered samples and millimeter- sized coupons of these simpler glasses will be corroded in solutions that begin at circumneutral pH, but are known to increase in alkalinity as corrosion proceeds and saturation in silica species is approached. Through carefully selected isotopic substitutions with nuclides that are readily detected with SSNMR and TOF-SIMS methods, we will be able to follow the diffusion of atoms into and out of the reacted surface layers of these glasses and provide new data for testing with existing reaction models. The models can then be further extended or updated to take our new data into account, allowing the existing long-term glass corrosion models to more accurately reflect the extraordinary durability of these systems. With improved models, a significant opportunity exists to better utilize the storage volume of any geologic repository.

Pantano, Carlos; Ryan, Joseph; Strachan, Denis

2013-11-10T23:59:59.000Z

309

Protein structure and hydration probed by SANS and osmotic stress  

SciTech Connect (OSTI)

Interactions governing protein folding, stability, recognition, and activity are mediated by hydration. Here, we use small-angle neutron scattering coupled with osmotic stress to investigate the hydration of two proteins, lysozyme and guanylate kinase (GK), in the presence of solutes. By taking advantage of the neutron contrast variation that occurs upon addition of these solutes, the number of protein-associated (solute-excluded) water molecules can be estimated from changes in both the zero-angle scattering intensity and the radius of gyration. Poly(ethylene glycol) exclusion varies with molecular weight. This sensitivity can be exploited to probe structural features such as the large internal GK cavity. For GK, small-angle neutron scattering is complemented by isothermal titration calorimetry with osmoticstress to also measure hydration changes accompanying ligand binding. These results provide a framework for studying other biomolecular systems and assemblies using neutron scattering together with osmotic stress.

Rau, Dr. Donald [National Institutes of Health

2008-01-01T23:59:59.000Z

310

Structured Mathematical Modeling, Bifurcation, and Simulation for the Bioethanol Fermentation Process Using Zymomonas mobilis  

Science Journals Connector (OSTI)

§ Basic Engineering Sciences Deptartment, Menoufia University, Egypt ... In addition, ethanol is a biodegradable fuel and does not produce unhealthy emissions like gasoline and other classical fuels and can be produced from renewable raw materials (RRMs) such as lignoceluolisic biomass. ... From experimental observations of the production of ethanol using Z. mobiliz,(17, 20) a mathematical model can be proposed where substrate is consumed in terms of ethanol as a product and energy by living cells at the rate of ?v. ...

Ibrahim Hassan Mustafa; Ali Elkamel; Ali Lohi; Gamal Ibrahim; Said Salah Eldin Hamed Elnashaie

2014-02-28T23:59:59.000Z

311

Small-angle neutron scattering study of structure and interaction during salt-induced liquid-liquid phase transition in protein solutions  

Science Journals Connector (OSTI)

The liquid-liquid phase transition (LLPT) in aqueous salt solutions of lysozyme protein has been studied by small-angle neutron scattering. Measurements have been carried out on fixed protein concentration with varying salt concentration approaching LLPT. The data are fitted considering protein interaction by the two Yukawa (2Y) potential which combines short-range attraction and long-range repulsion. We show that LLPT arises because of enhancement of non-DLVO (Derjaguin-Landau-Verwey-Overbeek) short-range attraction without any conformational structural change of the protein. The salt concentration required for LLPT as well as corresponding short-range attraction decreases significantly with increase in protein concentration.

A. J. Chinchalikar; V. K. Aswal; J. Kohlbrecher; A. G. Wagh

2013-06-18T23:59:59.000Z

312

Risk assessment of an oxygen-enhanced combustor using a structural model based on the FMEA and fuzzy fault tree  

Science Journals Connector (OSTI)

Abstract The oxygen-enhanced combustor has the advantages of high burning efficiency and low emissions. However, it should not be promoted for industrial use until its reliability and safety have been fully recognized. A new methodology is proposed to assess the risk of an oxygen-enhanced combustor using a structural model based on the FMEA and fuzzy fault tree. In addition, it is applied to a selected pilot semi-industrial combustor. To identify the hazard source comprehensively, the pilot is divided into four subsystems: the combustor subsystem, feed subsystem, ignition subsystem and exhaust subsystem. According to the operational parameters of flow (flow rate, temperature and pressure) and the component functions in different subsystems, the cause and effect matrix can be built using the structural model, and the relationship between the operational parameters and the effects of the change for the operational parameters on the system can be presented. Based on the results of cause and effect matrix, the FMEA can be built to describe the failed models and accident scenarios of the pilot. The main accident forms include leakage, injury, fire and explosion. Accordingly, with the severity and probability analysis of different accident forms, the fire and explosion accidents should be further accessed quantitatively using the fuzzy fault tree analysis. The fault trees can be obtained in accordance with the FMEA, and the qualitative assessments of the basic events can be collected by using expert scoring. A hybrid approach for the fuzzy set theory and weight analysis is investigated to quantify the occurrence probability of basic events. Then, the importance analysis of the fault trees, including the hazard importance of basic events and the cut set importance, is performed to help determine the weak links of the fire and explosion trees. Finally, some of the most effective measures are presented to improve the reliability and safety of the combustion system.

Zhen Chen; Xiaona Wu; Jianguo Qin

2014-01-01T23:59:59.000Z

313

Phase structure of cold magnetized quark matter within the SU(3) NJL model  

E-Print Network [OSTI]

The possible different phases of cold quark matter in the presence of a finite magnetic field and chemical potential are obtained within the SU(3) NJL model for two parameter sets often used in the literature. Although the general pattern is the same in both cases, the number of intermediate phases is parameter dependent. The chiral susceptibilities, as usually defined, are different not only for the s-quark as compared with the two light quarks, but also for the u and d-quarks, yielding non identical crossover lines for the light quark sector.

A. G. Grunfeld; D. P. Menezes; M. B. Pinto; N. N. Scoccola

2014-02-19T23:59:59.000Z

314

MOCHA: A Model Checking Tool that Exploits Design Structure R. Alur y L. de Alfaro \\Lambda R. Grosu z T.A. Henzinger \\Lambda M. Kang y R.  

E-Print Network [OSTI]

­level, partial system descrip­ tions, rapid prototyping, and simulation. As an analysis lan­ guage it allowsMOCHA: A Model Checking Tool that Exploits Design Structure R. Alur y L. de Alfaro \\Lambda R. Grosu of Computer Science, State University of New York, Stony Brook 1 INTRODUCTION Model checking is emerging

Alur, Rajeev

315

THE STRUCTURAL CHEMISTRY OF MOLYBDENUM IN MODEL HIGH LEVEL NUCLEAR WASTE GLASSES, INVESTIGATED BY MO K-EDGE X-RAY ABSORPTION  

E-Print Network [OSTI]

THE STRUCTURAL CHEMISTRY OF MOLYBDENUM IN MODEL HIGH LEVEL NUCLEAR WASTE GLASSES, INVESTIGATED of molybdenum in model UK high level nuclear waste glasses was investigated by X-ray Absorption Spectroscopy (XAS). Molybdenum K-edge XAS data were acquired from several inactive simulant high level nuclear waste

Sheffield, University of

316

A quantitative conduction model for a low-resistance nonalloyed ohmic contact structure utilizing low-temperature-grown GaAs  

E-Print Network [OSTI]

A quantitative conduction model for a low-resistance nonalloyed ohmic contact structure utilizing properties of this material. The specific contact resistance is then calculated using an analytic expression for tunneling conduction through an equivalent uniformly doped Schottky barrier. The model has been used to fit

Woodall, Jerry M.

317

The effects of individual differences on e-learning users’ behaviour in developing countries: A structural equation model  

Science Journals Connector (OSTI)

Abstract The main objective of our study is to (1) empirically investigate the factors that affect the acceptance and use of e-learning in Lebanon, and (2) investigate the role of a set of individual differences as moderators (e.g., age, gender, experience, educational level) in an extended Technology Acceptance Model (TAM). A quantitative methodology approach was adopted in this study. To test the hypothesized research model, data was collected from 569 undergraduate and postgraduate students studying in Lebanon via questionnaire. The collected data were analysed using Structural Equation Modeling (SEM) technique based on AMOS methods in conjunction with multi-group analysis. The result revealed that perceived usefulness (PU), perceived ease of use (PEOU), subjective norms (SN) and Quality of Work Life (QWL) positively affect students’ behavioural intention (BI). We also found that experience moderates the relationship between PEOU, PU and SN on e-learning use intention, and that age difference moderates the effects of PEOU, SN and QWL on BI. In addition, educational level moderates the effects of PEOU, SN on BI, and gender moderates the effects of PU, SN and QWL on BI. Contrary to expectations, a moderating role of age on the relationship between PU and BI was not found. Similarly, gender was not found to affect the relationship between PEOU and BI, and educational level did not moderate the relationship between PU or QWL and BI. In light of these findings, implications to both theory and practice are discussed.

Ali Tarhini; Kate Hone; Xiaohui Liu

2014-01-01T23:59:59.000Z

318

Rapid Loss Modeling of Death and Downtime Caused By Earthquake Induced Damage to Structures  

E-Print Network [OSTI]

). Figure 2.1(b) thus presents straight line relationship in log-log space for IM and EDP in the form of drift ?. The relationship governing the four-step model and which gives mutual relation between four graphs is (Mander and Sircar 2009): g1838g1838g...3005g3003g3006 = g3628 ? ?g3005g3003g3006 g3628 g3030 = g3628 g1845g3028g1845g3028 g3005g3003g3006 g3628 g3029g3030 = g3628 g1858g3028g1858g3005g3003g3006 g3628 g3029g3030g2879g3038 (2.1) where fa = annual frequency; Sa = spectral acceleration...

Ghorawat, Sandeep

2012-07-16T23:59:59.000Z

319

Probabilistic modeling of the corrosion of steel structures in marine water-development works  

SciTech Connect (OSTI)

Considering that corrosion takes place as a random process over time, a a probabilistic approach was utilized in this paper. The corrosion of metallic sheet piling employed in the fascia wall of a bulwerk is considered as an example. A stochastic model is constructed on the base of a modified Weibull distribution function with consideration of parameters of the corrosion process as a function of time. One of the factors defining the corrosion rate of the sheet piling is the degree of access of a section of the wall to the zone of variable water level, or the underwater zone. The type of corrosion-continuous or local-is another factor. The accuracy of corrosion prediction in the underwater zone is higher than that in the zone of variable water level.

Bekker, A. T.; Lyubimov, V. S.; Kovalenko, R. G.; Aleksandrov, A. V.

2011-09-15T23:59:59.000Z

320

Shell-Model Analysis of the Level Structure of Ar41  

Science Journals Connector (OSTI)

Levels of Ar41 experimentally observed up to excitation energy of 4.5 MeV are considered. Using experimental data from neighboring nuclei the positions of 40 odd-parity states are calculated in the framework of the shell model. Good agreement is obtained for the low-lying levels. Approximate treatment of the d322f722p32 and d322f722p12 configurations in addition to the d322f723 ground configuration gives a semi-quantitative account of all odd parity 3/2 and 1/2 levels up to 4.5 MeV. Many odd-parity levels with J>32 which were not yet found experimentally are predicted to be in this region.

Y. Shadmi and I. Talmi

1963-02-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Structure and thermodynamics of the primitive model electrolyte in a charged matrix: The evaluation of the Madden-Glandt approximation  

E-Print Network [OSTI]

We compared the results of the Madden-Glandt (MG) integral equation approximation for partly-quenched systems with the commonly accepted formalism of Given and Stell (GS). The system studied was a +1:-1 restricted primitive model (RPM) electrolyte confined in a quenched +1:-1 RPM matrix. A renormalization scheme was proposed for a set of MG replica Ornstein-Zernike equations. Long-ranged direct and total correlation functions, describing the interactions between the annealed electrolyte species within the same replicas and between the annealed and matrix particles, appeared to be the same for MG and GS approach. Both versions of the theory give very similar results for the structure and thermodynamics of an annealed subsystem. Differences between excess internal energy, excess chemical potential, and isothermal compressibility become pronounced only at high concentrations of matrix particles.

M. Lukši?; B. Hribar-Lee

2013-12-17T23:59:59.000Z

322

Stratigraphic and structural compartmentalization observed within a model turbidite reservoir, Pennsylvanian Upper Jackfork Formation, Hollywood Quarry, Arkansas  

SciTech Connect (OSTI)

Hollywood Quarry is a 600 x 375 x 150 ft. (200 x 125 x 50m) excavation which provides a window into lower Pennsylvanian Jackfork Formation turbidite stratal architecture along the crest of a faulted anticlinal fold. A variety of turbidite facies are present, including: (a) lenticular, channelized sandstones, pebbly sandstones, and conglomerates within shale, (b) laterally continuous, interbedded thin sandstones and shales, and (c) thicker, laterally continuous shales. The sandstone and shale layers we broken by several strike-slip and reverse faults, with vertical displacements of up to several feet. This combination of facies and structural elements has resulted in a highly compartmentalized stratigraphic interval, both horizontally and vertically, along the anticlinal flexure. The quarry can be considered analogous to a scaled-down turbidite reservoir. Outcrop gamma-ray logs, measured sections, a fault map, and cross sections provide a database which is analogous to what would be available for a subsurface reservoir. Thus, the quarry provides an ideal outdoor geologic and engineering {open_quote}workshop{close_quote} venue for visualizing the potential complexities of a combination structural-stratigraphic (turbidite) reservoir. Since all forms of compartmentalization are readily visible in the quarry, problems related to management of compartmentalized reservoirs can be discussed and analyzed first-hand while standing in the quarry, within this {open_quote}model reservoir{close_quotes}. These problems include: (a) the high degree of stratigraphic and structural complexity that may be encountered, even at close well spacings, (b) uncertainty in well log correlations and log-shape interpretations, (c) variations in volumetric calculations as a function of amount of data available, and (d) potential production problems associated with specific {open_quote}field{close_quote} development plans.

Slatt, R. [Colorado School of Mines, Golden, CO (United States); Jordan, D. [Arco International Oil and Gas Co., Plano, TX (United States); Stone, C. [Arkansas Geological Commission, Little Rock, AR (United States)] [and others

1995-08-01T23:59:59.000Z

323

Study of structure formation and reheating in the D3/D7 brane inflation model  

Science Journals Connector (OSTI)

We study the spectrum of cosmological fluctuations in the D3/D7 brane inflationary universe with particular attention to the parametric excitation of entropy modes during the reheating stage. The same tachyonic instability which renders reheating in this model very rapidly leads to an exponential growth of entropy fluctuations during the preheating stage which in turn may induce a large contribution to the large-scale curvature fluctuations. We take into account the effects of long wavelength quantum fluctuations in the matter fields. As part of this work, we perform an analytical analysis of the reheating process. We find that the initial stage of preheating proceeds by the tachyonic instability channel. An upper bound on the time it takes for the energy initially stored in the inflaton field to convert into fluctuations is obtained by neglecting the local fluctuations produced during the period of tachyonic decay and analyzing the decay of the residual homogeneous field oscillations, which proceeds by parametric resonance. We show that, in spite of the fact that the resonance is of the narrow-band type, it is sufficiently efficient to rapidly convert most of the energy of the background fields into matter fluctuations.

Robert H. Brandenberger; Keshav Dasgupta; Anne-Christine Davis

2008-10-02T23:59:59.000Z

324

On the invariance of structure-borne sound source mecha-In todays analytical models for the description of sources of structure-borne sound and  

E-Print Network [OSTI]

, the vibration activity of a set of structure-borne sound sources will be measured. The receiver structures study of vibrational power transmission and the measurement method 2 Numerical testing of the measurement method 3 Measurement of vibration activity of a set of sources on two different receiver

Berlin,Technische Universität

325

The structure and properties of a simple model mixture of amphiphilic molecules and ions at a solid surface  

SciTech Connect (OSTI)

We investigate microscopic structure, adsorption, and electric properties of a mixture that consists of amphiphilic molecules and charged hard spheres in contact with uncharged or charged solid surfaces. The amphiphilic molecules are modeled as spheres composed of attractive and repulsive parts. The electrolyte component of the mixture is considered in the framework of the restricted primitive model (RPM). The system is studied using a density functional theory that combines fundamental measure theory for hard sphere mixtures, weighted density approach for inhomogeneous charged hard spheres, and a mean-field approximation to describe anisotropic interactions. Our principal focus is in exploring the effects brought by the presence of ions on the distribution of amphiphilic particles at the wall, as well as the effects of amphiphilic molecules on the electric double layer formed at solid surface. In particular, we have found that under certain thermodynamic conditions a long-range translational and orientational order can develop. The presence of amphiphiles produces changes of the shape of the differential capacitance from symmetric or non-symmetric bell-like to camel-like. Moreover, for some systems the value of the potential of the zero charge is non-zero, in contrast to the RPM at a charged surface.

Pizio, O., E-mail: pizio@unam.mx [Instituto de Química, Universidad Nacional Autonoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México, D.F. (Mexico); Soko?owski, S., E-mail: stefan.sokolowski@gmail.com [Department for the Modeling of Physico-Chemical Processes, Maria Curie-Sk?odowska University, 20-031 Lublin (Poland); Soko?owska, Z. [Institute of Agrophysics, Polish Academy of Sciences, Do?wiadczalna 4, 20-290 Lublin (Poland)] [Institute of Agrophysics, Polish Academy of Sciences, Do?wiadczalna 4, 20-290 Lublin (Poland)

2014-05-07T23:59:59.000Z

326

Phase structure of a generalized Nambu Jona-Lasinio model with Wilson fermions in the mean field or large $N$-expansion  

E-Print Network [OSTI]

We analyze the vacuum structure of a generalized lattice Nambu--Jona-Lasinio model with two flavors of Wilson fermions, such that its continuum action is the most general four-fermion action with 'trivial' color interactions, and having a $SU(2)_V x SU(2)_A$ symmetry in the chiral limit. The phase structure of this model in the space of the two four-fermion couplings shows, in addition to the standard Aoki phases, new phases with $ != 0$, in close analogy to similar results recently suggested by some of us for lattice QCD with two degenerate Wilson fermions. This result shows how the phase structure of an effective model for low energy QCD cannot be entirely understood from Wilson Chiral Perturbation Theory, based on the standard QCD chiral effective Lagrangian approach.

V. Azcoiti; G. Di Carlo; E. Follana; M. Giordano; A. Vaquero

2013-05-08T23:59:59.000Z

327

De novo protein crystal structure determination from X-ray free-electron laser data  

SciTech Connect (OSTI)

Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

Barends, Thomas, R.M.

2013-11-25T23:59:59.000Z

328

De novo protein crystal structure determination from X-ray free-electron laser data  

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

Barends, Thomas, R.M.

329

Experiences with object-oriented and equation based modeling of a floating support structure for wind turbines in modelica  

Science Journals Connector (OSTI)

A floating substructure for wind turbines is modeled using the object-oriented modeling language Modelica in a coupled simulation environment. The equation-based modeling facilitates the implementation for engineers due to declarative model descriptions ...

Matthias Brommundt; Michael Muskulus; Mareike Strach; Michael Strobel; Fabian Vorpahl

2012-12-01T23:59:59.000Z

330

Interpretation and mathematical modeling of temporal changes of temperature observed in borehole Yaxcopoil-1 within the Chicxulub impact structure, Mexico  

Science Journals Connector (OSTI)

Summary Geothermal research of the Chicxulub impact structure on the Yucatan Peninsula, Mexico, included repeated temperature logs following 0.3–0.8, 15, 24, 34 and 50 months after shut-in of drilling operations at the 1.5 km deep Yaxcopoil-1 borehole. A gradual distortion of the linear temperature profile by a cold wave propagating downward from 145 m to 317 m was detected within the observational period of 49 months (March 2002–April 2006). The amplitude of the cold wave was increasing with depth and time in the range of 0.8–1.6 °C. As an explanation of this unusual phenomenon, the hypothesis of downward migration of a large volume of drilling mud, reported lost during drilling within the overlying and cooler highly porous and permeable karstic rocks, has been proposed. The thermal effects of the migrating fluid have been evaluated by solving numerically the heat conduction–convection equation in appropriate geothermal models. The best coincidence between the observed data and the simulations was yielded by the model of the drilling mud migrating as a large body. Parameters of this model are constrained by the measured temperature logs relatively tightly: (i) the vertical extent of the downward migrating fluid body is about 5–10 m, possibly increasing within the observational period of 49 months by a factor of 2; (ii) the horizontal extent of the body must be at least 15–20 m, i.e. by order(s) of magnitude larger than the diameter of the borehole; (iii) the average speed of the migration is about 5 metres per month and (iv) the fluid must migrate through a highly porous rock (80% porosity or more). This high porosity, which is necessary for the model to fit the observed data, and the observed relatively stable velocity of the migration indicate the existence of a well-developed system of interconnected cavities down to more than 300 m about 150 m more than the deepest cave system known in Yucatan yet.

Jan Šafanda; Helmut Wilhelm; Philipp Heidinger; Vladimír ?ermák

2009-01-01T23:59:59.000Z

331

Motivations Modeling Social Structure  

E-Print Network [OSTI]

methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg and Muldoon) Maybe other things can maintain Diversity Other Options Others advocate methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg Diversity Other Options Others advocate methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg

Zollman, Kevin

332

Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling  

E-Print Network [OSTI]

High-resolution structures of viruses have made important contributions to modern structural biology. Bacteriophages, the most diverse and abundant organisms on earth, replicate and infect all bacteria and archaea, making ...

Baker, Matthew L.

333

A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors  

SciTech Connect (OSTI)

GspB is a serine-rich repeat (SRR) adhesin of Streptococcus gordonii that mediates binding of this organism to human platelets via its interaction with sialyl-T antigen on the receptor GPIb{alpha}. This interaction appears to be a major virulence determinant in the pathogenesis of infective endocarditis. To address the mechanism by which GspB recognizes its carbohydrate ligand, we determined the high-resolution x-ray crystal structure of the GspB binding region (GspB{sub BR}), both alone and in complex with a disaccharide precursor to sialyl-T antigen. Analysis of the GspB{sub BR} structure revealed that it is comprised of three independently folded subdomains or modules: (1) an Ig-fold resembling a CnaA domain from prokaryotic pathogens; (2) a second Ig-fold resembling the binding region of mammalian Siglecs; (3) a subdomain of unique fold. The disaccharide was found to bind in a pocket within the Siglec subdomain, but at a site distinct from that observed in mammalian Siglecs. Confirming the biological relevance of this binding pocket, we produced three isogenic variants of S. gordonii, each containing a single point mutation of a residue lining this binding pocket. These variants have reduced binding to carbohydrates of GPIb{alpha}. Further examination of purified GspB{sub BR}-R484E showed reduced binding to sialyl-T antigen while S. gordonii harboring this mutation did not efficiently bind platelets and showed a significant reduction in virulence, as measured by an animal model of endocarditis. Analysis of other SRR proteins revealed that the predicted binding regions of these adhesins also had a modular organization, with those known to bind carbohydrate receptors having modules homologous to the Siglec and Unique subdomains of GspBBR. This suggests that the binding specificity of the SRR family of adhesins is determined by the type and organization of discrete modules within the binding domains, which may affect the tropism of organisms for different tissues.

Pyburn, Tasia M.; Bensing, Barbara A.; Xiong, Yan Q.; Melancon, Bruce J.; Tomasiak, Thomas M.; Ward, Nicholas J.; Yankovskaya, Victoria; Oliver, Kevin M.; Cecchini, Gary; Sulikowski, Gary A.; Tyska, Matthew J.; Sullam, Paul M.; Iverson, T.M. (VA); (UCLA); (Vanderbilt); (UCSF)

2014-10-02T23:59:59.000Z

334

Analytical descriptions of the band structure of direct-band-gap zinc-blende-structure semiconductors in the k?p Kane model  

Science Journals Connector (OSTI)

In the framework of the well-known k?p Kane band theory, accurate analytical approximations of conduction- and valence-band dispersion of direct-band-gap zinc-blende-structure semiconductors are derived when the spin-orbit-splitting energy does not exceed the band-gap energy. These approximations include the interactions with the remote bands. The expressions of the eigenfunctions are also obtained. The present analysis elucidates and unifies previous analytical band descriptions.

H.-J. Drouhin and J. Peretti

1991-10-15T23:59:59.000Z

335

Individual heterogeneity in life history processes: Estimation and applications of demographic models to stage-structured arthropod populations  

E-Print Network [OSTI]

was used for an SEIR model of Ebola transmission, with 42011), an SEIR model for Ebola transmission (McKinley et

Scranton, Katherine

2012-01-01T23:59:59.000Z

336

Protein Structure Prediction and Structural Genomics  

Science Journals Connector (OSTI)

...large-scale modeling calculations have...accuracy by comparative modeling. Even with structural...as a result of a rapid increase in alignment...structures will allow the modeling of a very much larger...development of molecular simulation methods, attempts...macromolecules (40). Automated methods for deducing...

David Baker; Andrej Sali

2001-10-05T23:59:59.000Z

337

The crystal structure of the conserved \\{GTPase\\} of SRP54 from the archaeon Acidianus ambivalens and its comparison with related structures suggests a model for the SRP–SRP receptor complex  

Science Journals Connector (OSTI)

Background: Protein targeting to the endoplasmic reticulum in eukaryotes and to the cell membrane in prokaryotes is mediated by the signal recognition particle (SRP) and its receptor (SR). Both contain conserved \\{GTPase\\} domains in the signal-peptide-binding proteins (SRP54 and Ffh) and the SR proteins (SR? and FtsY). These \\{GTPases\\} are involved in the regulation of protein targeting. Most studies so far have focussed on the SRP machinery of mammals and bacteria, leaving the SRP system of archaea less well understood. Results: We report the crystal structure of the conserved \\{GTPase\\} (NG-Ffh) from the thermophilic archaeon Acidianus ambivalens at 2.0 Å resolution and of the Thr112?Ala mutant, which is inactive in GTP hydrolysis. This is the first structure of an SRP component from an archaeon and allows for a detailed comparison with related structures from Escherichia coli and thermophilic bacteria. In particular, differences in the conserved consensus regions for nucleotide binding and the subdomain interfaces are observed, which provide information about the regulation of the GTPase. These interactions allow us to propose a common signalling mechanism for the SRP–SR system. Conclusions: The overall structure of SRP-GTPases is well conserved between bacteria and archaea, which indicates strong similarities in the regulation of the SRP-targeting pathway. Surprisingly, structure comparisons identified a homodimeric ATP-binding protein as the closest relative. A heterodimer model for the SRP–SR interaction is presented.

Guillermo Montoya; Kai te Kaat; Ralph Moll; Günter Schäfer; Irmgard Sinning

2000-01-01T23:59:59.000Z

338

Superlattice Structure and Precipitates in O+ and Zr+ Ion Coimplanted SrTiO3: a Model Waste Form for 90Sr  

SciTech Connect (OSTI)

We investigate strontium titanate as a model waste form for 90Sr. Implantation with O+ and Zr+ ions, followed by annealing at 1423 K, was performed to simulate 90Sr to 90Zr decays. At low Zr concentrations, we observe formation of a ZrO-Sr superlattice structure. Ab initio calculations indicate that this atomic configuration is energetically favorable. At higher Zr concentrations, we observe precipitates of ZrO2 with a coherently strained interface, or a monolayer of disordered interfacial structure. Potential candidacy of 90SrTiO3 as a waste form for permanent disposal of 90Sr is discussed.

Jiang, Weilin; Van Ginhoven, Renee M.; Kovarik, Libor; Jaffe, John E.; Arey, Bruce W.

2012-07-13T23:59:59.000Z

339

Modeling lidar waveforms with time-dependent stochastic radiative transfer theory for remote estimations of forest structure  

E-Print Network [OSTI]

with field data from two conifer forest stands (southern old jack pine and southern old black spruce estimations of forest structure Svetlana Y. Kotchenova,1 Nikolay V. Shabanov,1 Yuri Knyazikhin,1 Anthony B (lidars) have demonstrated a potential for accurate remote sensing of forest biomass and structure

Goldberg, Bennett

340

Generating Structurally Complex Test Cases by Data Mutation: A Case Study of Testing an Automated Modelling Tool  

E-Print Network [OSTI]

- 1 - Generating Structurally Complex Test Cases by Data Mutation: A Case Study of Testing Brookes University, Oxford OX33 1HX, UK Email: hzhu@brookes.ac.uk ABSTRACT Generation of adequate test cases is difficult and expensive, especially for testing software systems whose input is structurally

Zhu, Hong

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Achieving Structural and Composable Modeling of Complex Systems David I. August Sharad Malik Li-Shiuan Peh  

E-Print Network [OSTI]

modeling system called the Liberty Simula- tion Environment (LSE). LSE automatically constructs sim for each project. Models of the same single component may be written many times to fit each simulation

342

Electrical-Thermal-Structural Coupled Finite Element Model of High Temperature Superconductor for Resistive Type Fault Current Limiters  

Science Journals Connector (OSTI)

A multi-physics finite element model of high-temperature superconductors (HTS) will be presented in this article. The electrical-thermal model is mainly based on Maxwell’s equation and basic heat transfer equa...

J. Sheng; Y. Chen; B. Lin; L. Ying; Z. Jin…

2014-06-01T23:59:59.000Z

343

Fluid structure interaction modelling for the vibration of tube bundles, part I: analysis of the fluid flow in a tube bundle  

SciTech Connect (OSTI)

It is well known that a fluid may strongly influence the dynamic behaviour of a structure. Many different physical phenomena may take place, depending on the conditions: fluid flow, fluid at rest, little or high displacements of the structure. Inertial effects can take place, with lower vibration frequencies, dissipative effects also, with damping, instabilities due to the fluid flow (Fluid Induced Vibration). In this last case the structure is excited by the fluid. Tube bundles structures are very common in the nuclear industry. The reactor cores and the steam generators are both structures immersed in a fluid which may be submitted to a seismic excitation or an impact. In this case the structure moves under an external excitation, and the movement is influence by the fluid. The main point in such system is that the geometry is complex, and could lead to very huge sizes for a numerical analysis. Homogenization models have been developed based on the Euler equations for the fluid. Only inertial effects are taken into account. A next step in the modelling is to build models based on the homogenization of the Navier-Stokes equations. The papers presents results on an important step in the development of such model: the analysis of the fluid flow in a oscillating tube bundle. The analysis are made from the results of simulations based on the Navier-Stokes equations for the fluid. Comparisons are made with the case of the oscillations of a single tube, for which a lot of results are available in the literature. Different fluid flow pattern may be found, depending in the Reynolds number (related to the velocity of the bundle) and the Keulegan Carpenter number (related to the displacement of the bundle). A special attention is paid to the quantification of the inertial and dissipative effects, and to the forces exchanges between the bundle and the fluid. The results of such analysis will be used in the building of models based on the homogenization of the Navier-Stokes equations for the fluid. (authors)

Desbonnets, Quentin; Broc, Daniel [CEA, Lab Etudes Mecan Sism, DEN, SEMT, DM2S, F-91191 Gif Sur Yvette, (France)

2012-07-01T23:59:59.000Z

344

MODELS OF THE INTRACLUSTER MEDIUM WITH HEATING AND COOLING: EXPLAINING THE GLOBAL AND STRUCTURAL X-RAY PROPERTIES OF CLUSTERS  

E-Print Network [OSTI]

cooling or entropy injection (and/or redistribution) plays a central role in mediating the thermal in excess of observationally estab- lished limits. On the other hand, the simplest entropy-injection models consider models that marry radiative cooling with entropy injection, and confront model predictions

Balogh, Michael L.

345

A numerical soil-water-balance (SWB) model was used to estimate groundwater recharge in the Williston and Powder River structural basins in the Northern Great Plains.  

E-Print Network [OSTI]

in the Williston and Powder River structural basins in the Northern Great Plains. The SWB model consisted of 1 km2 to 2011. Average calculated recharge in the Williston basin was 0.190 in/yr (1,281 ft3 /sec) and ranged.1 percent of precipitation in the Williston basin. Average recharge in the Powder River basin was 0.136 in

Torgersen, Christian

346

Advanced Modeling and Evaluation of the Response of Base-Isolated Nuclear Facility Structures to Vertical Earthquake Excitation  

E-Print Network [OSTI]

Structures . iii 3 Nuclear Power Plants 3.1 Nuclear FacilityKashiwazaki-Kariwa Nuclear Power Plant 3.3.1 2004 Ch¯ uetsuKashiwazaki-Kariwa nuclear power plant in response to the

Keldrauk, Eric Scott

2012-01-01T23:59:59.000Z

347

Offshore structures  

Science Journals Connector (OSTI)

... SIR,-We have had some experience with modelling offshore structures in the laboratory, and wish to call attention to the need for better ... have already occurred have been serious enough, but the failure of one of the giant rigs or platforms now being planned would be a catastrophe of unprecedented proportions.

CHESLEY J. POSEY; RICHARD SILVESTER

1975-11-20T23:59:59.000Z

348

Long-Term Succession of Structure and Diversity of a Biofilm Formed in a Model Drinking Water Distribution System  

E-Print Network [OSTI]

formation in a model drinking water distribution system. J.and activity in drinking water distribution networks underbacterial species from drinking water biofilms and proof of

Martiny, A. C; Jorgensen, T. M; Albrechtsen, H.-J.; Arvin, E.; Molin, S.

2003-01-01T23:59:59.000Z

349

Protein Structure Prediction and Structural Genomics  

E-Print Network [OSTI]

sequencing projects are producing linear amino acid sequences, but full understanding of the biological role, building a model, and assessing the model (1). The templates for modeling may be found by sequence folds. Each sequence-structure alignment is as- sessed by the energy of a corresponding coarse model

Batzoglou, Serafim

350

Model approach to solving the inverse problem of X-ray reflectometry and its application to the study of the internal structure of hafnium oxide films  

SciTech Connect (OSTI)

The key features of the inverse problem of X-ray reflectometry (i.e., the reconstruction of the depth profile of the dielectric constant using an experimental angular dependence of reflectivity) are discussed and essential factors leading to the ambiguity of its solution are analyzed. A simple approach to studying the internal structure of HfO{sub 2} films, which is based on the application of a physically reasonable model, is considered. The principles for constructing a film model and the criteria for choosing a minimal number of fitting parameters are discussed. It is shown that the ambiguity of the solution to the inverse problem is retained even for the simplest single-film models. Approaches allowing one to pick out the most realistic solution from several variants are discussed.

Volkov, Yu. O., E-mail: neko.crys@gmail.com; Kozhevnikov, I. V.; Roshchin, B. S. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Filatova, E. O. [St. Petersburg State University, Fock Institute of Physics (Russian Federation)] [St. Petersburg State University, Fock Institute of Physics (Russian Federation); Asadchikov, V. E. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

2013-01-15T23:59:59.000Z

351

A lattice approach to the conformal $\\OSp(2S+2|2S)$ supercoset sigma model. Part I: Algebraic structures in the spin chain. The Brauer algebra  

E-Print Network [OSTI]

We define and study a lattice model which we argue is in the universality class of the $OSp(2S+2|2S)$ supercoset sigma model for a large range of values of the coupling constant $g_\\sigma^2$. In this first paper, we analyze in details the symmetries of this lattice model, in particular the decomposition of the space of the quantum spin chain $V^{\\otimes L}$ as a bimodule over $OSp(2S+2|2S)$ and its commutant, the Brauer algebra $B_L(2)$. It turns out that $V^{\\otimes L}$ is a nonsemisimple module for both $OSp(2S+2|2S)$ and $B_L(2)$. The results are used in the companion paper to elucidate the structure of the (boundary) conformal field theory.

Candu, Constantin

2008-01-01T23:59:59.000Z

352

A lattice approach to the conformal $\\OSp(2S+2|2S)$ supercoset sigma model. Part I: Algebraic structures in the spin chain. The Brauer algebra  

E-Print Network [OSTI]

We define and study a lattice model which we argue is in the universality class of the $OSp(2S+2|2S)$ supercoset sigma model for a large range of values of the coupling constant $g_\\sigma^2$. In this first paper, we analyze in details the symmetries of this lattice model, in particular the decomposition of the space of the quantum spin chain $V^{\\otimes L}$ as a bimodule over $OSp(2S+2|2S)$ and its commutant, the Brauer algebra $B_L(2)$. It turns out that $V^{\\otimes L}$ is a nonsemisimple module for both $OSp(2S+2|2S)$ and $B_L(2)$. The results are used in the companion paper to elucidate the structure of the (boundary) conformal field theory.

Constantin Candu; Hubert Saleur

2008-01-02T23:59:59.000Z

353

A preliminary investigation of the structure of southern Yucca Flat, Massachusetts Mountain, and CP basin, Nevada Test Site, Nevada, based on geophysical modeling.  

SciTech Connect (OSTI)

New gravity and magnetic data collected in the vicinity of Massachusetts Mountain and CP basin (Nevada Test Site, NV) provides a more complex view of the structural relationships present in the vicinity of CP basin than previous geologic models, helps define the position and extent of structures in southern Yucca Flat and CP basin, and better constrains the configuration of the basement structure separating CP basin and Frenchman Flat. The density and gravity modeling indicates that CP basin is a shallow, oval-shaped basin which trends north-northeast and contains ~800 m of basin-filling rocks and sediment at its deepest point in the northeast. CP basin is separated from the deeper Frenchman Flat basin by a subsurface ridge that may represent a Tertiary erosion surface at the top of the Paleozoic strata. The magnetic modeling indicates that the Cane Spring fault appears to merge with faults in northwest Massachusetts Mountain, rather than cut through to Yucca Flat basin and that the basin is downed-dropped relative to Massachusetts Mountain. The magnetic modeling indicates volcanic units within Yucca Flat basin are down-dropped on the west and supports the interpretations of Phelps and KcKee (1999). The magnetic data indicate that the only faults that appear to be through-going from Yucca Flat into either Frenchman Flat or CP basin are the faults that bound the CP hogback. In general, the north-trending faults present along the length of Yucca Flat bend, merge, and disappear before reaching CP hogback and Massachusetts Mountain or French Peak.

Geoffrey A. Phelps; Leigh Justet; Barry C. Moring, and Carter W. Roberts

2006-03-17T23:59:59.000Z

354

Band structures and charge densities of KCl, NaF, and LiF obtained by the intersecting-spheres model  

Science Journals Connector (OSTI)

The self-consistent electronic structures of KCl, NaF, and LiF have been calculated by the intersecting-spheres model and the results were compared with band structures calculated by other methods using the approximation of the exchange potential adopted by us. While for KCl close agreement was found between the augmented-plane-wave non-muffin-tin results by De Cicco and the intersecting-spheres-model (ISM) band structure, in the case of LiF differences of even 2.5 eV were found between conduction bands calculated by the ISM and the corresponding levels determined by linear-combination-of-atomic-orbitals (LCAO) methods. This disagreement seems to be imputable to a lack of convergence occurring in the LCAO calculations. The Fourier components of the charge densities (scattering factors) were determined using the Kohn-Sham-Gáspár form of the exchange potential. The agreement of the calculated scattering factors with experiment is not much worse than that obtained by Hartree-Fock calculations.

S. Antoci and L. Mihich

1980-01-15T23:59:59.000Z

355

Quasiparticle band structure and density-functional theory: Single-particle excitations and band gaps in lattice models  

E-Print Network [OSTI]

ARTICLES Quasiparticle band structure and density-functional theory: Single-particle excitations-particle eigenvalues. Without rigorous basis even for the exact density-functional theory , these are often taken, eigenvalues obtained from density-functional theory DFT , and those from a corresponding LDA. Notable among

Hess, Daryl W.

356

Device model for pulsing in silicon p-i-n structures A. G. U. Perera and S. fvlatsik  

E-Print Network [OSTI]

and circuit parameters for the spontaneous firing patterns for silicon p-i-n structures at 4.2 K controlled effects associated with nonlinear dynamics in circuits containing silicon p-i-n diodes at 4.2 K under constant driving current. The circuits generate spiketrains and are qualitatively similar to neuron

Perera, A. G. Unil

357

Numerical simulation of detonation structures using a thermodynamically consistent and fully conservative reactive flow model for multi-component computations  

Science Journals Connector (OSTI)

...there have been many advances in detonation modelling...apparent in figure 7 c. Recent experimental investigation...support by the Natural Sciences and Engineering Research...mixtures. In 42nd AIAA Aerospace Science Meeting and Exhibit...

2009-01-01T23:59:59.000Z

358

Shake Table Test on the 1:30 Model Structure of a Large Cooling Tower for Fire Power Plant  

Science Journals Connector (OSTI)

For understanding the seismic behaviour of extra-large scale cooling tower with dimension of 220 meters high and 188 meters in diameter, the shake table tests for its’ 1:30 (length ratio) tower model were carr...

J. W. Dai; X. R. Weng; Y. Hu

2014-01-01T23:59:59.000Z

359

Dissecting Lysozyme by Single- Molecule Techniques  

E-Print Network [OSTI]

Experiments Determine Protein Folding Transition Path Times.P.G. Theory of protein folding: the energy landscapevarious aspects of protein folding have been examined via

Collins, Philip G

2013-01-01T23:59:59.000Z

360

Hierarchy of Simulation Models in Predicting Structure and Energetics of the Src SH2 Domain Binding to Tyrosyl Phosphopeptides  

Science Journals Connector (OSTI)

Gennady M. Verkhivker ,* Djamal Bouzida , Daniel K. Gehlhaar , Paul A. Rejto , Lana Schaffer , Sandra Arthurs , Anthony B. Colson , Stephan T. Freer , Veda Larson , Brock A. Luty , Tami Marrone , and Peter W. Rose ... (33)?Shakespeare, W. C.; Bohacek, R. S.; Azimioara, M. D.; Macek, K. J.; Luke, G. P.; Dalgarno, D. C.; Hatada, M. H.; Lu, X.; Violette, S. M.; Bartlett, C.; Sawyer, T. K. Structure-based Design of Novel Bicyclic Nonpeptide Inhibitors for the Src SH2 Domain. ...

Gennady M. Verkhivker; Djamal Bouzida; Daniel K. Gehlhaar; Paul A. Rejto; Lana Schaffer; Sandra Arthurs; Anthony B. Colson; Stephan T. Freer; Veda Larson; Brock A. Luty; Tami Marrone; Peter W. Rose

2001-11-09T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Electronic Structure of Multilayer Graphene  

Science Journals Connector (OSTI)

......Articles Electronic Structure of Multilayer Graphene Hongki Min *) Allan H. MacDonald Department...the electronic structure of multilayer graphene using a pi-orbital continuum model...electronic structure of arbitrarily stacked graphene multilayers consists of chiral pseudospin......

Hongki Min; Allan H. MacDonald

2008-06-01T23:59:59.000Z

362

The 13C-Pocket Structure in AGB Models: Constraints from Zirconium Isotope Abundances in Single Mainstream SiC Grains  

E-Print Network [OSTI]

We present postprocess AGB nucleosynthesis models with different $^{13}$C-pocket internal structures to better explain zirconium isotope measurements in mainstream presolar SiC grains by Nicolussi et al. (1997) and Barzyk et al. (2007). We show that higher-than-solar $^{92}$Zr/$^{94}$Zr ratios can be predicted by adopting a $^{13}$C-pocket with a flat $^{13}$C profile, instead of the previous decreasing-with-depth $^{13}$C profile. The improved agreement between grain data for zirconium isotopes and AGB models provides additional support for a recent proposal of a flat $^{13}$C profile based on barium isotopes in mainstream SiC grains by Liu et al. (2014).

Liu, Nan; Bisterzo, Sara; Davis, Andrew M; Savina, Michael R; Pellin, Michael J

2014-01-01T23:59:59.000Z

363

Modeling  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

a single-fluid diffuse interface model in the ALE-AMR hydrodynamics code to simulate surface tension effects. We show simula- tions and compare them to other surface tension...

364

Modeling  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

sion effects. We show the result of a test case, and compare it to the result without surface tension. The model describes droplet formation nicely. Application The ARRA-funded...

365

Comparative structural modeling and docking studies of uricase: Possible implication in enzyme supplementation therapy for hyperuricemic disorders  

Science Journals Connector (OSTI)

Uricase (EC 1.7.3.3, UC) catalyzes the oxidation of uric acid (UA) to more soluble allantoin thereby lowering plasma UA levels. In humans, when concentration of UA exceeds >7mg/dl, it leads to hyperuricemia, gout, nephrolithiasis and urolithiasis. A ... Keywords: Automated docking, Gout, Homology modeling, Regio-specificity of enzyme, Uricase

Supriya D. Beedkar; C. N. Khobragade; Ragini G. Bodade; Aruna S. Vinchurkar

2012-06-01T23:59:59.000Z

366

Analytical expressions of variability in ecosystem structure and function obtained from three-dimensional stochastic vegetation modelling  

Science Journals Connector (OSTI)

...temperature, T a, horizontal wind speed, U x , relative humidity...area for a biologically diverse system through a superposition of separate...Strahler, and CE Woodcock. 1995 A hybrid geometric optical-radiative...formulations for the partitioning of solar radiation in land surface models...

2013-01-01T23:59:59.000Z

367

Constraining the structure of the transition disk HD 135344B (SAO 206462) by simultaneous modeling of multi-wavelength gas and dust observations  

E-Print Network [OSTI]

HD 135344B is an accreting (pre-) transition disk which displays emission of warm CO extending tens of AU inside its 30 AU dust cavity. We employ the dust radiative transfer code MCFOST and the thermo-chemical code ProDiMo to derive the disk structure from the simultaneous modeling of the spectral energy distribution (SED), VLT/CRIRES CO P(10) 4.75 micron, Herschel/PACS [O I] 63 micron, Spitzer-IRS, and JCMT 12CO J=3-2 spectra, VLTI/PIONIER H-band visibilities, and constraints from (sub-)mm continuum interferometry and near-IR imaging. We found a disk model able to describe simultaneously the current observations. This disk has the following structure: (1) to reproduce the SED, the near-IR interferometry data, and the CO ro-vibrational emission, refractory grains (we suggest carbon) are present inside the silicate sublimation radius (0.08 100 to account for the 870 micron continuum upper limit and the CO P(10) line flux; (5) the gas/dust ratio at 30

Carmona, A; Thi, W F; Benisty, M; Ménard, F; Grady, C; Kamp, I; Woitke, P; Olofsson, J; Roberge, A; Brittain, S; Dûchene, G; Meeus, G; Martin-Zaïdi, C; Dent, B; Bouquin, J B Le; Berger, J P

2014-01-01T23:59:59.000Z

368

Vacuum models with a linear and a quadratic term in H: structure formation and number counts analysis  

E-Print Network [OSTI]

We focus on the class of cosmological models with a time-evolving vacuum energy density of the form $\\rho_\\Lambda=C_0+C_1 H+C_2 H^2$, where $H$ is the Hubble rate. Higher powers of $H$ could be important for the early inflationary epoch, but are irrelevant afterwards. We study these models at the background level and at the perturbations level, both at the linear and at the nonlinear regime. We find that those with $C_0=0$ are seriously hampered, as they are unable to fit simultaneously the current observational data on Hubble expansion and the linear growth rate of clustering. This is in contrast to the $C_0\

Adria Gomez-Valent; Joan Sola

2014-12-18T23:59:59.000Z

369

Modeling  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

ALE-AMR ALE-AMR code Wangyi Liu, John Bernard, Alex Friedman, Nathan Masters, Aaron Fisher, Velemir Mlaker, Alice Koniges, David Eder June 4, 2011 Abstract In this paper we describe an implementation of a single-fluid inter- face model in the ALE-AMR code to simulate surface tension effects. The model does not require explicit information on the physical state of the two phases. The only change to the existing fluid equations is an additional term in the stress tensor. We show results of applying the model to an expanding Al droplet surrounded by an Al vapor, where additional droplets are created. 1 Introduction The Neutralized Drift Compression Experiment II (NDCX II) is an induction accelerator planned for initial commissioning in 2012. The final design calls for a 3 MeV, Li+ ion beam, delivered in a bunch with characteristic pulse duration of 1 ns, and transverse dimension of order 1 mm. The

370

Geometry and Structural Properties for the Controls Advanced Research Turbine (CART) from Model Tuning: August 25, 2003--November 30, 2003  

SciTech Connect (OSTI)

The Controls Advanced Research Turbine (CART) is a modified Westinghouse WWG-0600 machine rated at 600 kW. It is located at the National Wind Technology Center (NWTC) in Boulder, Colorado, and has been installed to test new control schemes for power and load regulation. In its original configuration, the WWG-0600 uses a synchronous generator, fluid coupling, and hydraulic collective pitch actuation. However, the CART is fitted with an induction generator, rigid coupling, and individual electromechanical pitch actuators. The rotor runs upwind of the tower and consists of two blades and a teetering hub. In order to design advanced control schemes for the CART, representative computational models are essential.

Stol, K. A.

2004-09-01T23:59:59.000Z

371

Density of states of a semi-infinite rare-earth metal with magnetic structure: A simple model  

Science Journals Connector (OSTI)

Using a simple tight-binding model and the transfer matrix approach, we have calculated the spectral density of states (SDOS) of a rare-earth metal in the presence of a surface for different magnetic arrangements (such as ferromagnetic, antiferromagnetic, and conical orderings). The local density of states (LDOS) has also been calculated for some examples, integrating the SDOS over the Brillouin zone. The main effect observed deals with the absence of Van Hove's singularities in the surface LDOS, a fact that appears to be an intrinsic property of the surface. Finally the relaxation of the overlap parameters at the surface is discussed and some numerical examples are shown.

Bernardo Laks and G. G. Cabrera

1979-09-15T23:59:59.000Z

372

Nano-web structures constructed with a cellulose acetate/lithium chloride/polyethylene oxide hybrid: Modeling, fabrication and characterization  

Science Journals Connector (OSTI)

Abstract Electrospun nano-web structures (ENWSs) were successfully fabricated from ionized binary solution of celluloseMn30/polyethylene oxideMn200 (CA/PEO of 0.5–1.5). Final concentration of polymers was 12% (w/v) in the solution, and lithium chloride was used as ionizing agent. Response surface methodology (RSM) was applied to the optimize fabrication of ENWSs. Results of multiple linear regression analysis revealed that the solution properties and \\{ENWSs\\} morphology were strongly influenced by CA/PEO. An increase in PEO amount increased the viscosity which is a function of molecular weight, and as a result raised the entanglement of polymeric solution but decreased the surface tension that all support nanofibers fabrication. The size of nanofibers decreased with reducing PEO and LiCl concentration. Increasing the content of LiCl promoted the electrical conductivity (EC) value; however, junction zones were formed. The overall optimum region was found to be at combined level of 1.5% CA/PEO and 0.49% (w/v) LiCl.

Atefeh Broumand; Zahra Emam-Djomeh; Faramarz Khodaiyan; Sasan Mirzakhanlouei; Driush Davoodi; Ali A. Moosavi-Movahedi

2015-01-01T23:59:59.000Z

373

Structural health and prognostics management for offshore wind turbines : case studies of rotor fault and blade damage with initial O&M cost modeling.  

SciTech Connect (OSTI)

Operations and maintenance costs for offshore wind plants are significantly higher than the current costs for land-based (onshore) wind plants. One way to reduce these costs would be to implement a structural health and prognostic management (SHPM) system as part of a condition based maintenance paradigm with smart load management and utilize a state-based cost model to assess the economics associated with use of the SHPM system. To facilitate the development of such a system a multi-scale modeling approach developed in prior work is used to identify how the underlying physics of the system are affected by the presence of damage and faults, and how these changes manifest themselves in the operational response of a full turbine. This methodology was used to investigate two case studies: (1) the effects of rotor imbalance due to pitch error (aerodynamic imbalance) and mass imbalance and (2) disbond of the shear web; both on a 5-MW offshore wind turbine in the present report. Based on simulations of damage in the turbine model, the operational measurements that demonstrated the highest sensitivity to the damage/faults were the blade tip accelerations and local pitching moments for both imbalance and shear web disbond. The initial cost model provided a great deal of insight into the estimated savings in operations and maintenance costs due to the implementation of an effective SHPM system. The integration of the health monitoring information and O&M cost versus damage/fault severity information provides the initial steps to identify processes to reduce operations and maintenance costs for an offshore wind farm while increasing turbine availability, revenue, and overall profit.

Myrent, Noah J. [Purdue Center for Systems Integrity, Lafayette, IN; Kusnick, Joshua F. [Purdue Center for Systems Integrity, Lafayette, IN; Barrett, Natalie C. [Purdue Center for Systems Integrity, Lafayette, IN; Adams, Douglas E. [Purdue Center for Systems Integrity, Lafayette, IN; Griffith, Daniel Todd

2013-04-01T23:59:59.000Z

374

A structural model of anti-anti-[sigma];#963; inhibition by a two-component receiver domain: the PhyR stress response regulator  

SciTech Connect (OSTI)

PhyR is a hybrid stress regulator conserved in {alpha}-proteobacteria that contains an N-terminal {sigma}-like (SL) domain and a C-terminal receiver domain. Phosphorylation of the receiver domain is known to promote binding of the SL domain to an anti-{sigma} factor. PhyR thus functions as an anti-anti-{sigma} factor in its phosphorylated state. We present genetic evidence that Caulobacter crescentus PhyR is a phosphorylation-dependent stress regulator that functions in the same pathway as {sigma}{sup T} and its anti-{sigma} factor, NepR. Additionally, we report the X-ray crystal structure of PhyR at 1.25 {angstrom} resolution, which provides insight into the mechanism of anti-anti-{sigma} regulation. Direct intramolecular contact between the PhyR receiver and SL domains spans regions {sigma}{sub 2} and {sigma}{sub 4}, likely serving to stabilize the SL domain in a closed conformation. The molecular surface of the receiver domain contacting the SL domain is the structural equivalent of {alpha}4-{beta}5-{alpha}5, which is known to undergo dynamic conformational change upon phosphorylation in a diverse range of receiver proteins. We propose a structural model of PhyR regulation in which receiver phosphorylation destabilizes the intramolecular interaction between SL and receiver domains, thereby permitting regions {sigma}{sub 2} and {sigma}{sub 4} in the SL domain to open about a flexible connector loop and bind anti-{sigma} factor.

Herrou, Julien; Foreman, Robert; Fiebig, Aretha; Crosson, Sean (UC)

2012-03-30T23:59:59.000Z

375

A structural model of anti-anti-[sigma] inhibition by a two-component receiver domain: the PhyR stress response regulator  

SciTech Connect (OSTI)

PhyR is a hybrid stress regulator conserved in {alpha}-proteobacteria that contains an N-terminal {sigma}-like (SL) domain and a C-terminal receiver domain. Phosphorylation of the receiver domain is known to promote binding of the SL domain to an anti-{sigma} factor. PhyR thus functions as an anti-anti-{sigma} factor in its phosphorylated state. We present genetic evidence that Caulobacter crescentus PhyR is a phosphorylation-dependent stress regulator that functions in the same pathway as {sigma}{sup T} and its anti-{sigma} factor, NepR. Additionally, we report the X-ray crystal structure of PhyR at 1.25 {angstrom} resolution, which provides insight into the mechanism of anti-anti-{sigma} regulation. Direct intramolecular contact between the PhyR receiver and SL domains spans regions {sigma}{sub 2} and {sigma}{sub 4}, likely serving to stabilize the SL domain in a closed conformation. The molecular surface of the receiver domain contacting the SL domain is the structural equivalent of {alpha}4-{beta}5-{alpha}5, which is known to undergo dynamic conformational change upon phosphorylation in a diverse range of receiver proteins. We propose a structural model of PhyR regulation in which receiver phosphorylation destabilizes the intramolecular interaction between SL and receiver domains, thereby permitting regions {sigma}{sub 2} and {sigma}{sub 4} in the SL domain to open about a flexible connector loop and bind anti-{sigma} factor.

Herrou, Julien; Foreman, Robert; Fiebig, Aretha; Crosson, Sean (UC)

2012-05-09T23:59:59.000Z

376

Auto-segmentation of normal and target structures in head and neck CT images: A feature-driven model-based approach  

SciTech Connect (OSTI)

Purpose: Intensity modulated radiation therapy (IMRT) allows greater control over dose distribution, which leads to a decrease in radiation related toxicity. IMRT, however, requires precise and accurate delineation of the organs at risk and target volumes. Manual delineation is tedious and suffers from both interobserver and intraobserver variability. State of the art auto-segmentation methods are either atlas-based, model-based or hybrid however, robust fully automated segmentation is often difficult due to the insufficient discriminative information provided by standard medical imaging modalities for certain tissue types. In this paper, the authors present a fully automated hybrid approach which combines deformable registration with the model-based approach to accurately segment normal and target tissues from head and neck CT images. Methods: The segmentation process starts by using an average atlas to reliably identify salient landmarks in the patient image. The relationship between these landmarks and the reference dataset serves to guide a deformable registration algorithm, which allows for a close initialization of a set of organ-specific deformable models in the patient image, ensuring their robust adaptation to the boundaries of the structures. Finally, the models are automatically fine adjusted by our boundary refinement approach which attempts to model the uncertainty in model adaptation using a probabilistic mask. This uncertainty is subsequently resolved by voxel classification based on local low-level organ-specific features. Results: To quantitatively evaluate the method, they auto-segment several organs at risk and target tissues from 10 head and neck CT images. They compare the segmentations to the manual delineations outlined by the expert. The evaluation is carried out by estimating two common quantitative measures on 10 datasets: volume overlap fraction or the Dice similarity coefficient (DSC), and a geometrical metric, the median symmetric Hausdorff distance (HD), which is evaluated slice-wise. They achieve an average overlap of 93% for the mandible, 91% for the brainstem, 83% for the parotids, 83% for the submandibular glands, and 74% for the lymph node levels. Conclusions: Our automated segmentation framework is able to segment anatomy in the head and neck region with high accuracy within a clinically-acceptable segmentation time.

Qazi, Arish A.; Pekar, Vladimir; Kim, John; Xie, Jason; Breen, Stephen L.; Jaffray, David A. [Radiation Medicine Program, Princess Margaret Hospital, Toronto, Ontario M5G 2M9 (Canada); Philips Research North America, Markham, Ontario L6C 2S3 (Canada); Radiation Medicine Program, Princess Margaret Hospital, Toronto, Ontario M5G 2M9 (Canada)

2011-11-15T23:59:59.000Z

377

Structuring urban data  

Science Journals Connector (OSTI)

Geometric city modeling is an open problem without standard solutions. Within this problem, there appear several sub-problems that must be faced, like the accurate modeling of streets, buildings and other architectonic structures. One important source ... Keywords: GIS data, Urban data processing, Urban modeling

Oriol Pueyo; Gustavo Patow

2014-02-01T23:59:59.000Z

378

Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure  

SciTech Connect (OSTI)

We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electrons and nuclei. We show that the nBO one-particle densities evaluated in terms of translationally invariant coordinates are independent of the wavefunction describing the motion of center of mass of the whole system. We show that they depend, however, on an arbitrary reference point from which the positions of the vectors labeling the particles are determined. We examine the effect that this arbitrary choice has on the topology of the one-particle density by selecting the Hooke-Calogero model of a three-body system for which expressions for the one-particle densities can be readily obtained in analytic form. We extend this analysis to the one-particle densities obtained from full Coulomb interaction wavefunctions for three-body systems. We conclude, in view of the fact that there is a close link between the choice of the reference point and the topology of one-particle densities that the molecular structure inferred from the topology of these densities is not unique. We analyze the behavior of one-particle densities for the Hooke-Calogero Born-Oppenheimer, BO, wavefunction and show that topological transitions are also present in this case for a particular mass value of the light particles even though in the BO regime the nuclear masses are infinite. In this vein, we argue that the change in topology caused by variation of the mass ratio between light and heavy particles does not constitute a true indication in the nBO regime of the emergence of molecular structure.

Ludena, E. V. [Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela, Bolivarian Republic of); Echevarria, L. [Departamento de Quimica, Universidad Simon Bolivar, USB, Sartenejas, Caracas (Venezuela, Bolivarian Republic of); Lopez, X.; Ugalde, J. M. [Kimika Fakultatea, Euskal Herriko Unibertsitatea, Posta Kutxa 1072, 20080 Donostia, Euskadi (Spain)

2012-02-28T23:59:59.000Z

379

Mechanism of Interaction Between the General Anesthetic Halothane and a Model Ion Channel Protein, I: Structural Investigations via X-Ray Reflectivity from Langmuir Monolayers  

SciTech Connect (OSTI)

We previously reported the synthesis and structural characterization of a model membrane protein comprised of an amphiphilic 4-helix bundle peptide with a hydrophobic domain based on a synthetic ion channel and a hydrophilic domain with designed cavities for binding the general anesthetic halothane. In this work, we synthesized an improved version of this halothane-binding amphiphilic peptide with only a single cavity and an otherwise identical control peptide with no such cavity, and applied x-ray reflectivity to monolayers of these peptides to probe the distribution of halothane along the length of the core of the 4-helix bundle as a function of the concentration of halothane. At the moderate concentrations achieved in this study, approximately three molecules of halothane were found to be localized within a broad symmetric unimodal distribution centered about the designed cavity. At the lowest concentration achieved, of approximately one molecule per bundle, the halothane distribution became narrower and more peaked due to a component of {approx}19Angstroms width centered about the designed cavity. At higher concentrations, approximately six to seven molecules were found to be uniformly distributed along the length of the bundle, corresponding to approximately one molecule per heptad. Monolayers of the control peptide showed only the latter behavior, namely a uniform distribution along the length of the bundle irrespective of the halothane concentration over this range. The results provide insight into the nature of such weak binding when the dissociation constant is in the mM regime, relevant for clinical applications of anesthesia. They also demonstrate the suitability of both the model system and the experimental technique for additional work on the mechanism of general anesthesia, some of it presented in the companion parts II and III under this title.

Strzalka, J.; Liu, J; Tronin, A; Churbanova, I; Johansson, J; Blasie, J

2009-01-01T23:59:59.000Z

380

A conceptual model of the roles of price, quality, and intermediary constructs in determining behavioral intention to visit a festival  

E-Print Network [OSTI]

Model 1???????.... 96 The Second Revised Structural Model 1??????? 99 The Final Revised Structural Model 1???????... 102 Initial Structural Model 2????????????... 106 The Revised Structural Model 2??????????. 109... The Initial Structural Model 2?...???????????... 105 FIGURE 12 The Revised Structural Model 2????????????... 108 FIGURE 13 Final Structural Model and Standardized Parameter Estimates of Model 1??????????????.?????.?.. 115 FIGURE 14 Final...

Lee, So Yon

2006-08-16T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Structure beyond the Standard Model  

Science Journals Connector (OSTI)

...composite. In particular, if the Higgs boson is composite, then the troublesome...possible symmetry capable of keeping a Higgs boson light is supersym- metry (plus...top quark mass of 175 GeV and a Higgs boson mass of 100 GeV. The results of...

2001-01-01T23:59:59.000Z

382

Supplementary Information MODELING HIERARCHICALLY STRUCTURED  

E-Print Network [OSTI]

cylindrical ( phases, pre confirmed la d spherical ( n associated was predict for DBCP m herical (Scp), ols

Lisal, Martin

383

Models for solvated biomolecular structures  

E-Print Network [OSTI]

Daggett, V. 2002. “Protein folding and unfolding at atomicunifying mechanism for protein folding. ” Proceedings of theV. 2004. “Prediction of protein folding rates from the amino

Cerutti, David

2007-01-01T23:59:59.000Z

384

A causal model of linkages among strategy, structure, and performance using directed acyclic graphs: A manufacturing subset of Fortune 500 industrials 1990-1998  

E-Print Network [OSTI]

OF TABLES TABLE Page 2.1 An Illustrative Example of Ownership Hierarchy Focusing on Lowest Level Subsidiary ....................................................................................20 4.1 Variables Used... corporate governance structure using subsidiaries7 rather than divisions. This allows me to analyze governance structure to a greater extent, since multiple levels of governance structure are measurable. Counting levels of subsidiaries facilitates a...

Chong, Hogun

2004-09-30T23:59:59.000Z

385

On the Inner Structure and Topology of Clusters in Two-Component Lipid Bilayers. Comparison of Monomer and Dimer Ising Models  

Science Journals Connector (OSTI)

Comparison of Monomer and Dimer Ising Models ... Clusters of two-component phospholipid bilayers have been simulated by two Ising-type lattice models: the monomer and the dimer model. ... The first theoretical model of a collective system, the model of ferromagnets, was developed by Ernst Ising(17) in 1925. ...

István P. Sugár

2008-08-26T23:59:59.000Z

386

Proc. ACM/SIGGRAPH Symposium on Solid State Modeling and Applications, Montreal, Quebec, Canada, May 1993 A COMPUTATIONAL APPROACH TO THE DESIGN OF MICROMECHANICAL HINGED STRUCTURES  

E-Print Network [OSTI]

Proc. ACM/SIGGRAPH Symposium on Solid State Modeling and Applications, Montreal, Quebec, Canada Modeling and Applications, Montreal, Quebec, Canada, May 1993 position. The problemis how to design

387

Multilevel domain decomposition for electronic structure calculations  

E-Print Network [OSTI]

Multilevel domain decomposition for electronic structure calculations M. Barrault a,b,*, E. Cance method (MDD) for electronic structure calculations within semi- empirical and density functional theory electronic structure calculations A molecular system is composed of N electrons, modelled quantum

Hager, William

388

Factor Structure Of Symptoms In Toddlers With Autism Spectrum Disorder: Comparison Of Dsm-5, Dsm-Iv And Other Competing Models.  

E-Print Network [OSTI]

?? Examination of the structure of autism symptoms is critical to understanding of the phenotype and is particularly timely given changes proposed for the fifth… (more)

Guthrie, Whitney

2012-01-01T23:59:59.000Z

389

Structural Genomics  

Science Journals Connector (OSTI)

Structural Genomics ... Structural genomics is the field of science focused on the systematic determination of the three-dimensional structure of the proteins encoded into genomes. ... Structural genomics is spreading the philosophy of high throughput in all fields of science and making available new tools to speed up research procedures. ...

Ivano Bertini

2003-03-01T23:59:59.000Z

390

Permanence and periodicity of a delayed ratio-dependent predator-prey model with Holling type functional response and stage structure  

Science Journals Connector (OSTI)

A periodic and delayed ratio-dependent predator-prey system with Holling type III functional response and stage structure for both prey and predator is investigated. It is assumed that immature predator and mature individuals of each species are divided ... Keywords: Periodic solution, Permanence, Ratio-dependence, Stage structure, Time delay

Zuxiong Li; Lansun Chen; Jianmin Huang

2009-11-01T23:59:59.000Z

391

Automated Modelling  

Science Journals Connector (OSTI)

The previous chapters presented the fundamentals of bond graph methodology and its potential in tackling some basic problems in various application areas, e.g. models of variable structure (Chapter 7), lumped ...

2010-01-01T23:59:59.000Z

392

Oral English development and its impact on emergent reading achievement: a comparative study of transitional bilingual and structured english immersion models  

E-Print Network [OSTI]

started at kindergarten and continued through first grade in their respective models. Striking similarities were found among the four instructional models that English oral proficiency improved significantly (p < .05) in a linear fashion over two years...

Tong, Fuhui

2009-05-15T23:59:59.000Z

393

Structural Safety and Reliability, Corotis et al. (eds), 2001 Swets & Zeitlinger, ISBN 90 5809 197 X Moment-based fatigue load models for wind energy systems  

E-Print Network [OSTI]

197 X 1 Moment-based fatigue load models for wind energy systems Steven R. Winterstein & LeRoy M. Veers Sandia National Laboratories, Wind Energy Technology Department, Albuquerque, NM 87185-0708 Keywords: load models, fatigue loads, wind energy, non-Gaussian, moment-based models, long- term, short

Manuel, Lance

394

Ab-initio First Principle Modeling of Structural and Magnetic Phase Transformations in Co-Ni-Al Based Shape Memory Alloys  

E-Print Network [OSTI]

. These magnetic properties are mainly attributed to the martensitic structural phase trans- formation these material experience in response to temperature variation. Co-Ni-Al based alloys are one of the most promising ferromagnetic shape memory alloy FSMA that has...

Thawabi, Hassan S

2013-04-16T23:59:59.000Z

395

Electronic structure and models of monooxygenase inductor receptor from a number of polychlorinated polycyclic compounds. 5. MNDO calculations of halogen derivatives of azoxybenzenes  

Science Journals Connector (OSTI)

The MNDO method has been used to calculate the electronic and geometric structure of 3,3?,4,4?-tetraehloroazoxybenzene (TCAOB), 3,3?,4,4?-tetrachloro-6-hydroxyazobenzene (TCHAB), and 2,3,7,8-tetrachlorodibenzo...

A. V. Fokin; E. B. Bogachuk; N. P. Vorob'eva…

1991-01-01T23:59:59.000Z

396

Visible structures  

E-Print Network [OSTI]

All architecture is the interplay between structure, surface and ornament. Traditionally, ornament adorned structure thereby giving it its meaning. A society with its intellectual foundations resting in faith or the abstract ...

Conway, Helene Marie

1991-01-01T23:59:59.000Z

397

Structural biology  

Science Journals Connector (OSTI)

...systematic attempt to 1980 K. C. Holmes Structural biology...structural genomics (Shapiro & Lima 1998). The purpose...Rosenbaum, G., Holmes, K. C. & Witz, J. 1971 Synchrotron...95, 13 585^13590. Shapiro, L. & Lima, C. D. 1998 The Argonne...

1999-01-01T23:59:59.000Z

398

Room-temperature macromolecular serial crystallography using synchrotron radiation  

Science Journals Connector (OSTI)

The room-temperature structure of lysozyme is determined using 40000 individual diffraction patterns from micro-crystals flowing in liquid suspension across a synchrotron microfocus beamline.

Stellato, F.

2014-05-30T23:59:59.000Z

399

The effect of task structure, practice schedule, and model type on the learning of relative and absolute timing by physical and observational practice  

E-Print Network [OSTI]

Three experiments compared learning of relative and absolute timing of a sequential key-pressing task by physical and observational practice. Experiment 1 compared a task with a complex internal structure (goal proportions of 22.2, 44.4, 33...

Black, Charles Beyer

2004-11-15T23:59:59.000Z

400

Electronic structure and models of receptor of monooxygenase inductors from a number of polychlorinated polycyclic compounds. IV. MNDO calculations of halogen-substituted azobenzenes  

Science Journals Connector (OSTI)

The electron and geometric structures of the cis and trans isomers of 3,3?,4,4?-tetrachloroazobenzene (3,3?,4,4?-TCAB) and the trans isomers of 3,3?,5,5?-TCAB and 3,3?-dichloro-4,4?-difluoroazobe...

A. V. Fokin; E. B. Bogachuk; N. I. Raevskii…

1990-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

What’s in a Likelihood? Simple Models of Protein Evolution and the Contribution of Structurally Viable Reconstructions to the Likelihood  

E-Print Network [OSTI]

Most phylogenetic models of protein evolution assume that sites are independent and identically distributed. Interactions between sites are ignored, and the likelihood can be conveniently calculated as the product of the ...

Holder, Mark T.

2011-01-01T23:59:59.000Z

402

Towards predictive modeling of near-edge structures in electron energy-loss spectra of AlN-based ternary alloys  

Science Journals Connector (OSTI)

Although the analysis of electron energy loss near-edge structure provides a tool for experimentally probing the density of unoccupied states, a detailed comparison with simulations is necessary in order to understand the origin of individual peaks. This paper presents a density functional theory based technique for predicting the N K edge for ternary (quasibinary) nitrogen alloys by adopting a core hole approach, a methodology that has been successful for binary nitride compounds. It is demonstrated that by using the spectra of binary compounds for optimizing the core hole charge (0.35?e for cubic Ti1-xAlxN and 0.45?e for wurtzite AlxGa1-xN), the predicted spectra evolutions of the ternary alloys agree well with the experiments. The spectral features are subsequently discussed in terms of the electronic structure and bonding of the alloys.

D. Holec; R. Rachbauer; D. Kiener; P. D. Cherns; P. M. F. J. Costa; C. McAleese; P. H. Mayrhofer; C. J. Humphreys

2011-04-20T23:59:59.000Z

403

Protein Structure  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Protein Structure Protein Structure Name: Chris Location: N/A Country: N/A Date: N/A Question: what are the four levels or structure of protien Replies: Hi Chris... as you must know proteins are made of amino acids arranged in polypeptide chains, and the order of them in these chains is called primary structure. The regular way in which the polypeptide chains are arranged in space to form a protein molecule is called secondary structure. The arrangement of the three-dimensional structure of the polypeptide chain in space is the tertiary structure. The arrangement of the combination of two or more polypeptide chains constitutes the quartenary structure. Quite simple, isn't? If you just remember that the molecular weights of proteins range usually from 10,000 to 100,000 daltons (one dalton is the weight of one hydrogen atom) and that 20 different amino-acids in a chain 100 amino acids long can be arranged in far more than 10 to its 100 potency ( number 1 followed by 100 zeroes) ways!

404

Analytic theory of L{yields}H transition, barrier structure, and hysteresis for a simple model of coupled particle and heat fluxes  

SciTech Connect (OSTI)

The two-field (pressure/density) model for the L{yields}H transition is extended and analyzed qualitatively. In its original form the model is ambiguous as to the location of the transition within the range of bistability of particle and thermal fluxes. Here, the model is regularized by including (i) hyperdiffusion, (ii) time dependence, and (iii) curvature of the pressure profile. The regularizations (i)-(ii) agree and indicate that the Maxwell rule for the forward and back transition applies, as opposed to the maximum flux forward and minimum flux backward transition rules (which yields hysteresis) as suggested previously. Regarding (i)-(ii), simple models suggest that for a pressure gradient driven electric field shear bifurcation, the basic scale of the pedestal is inexorably tied to the particle fueling depth, which normally is the neutral penetration depth. There is no hysteresis predicted by the local model of transport suppression. However, the effect of pressure profile curvature (iii) changes these results substantially. When it dominates, the curvature effect reduces the transition threshold to the lower end of the range of heating power, which falls within the phase coexistence region for both forward and back transitions. This softens the transition threshold requirements. In this limit, the model with pressure curvature also predicts transitions which occur in regimes of flat density and driven exclusively by the temperature gradient. This allows the pedestal to extend beyond the fueling depth, and also allows some decoupling of density and pressure profiles. In a parameter range where the pressure curvature is less important the transition occurs somewhere between the above two limits.

Malkov, M. A.; Diamond, P. H. [Center for Astrophysics and Space Sciences and Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States)

2008-12-15T23:59:59.000Z

405

Drift-Diffusion Model of the Fragmentation of the External Ring Structure in the Photoluminescence Pattern Emitted by Indirect Excitons in Coupled Quantum Wells  

Science Journals Connector (OSTI)

Under optical excitation, coupled quantum wells are known to reveal fascinating features in the photoluminescence pattern originating from dipole orientated indirect excitons. The appearance of an external ring has been attributed to macroscopic charge separation in the quantum well plane. We present a classical model of nonlinear diffusion to account for the observed fragmentation of the external ring into a periodic array of islands. The model incorporates the Coulomb interactions between electrons, holes, and indirect excitons. At low temperatures, these interactions lead to pattern formation similar to the experimentally observed ring fragmentation. The fragmentation is found to persist to temperatures above the quantum degeneracy temperature of indirect excitons.

J. Wilkes, E. A. Muljarov, and A. L. Ivanov

2012-10-31T23:59:59.000Z

406

CHAPTER 3. STRUCTURE OF MAGNETIC FIELDS 1 Structure of Magnetic  

E-Print Network [OSTI]

CHAPTER 3. STRUCTURE OF MAGNETIC FIELDS 1 Chapter 3 Structure of Magnetic Fields Many of the most interesting plasmas are permeated by or imbedded in magnetic fields.1 As shown in Fig. 3.1, the magnetic field properties of magnetic fields in plasmas can be discussed without specifying a model for the plasma

Callen, James D.

407

The structure of trititanate nanotubes  

Science Journals Connector (OSTI)

Combining information from X-ray diffraction, selected-area electron diffraction, high-resolution transmission electron microscopy and image simulation, a structural model is derived for trititanate nanotubes.

Chen, Q.

2002-07-30T23:59:59.000Z

408

Dynamical modelling of stars and gas in NGC 2974: determination of mass-to-light ratio, inclination and orbital structure using the Schwarzschild method  

Science Journals Connector (OSTI)

......deviations from mirror-antisymmetry...are based on the Schwarzschild orbit-superposition...tests with the Schwarzschild code suggested...symmetrization uses the mirror-(anti)symmetry...coming from the Schwarzschild modelling is consistent...symmetry and mirror-(anti)symmetry......

Davor Krajnovic; Michele Cappellari; Eric Emsellem; Richard M. McDermid; P. Tim De Zeeuw

2005-03-11T23:59:59.000Z

409

Transient Response of the Hadley Centre Coupled Ocean-Atmosphere Model to Increasing Carbon Dioxide. Part II: Spatial and Temporal Structure of Response  

Science Journals Connector (OSTI)

A high-resolution (2.75° lat × ° 3.75° long) coupled ocean-atmosphere model has been used to simulate the transient response of climate to a gradual increase in atmospheric carbon dioxide concentrations. Although the radiative forcing increases ...

J. M. Murphy; J. F. B. Mitchell

1995-01-01T23:59:59.000Z

410

Adaptation costs for sustainable development and ecological transitions: a presentation of the structural model M3ED with reference to French energy?economy?carbon dioxide emission prospects*  

Science Journals Connector (OSTI)

The aim of this paper is to assess the adaptation costs associated with the transition to a sustainable development path, taking the example of carbon dioxide emissions in the French economy. The model used is based on systems dynamics modelling and energy input-output analysis. This type of approach has the interesting property of precisely defining the nature of interactions between the different economic sectors, and between the economic sectors and the environment. This provides a framework within which to test different types of economic, technology and environment policy. In effect, according to our interests, it is necessary to measure problems of resources allocation or sequential choices between different alternatives why and how a particular solution comes to be selected from a multiplicity of alternatives. First, we characterise the methodological and conceptual specification of the model. Secondly, we locate specific properties of the model linked with both ecological sustainability and economic feasability constraints. Thirdly, a sensitivity test is applied concerning different control policy scenarios for the case of carbon dioxide emissions in the French economy.

Patrick Schembri

1999-01-01T23:59:59.000Z

411

Published in Proceedings of the XL2003 (Response of Structures to Extreme Loading) Conference, Toronto, August 2003. EFFICIENT MODELS FOR WIND TURBINE EXTREME LOADS  

E-Print Network [OSTI]

, Toronto, August 2003. EFFICIENT MODELS FOR WIND TURBINE EXTREME LOADS USING INVERSE RELIABILITY K, USA ABSTRACT The reliability of wind turbines against extreme loads is the focus of this study of randomness in the gross wind environment as well as in the extreme response given wind conditions. A detailed

Manuel, Lance

412

Photovoltaics Business Models  

SciTech Connect (OSTI)

This report summarizes work to better understand the structure of future photovoltaics business models and the research, development, and demonstration required to support their deployment.

Frantzis, L.; Graham, S.; Katofsky, R.; Sawyer, H.

2008-02-01T23:59:59.000Z

413

Structured Descriptions  

E-Print Network [OSTI]

A descriptive formalism along with a philosophy for its use and expansion are presented wherein descriptions are of a highly structured nature. This descriptive system and the method of recognition are extended to the ...

Gabriel, Richard P.

414

Observation of the Early Structural Changes Leading to the Formation of Protein Superstructures  

E-Print Network [OSTI]

with this idea, a number of hydrophobic residues are present in the exterior of the ?-domains.5 Specifically, Val 112, 2 and 99 (D-helix/loop interface) together with Leu 120, 124 and 129 (A-helix) are candidate for the formation of such hydrophobic... Lysozyme. J. Mol. Biol. 1997, 268, 903-921. (7) Tsuge, H.; Ago, H.; Noma, M.; Nitta, K.; Sugai, S.; Miyano M. Crystallographic Studies of a Calcium Binding Lysozyme From Equine Milk at 2.5 A resolution. J. Biochem. 1992, 111, 141- 143. 16 (8) Blanch, E...

Foderà, Vito; Vetri, Valeria; Wind, Thea S.; Noppe, Wim; Cornett, Claus; Donald, Athene M.; Morozova-Roche, Ludmilla A.; Vestergaard, Bente

2014-09-03T23:59:59.000Z

415

Chapter 6 - Offshore Structural Analysis  

Science Journals Connector (OSTI)

Publisher Summary This chapter discusses the primary considerations that the design engineer should bear in mind during the initial design and subsequent structural analysis. The designer is faced with a large number of rules, codes, standards, and specifications describing the general policy for structural systems and the detailed design of structural components, which includes government requirements, certification/classification authorities, and other technical documents. The notation “Structures” refers to all types of marine units ranging from floating ship-shaped vessels to bottom founded platforms. Emphasis has been placed on ship-shaped structures. Consideration is also given to column-supported structures, e.g., semi-submersibles, tension leg platforms, spars, and mooring buoys, etc., and also to steel bottom founded offshore structures, such as fixed steel jackets. The main output of the planning process is a “Design Basis,” describing the criteria and a “Design Brief,” describing the procedure to be followed and software to be used. This chapter discusses the finite element method, which is a powerful computational tool that has been widely used in the design of complex marine structures over the decades. This chapter gives a general overview for the design of marine structures using a finite element modeling technique. It also addresses structural modeling defined by industry codes for fixed platforms and floating production installations. Throughout this chapter, emphasis is placed on the design process where the finite element analysis will be employed.

Yong Bai

2003-01-01T23:59:59.000Z

416

Structure and thermoplasticity of coal  

SciTech Connect (OSTI)

Chapters cover: molecular structure and thermoplastic properties of coal; {sup 1}H-nmr study of relaxation mechanisms of coal aggregate; structural changes of coal macromolecules during softening; quantitative estimation of metaplsat in heat-treated coal by solvent extraction; effects of surface oxidation on thermoplastic properties of coal; analysis of dilatation and contraction of coal during carbonization; formation mechanisms of coke texture during resolidification; modified CPD model for coal devolatilization; mathematical modelling of coke mechanical structure; and simulating particulate dynamics in the carbonization process based on discrete element treatment.

Komaki, I.; Itagaki, S.; Miura, T. (eds.)

2004-07-01T23:59:59.000Z

417

Electron emission resulting from fast ion impact on thin metal foils: Implications of these data for development of track structure models  

SciTech Connect (OSTI)

Experimental information useful in improving and testing theoretical models of energy deposition and redistribution in particle-condensed phase media is discussed. An overview of information available from previous, and ongoing, studies of the electron emission from thin foils is presented and the need for doubly differential electron energy and angular distribution data stressed. Existing data are used to demonstrate that precisely known, and controllable, surface and bulk conditions of the condensed-phase media are required for experimental studies of this type. Work in progress and improvements planned for future studies at the Pacific Northwest Laboratory are outlined.

DuBois, R.D.; Drexler, C.G.

1993-04-01T23:59:59.000Z

418

Evaluation of the Effects of Porous Media Structure on Mixing...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Media Structure on Mixing-Controlled Reactions Using Pore-Scale Modeling and Micromodel Abstract: The objectives of this work were to determine if a porescale model could...

419

Structural Model of the 50 S Subunit of Escherichia coli Ribosomes from Solution Scattering: I. X-ray Synchroton Radiation Study  

Science Journals Connector (OSTI)

The application of new methods of small-angle scattering data interpretation to a contrast variation study of the 50 S ribosomal subunit of Escherichia coli in solution is described. The experimental X-ray data from contrast variation with sucrose are analysed in terms of the basic functions in real and the scattering curves from the volume inaccessible to sucrose and from the regions inside this volume occupied mainly by RNA and by proteins are obtained. From these curves models of the shape of the 50 S subunit and its RNA-rich core are evaluated. These two shapes are positioned so that their difference, which approximates the volume occupied by the proteins, produces a scattering curve which is in good agreement with the scattering from the protein moiety.

D.I. Svergun; M.H.J. Koch; I.N. Serdyuk

1994-01-01T23:59:59.000Z

420

Substrate stabilization of lysozyme to thermal and guanidine hydrochloride denaturation  

E-Print Network [OSTI]

. , and Mayer, R ~ J ~ (1976) Biochemic J. 154, 359-370 Schimke, T T. ('1964) J Biol Chem 239, 3808-3817 Goldberg, A. L. and St. John, A. C. (1976) Annu. Rev. Biochem, 45, 748-803 Dice, J ~ F. , Dehlinger, P ~ J ~, and Schimke, R ~ T. (1973) JB Biol Chem... 248, 4220-4228 Dehlinger, P. J ~ and Schimke, R ~ T ~ (1972) J ~ Biol. Chem 246, 2574-2583 Dice, J F. and Goldberg, A L, (1975) Proc. Natl. Acad Scil U ~ ST A. 72, 3893-3897 Bohley, P ~, Kirschke, H, Langner, J ~, Niederanders, 8 ~, Ansorge...

McGrath, Timothy

2012-06-07T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Membrane Structure  

Science Journals Connector (OSTI)

...structure. The gen-cral picturc (given bs both of' these workeirs \\aas very similar...Circle No. 82 on Readers Service Card Low cost student recording from Harvard Apparatus...Steim, thermal analysis; D. Chapman, nuclear magnet-ic resonance; H. M. McConnell...

D. E. Green

1971-11-19T23:59:59.000Z

422

Glass Structure  

Science Journals Connector (OSTI)

... Structure and Crystallization of Glasses. By WernerVogel. Pp. 246. (Pergamon: Oxford and New York, October 1971. ... account of the experimental work on liquid-liquid separation and nucleation and crystal growth in glasses carried out by the author and his colleagues in the laboratories of VEB Jena ...

R. W. DOUGLAS

1972-04-07T23:59:59.000Z

423

Analytical protostellar disk models 1: the effect of internal dissipation and surface irradiation on the structure of disks and the location of the snow line around Sun-like stars  

E-Print Network [OSTI]

We construct a new set of self-consistent analytical disk models by taking into account both viscous and radiative sources of thermal energy. We analyze the non-isothermal structure of the disk across the mid-plane for optically thick disks, and use the standard two-temperature model in the case of optically thin disks. We deduce a set of general formula for the relationship between the mass accretion rate and the surface density profile. Our results recover those of Chiang & Goldreich in the optically thin regions, but extend their work for the opaque regions of the disk. For the purpose of illustration, we apply our theory in this paper to determine the structure of protostellar disks around T Tauri stars under a state of steady accretion and derive the corresponding radial distribution function of various disk properties such as surface density and temperature near the mid-plane. We calculate the position of the snow line around a sun-like T Tauri star, and deduce that it can evolve from well outside 10 AU during FU Orionis outbursts, to about 4 AU during passive accretion phase, to the present-day orbital radius of Venus and finally re-expand to over 2.2 AU during the protostellar- to-debris disk transition. This non-monotonous evolution of the snow line may provide some novel and deterministic explanation for the total water content and its isotopic composition of both Venus and the Earth. In the optically thin, outermost regions of the disk we find that the surface density profile of the dust varies roughly as 1/r, which is consistent with mm observations of spatially resolved disk of Mundy et al. (2000).

Pascale Garaud; Douglas N. C. Lin

2006-05-03T23:59:59.000Z

424

Transient response of the Hadley Centre coupled ocean-atmosphere model to increasing carbon dioxide. Part II: Spatial and temporal structure of response  

SciTech Connect (OSTI)

A high-resolution (2.75{degrees} lat x 3.75{degrees} long) coupled ocean-atmosphere model has been used to simulate the transient response of climate to a gradual increase in atmospheric carbon dioxide concentrations. Although the radiative forcing increases linearly, there is a delay of about 30 yr before the ocean warms appreciably. This {open_quotes}cold start{close_quotes} is, at least partly, an artifact of the experimental design. At the time of doubling (after 70 yr), the patterns of change are similar to those found in comparable studies of the equilibrium response, except in the high latitudes of the Southern Ocean and the North Atlantic, where the warming is considerably reduced. The mechanisms leading to this reduction are discussed. After two to three decades, the pattern of warming is well established. The warming over land is substantially larger than that over the sea, with a consequent lowering of surface pressure over the northern continents in summer. The patterns of changes in precipitation and soil moisture take longer to establish themselves, although locally there are consistent changes after the third decade. 55 refs., 30 figs., 6 tabs.

Murphy, J.M.; Mitchell, J.F.B. [Hadley Centre for Climate Prediction and Research, Berkshire (United Kingdom)] [Hadley Centre for Climate Prediction and Research, Berkshire (United Kingdom)

1995-01-01T23:59:59.000Z

425

SU(3) Polyakov Linear $\\sigma$-Model in Magnetic Field: Thermodynamics, Higher-Order Moments, Chiral Phase Structure and Meson Masses  

E-Print Network [OSTI]

Effects of external magnetic field on various properties of the quantum chromodynamics under extreme conditions of temperature and density have been analysed. To this end, we use SU(3) Polyakov linear sigma-model and assume that the external magnetic field eB adds some restrictions to the quarks energy due to the existence of free charges in the plasma phase. In doing this, we apply the Landau theory of quantization. This requires an additional temperature to drive the system through the chiral phase-transition. Accordingly, the dependence of the critical temperature of chiral and confinement phase-transitions on the magnetic field is characterized. Based on this, we have studied the thermal evolution of thermodynamic quantities and the first four higher-order moment of particle multiplicity. Having all these calculations, we have studied the effects of magnetic field on chiral phase-transition. We found that both critical temperature T_c and critical chemical potential increase with increasing the magnetic f...

Tawfik, Abdel Nasser

2015-01-01T23:59:59.000Z

426

Structural Modeling and Analysis of Structures in Aorta Images  

E-Print Network [OSTI]

). ........................ 10 Figure 4. A synthetic binary image consisting of five sinusoidal curves was used to verify the accuracy of my Radon Transform (RT) algorithm. ............ 14 Figure 5. Computed angle for the principal (circumferential) direction estimated...) thickness across the arterial wall. In this dissertation, I propose an image analysis scheme to delineate spatial patterns of EL such as changes in its thickness across the arterial wall. Key features of my scheme include: 1) a Radon Transform based...

Xu, Hai

2012-10-19T23:59:59.000Z

427

Terminal structure  

DOE Patents [OSTI]

A terminal structure (2) for a superconducting cable (1) is described. It consists of a conductor (2a) and an insulator (2b) that surrounds the conductor (2a), wherein the superconducting cable (1) has a core with a superconducting conductor (5) and a layer of insulation that surrounds the conductor (5), and wherein the core is arranged in such a way that it can move longitudinally in a cryostat. The conductor (2a) of the terminal structure (2) is electrically connected with the superconducting conductor (5) or with a normal conductor (6) that is connected with the superconducting conductor (5) by means of a tubular part (7) made of an electrically conductive material, wherein the superconducting conductor (5) or the normal conductor (6) can slide in the part (7) in the direction of the superconductor.

Schmidt, Frank (Langenhagen, DE); Allais, Arnaud (Hannover, DE); Mirebeau, Pierre (Villebon sur Yvette, FR); Ganhungu, Francois (Vieux-Reng, FR); Lallouet, Nicolas (Saint Martin Boulogne, FR)

2009-10-20T23:59:59.000Z

428

Biosynthesis of bacterial glycogen: purification and structural and immunological properties of Rhodopseudomonas sphaeroides ADPglucose synthetase.  

Science Journals Connector (OSTI)

...was applied to a thin-layer cellulose sheet (20 by 20 cm; Eastman Kodak no. 6064...Rfof 0.22 on thin-layer cellulose sheets developed in 2-propanol-2-butanone-1...cross-reactivity upon sequence resem- blance among lysozymes. I. Comparison ofprecipitin...

S G Yung; J Preiss

1982-08-01T23:59:59.000Z

429

Airfoil structure  

DOE Patents [OSTI]

Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally "C" configuration of the airfoil. The generally "C" configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion.

Frey, Gary A. (Poway, CA); Twardochleb, Christopher Z. (Alpine, CA)

1998-01-01T23:59:59.000Z

430

Airfoil structure  

DOE Patents [OSTI]

Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally ``C`` configuration of the airfoil. The generally ``C`` configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion. 6 figs.

Frey, G.A.; Twardochleb, C.Z.

1998-01-13T23:59:59.000Z

431

Argonne CNM News: Structural Consequences of Nanolithography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Structural Consequences of Nanolithography Structural Consequences of Nanolithography Ferroelectric domains written by PFM Ferroelectric domains written by PFM exhibit a subtle structural distortion that can be directly observed using hard X-ray nanodiffraction microscopy. Nanolithography effect on structure Modeling shows that the writing process induces a structural electromechanical response to unscreened charges at surfaces and interfaces, altering the local free energy of written ferroelectric domains. Users from the University of Wisconsin-Madison and the Center for Nanophase Materials Science, working with the X-Ray Microscopy Group, have discovered structural effects accompanying the nanoscale lithography of ferroelectric polarization domains. The results shed new light on the physics of

432

Human errors and structural failure probability  

Science Journals Connector (OSTI)

Predicting the influence of human errors on structural failure probability is the topic of this paper. There are two principal reasons for needing this information. First, if errors are present after the design of a structure is completed, as is generally the case, this will provide the engineer with a measure of what effect such errors will have on the structural safety. Second, this information is directly useful in the optimisation of quality assurance expenditures, which can effectively be used for controlling the probability of structural failure due to errors. Simplified probabilistic models are developed to integrate human errors into structural risk assessment. Numerical examples illustrate the sensitivity of structural safety to errors.

Dan M. Frangopol

1988-01-01T23:59:59.000Z

433

Kinetic Modeling of Oxidation of Antibacterial Agents by Manganese  

E-Print Network [OSTI]

related model compounds (structures shown in Table S1). The antibacterials included two phenols (triclosan

Huang, Ching-Hua

434

Journal Article: Simplified Protein Models: Predicting Folding...  

Office of Scientific and Technical Information (OSTI)

Simplified Protein Models: Predicting Folding Pathways and Structure Using Amino Acid Sequences Citation Details Title: Simplified Protein Models: Predicting Folding Pathways and...

435

Structural Characterization  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Characterization Characterization and Comparison of Switchgrass Ball-milled Lignin Before and After Dilute Acid Pretreatment Reichel Samuel & Yunqiao Pu & Babu Raman & Arthur J. Ragauskas Received: 25 April 2009 / Accepted: 10 August 2009 # Humana Press 2009 Abstract To reduce the recalcitrance and enhance enzymatic activity, dilute H 2 SO 4 pretreatment was carried out on Alamo switchgrass (Panicum virgatum). Ball-milled lignin was isolated from switchgrass before and after pretreatment. Its structure was characterized by 13 C, HSQC, and 31 P NMR spectroscopy. It was confirmed that ball-milled switchgrass lignin is of HGS type with a considerable amount of p-coumarate and felurate esters of lignin. The major ball-milled lignin interunit was the β-O-4 linkage, and a minor amount of phenylcoumarin, resinol, and spirodienone units were also present. As a result of the acid pretreatment,

436

Armor structures  

DOE Patents [OSTI]

An armor structure includes first and second layers individually containing a plurality of i-beams. Individual i-beams have a pair of longitudinal flanges interconnected by a longitudinal crosspiece and defining opposing longitudinal channels between the pair of flanges. The i-beams within individual of the first and second layers run parallel. The laterally outermost faces of the flanges of adjacent i-beams face one another. One of the longitudinal channels in each of the first and second layers faces one of the longitudinal channels in the other of the first and second layers. The channels of the first layer run parallel with the channels of the second layer. The flanges of the first and second layers overlap with the crosspieces of the other of the first and second layers, and portions of said flanges are received within the facing channels of the i-beams of the other of the first and second layers.

Chu, Henry Shiu-Hung [Idaho Falls, ID; Lacy, Jeffrey M [Idaho Falls, ID

2008-04-01T23:59:59.000Z

437

Laguerre polynomials method in the valon model  

E-Print Network [OSTI]

We used the Laguerre polynomials method for determination of the proton structure function in the valon model. We have examined the applicability of the valon model with respect to a very elegant method, where the structure of the proton is determined by expanding valon distributions and valon structure functions on Laguerre polynomials. We compared our results with the experimental data, GJR parameterization and DL model. Having checked, this method gives a good description for the proton structure function in valon model.

G. R. Boroun; M. Amiri

2014-02-02T23:59:59.000Z

438

Optimized Null Model for Protein Structure Networks  

E-Print Network [OSTI]

play a key role in protein folding. Phys Rev E Stat Nonlinstages in non-two-state protein folding. J Mol Biol 357(5):determinants of protein folding. PNAS 12. Soyer A, Chomilier

Milenkovic, Tijana; Filippis, Ioannis; Lappe, Michael; Przulj, Natasa

2009-01-01T23:59:59.000Z

439

Flavor Structure of E6 GUT Models  

Science Journals Connector (OSTI)

......doublet Hig- gses. Here, for economical reasons, we assume that the...masses are decoupled at low energy, and the massless modes are...Universe: from Particles to the Solar System and the Cosmos", from...40) S. F. King, J. High Energy Phys. 09 (2002), 011......

Hidetoshi Kawase; Nobuhiro Maekawa

2010-06-01T23:59:59.000Z

440

A computer model to compare greenhouse structures  

E-Print Network [OSTI]

accessories) GHG240A GHG400A GHS210 GHS296 200000 320000 163000 235000 1119 1449. 75 1013. 25 1143 C. Accessories LP conversion kit (GHG240A) (GHG400A) Two-stage thermostat outside return air plenum (GHG240A) (GHG400A) (GHS210) (GHS296... accessories) GHG240A GHG400A GHS210 GHS296 200000 320000 163000 235000 1119 1449. 75 1013. 25 1143 C. Accessories LP conversion kit (GHG240A) (GHG400A) Two-stage thermostat outside return air plenum (GHG240A) (GHG400A) (GHS210) (GHS296...

Chiou, Jiun-Shian

2012-06-07T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Smart Structures: Model Development and Control Applications  

E-Print Network [OSTI]

advances in material science have produced a class of systems termed smart, intelligent or adaptive; 1 Introduction Increased demands for high performance control design in combination with recent are dictated by the design requirements for the system. For aeronautic and aerospace systems, control

442

Preliminary Results from the Structural Model  

E-Print Network [OSTI]

View GIS o Step-by-step procedure: n Create shapefiles of the integrated energy system n Convert of the available tools in ArcView #12;Copyright © Ana Quelhas, 2006 3 Coal Network Layer #12;Copyright © Ana Validation o Actual generation levels (without distinction among coal steam technologies) and load 9.14 %9

Tesfatsion, Leigh

443

MODELING OF PERIODIC DIELECTRIC STRUCTURES (ELECTROMAGNETIC CRYSTALS)  

E-Print Network [OSTI]

Maxwell (1831­1879) #12;c John David Shumpert 2001 All Rights Reserved #12;Sola Deo Gloria ii #12 and Engineering (DDR&E) Multidisciplinary Univer- sity Research Initiative (MURI) on "Low Energy Electronics

Sarabandi, Kamal

444

Incorporating linguistic structure into statistical language models  

Science Journals Connector (OSTI)

...distribution has been eliminated. The process can now be repeated by generating a corpus...conventional linguistic boundaries. z A process of iteratively incorporating the most...recognition. Speech communication papers, 97th Mtg of the Acoustic Society of America (ed...

2000-01-01T23:59:59.000Z

445

Modeling the structure of collective intelligence  

E-Print Network [OSTI]

The human problem solution process has attracted an increasing amount of interest among educators, managers, computer scientists and others. However, the discussion of the subject has suffered from the lack of stochastic ...

Dong, Wen, Ph.D. Massachusetts Institute of Technology

2010-01-01T23:59:59.000Z

446

NMR and Structural Genomics  

Science Journals Connector (OSTI)

NMR and Structural Genomics ... The role of NMR in structural genomics is outlined, with particular emphasis on using protein domains as targets. ... Targets in Structural Genomics ...

David Staunton; Jo Owen; Iain D. Campbell

2002-12-07T23:59:59.000Z

447

Electromagnetic structure of pion  

SciTech Connect (OSTI)

In this work, we analyze the electromagnetic structure of the pion, an elementary particle composed by a quark-antiquark bound state, by considering the calculation of its electromagnetic radius and its electromagnetic form factor in low and intermediate energy range. Such observables are determined by means of a theoretical model that takes into account the constituent quark and antiquark of the pion, in the formalism of the light-front field theory. In particular, it is considered a nonsymmetrical vertex for such a model, in which we have calculated the electromagnetic form factor of the pion in an optimized way, by varying its regulator mass, so that we can obtain the best value for the pion electromagnetic radius when compared with the experimental one. The theoretical calculations are also compared with the most recent experimental data involving the pion electromagnetic form factor and the results show very good agreement.

Mello, Clayton S.; Cruz Filho, Jose P.; Da Silva, Edson O.; El-Bennich, Bruno; De Melo, J. P.; Filho, Victo S. [Laboratorio de Fisica Teorica e Computacional (LFTC), Universidade Cruzeiro do Sul, 01506-000, Sao Paulo (Brazil)

2013-03-25T23:59:59.000Z

448

The structure and emission model of the relativistic jet in the quasar 3C 279 inferred from radio to high-energy gamma-ray observations in 2008-2010  

E-Print Network [OSTI]

We present time-resolved broad-band observations of the quasar 3C 279 obtained from multi-wavelength campaigns conducted during the first two years of the Fermi Gamma-ray Space Telescope mission. While investigating the previously reported gamma-ray/optical flare accompanied by a change in optical polarization, we found that the optical emission appears delayed with respect to the gamma-ray emission by about 10 days. X-ray observations reveal a pair of `isolated' flares separated by ~90 days, with only weak gamma-ray/optical counterparts. The spectral structure measured by Spitzer reveals a synchrotron component peaking in the mid-infrared band with a sharp break at the far-infrared band during the gamma-ray flare, while the peak appears in the mm/sub-mm band in the low state. Selected spectral energy distributions are fitted with leptonic models including Comptonization of external radiation produced in a dusty torus or the broad-line region. Adopting the interpretation of the polarization swing involving pr...

Hayashida, M; Nalewajko, K; Sikora, M; Wehrle, A E; Ogle, P; Collmar, W; Larsson, S; Fukazawa, Y; Itoh, R; Chiang, J; Stawarz, L; Blandford, R D; Richards, J L; Max-Moerbeck, W; Readhead, A; Buehler, R; Cavazzuti, E; Ciprini, S; Gehrels, N; Reimer, A; Szostek, A; Tanaka, T; Tosti, G; Uchiyama, Y; Kawabata, K S; Kino, M; Sakimoto, K; Sasada, M; Sato, S; Uemura, M; Yamanaka, M; Greiner, J; Kruehler, T; Rossi, A; Macquart, J P; Bock, D C -J; Villata, M; Raiteri, C M; Agudo, I; Aller, H D; Aller, M F; Arkharov, A A; Bach, U; Benitez, E; Berdyugin, A; Blinov, D A; Blumenthal, K; Boettcher, M; Buemi, C S; Carosati, D; Chen, W P; Di Paola, A; Dolci, M; Efimova, N V; Forne, E; Gomez, J L; Gurwell, M A; Heidt, J; Hiriart, D; Jordan, B; Jorstad, S G; Joshi, M; Kimeridze, G; Konstantinova, T S; Kopatskaya, E N; Koptelova, E; Kurtanidze, O M; Lahteenmaki, A; Lamerato, A; Larionov, V M; Larionova, E G; Larionova, L V; Leto, P; Lindfors, E; Marscher, A P; McHardy, I M; Molina, S N; Morozova, D A; Nikolashvili, M G; Nilsson, K; Reinthal, R; Roustazadeh, P; Sakamoto, T; Sigua, L A; Sillanpaa, A; Takalo, L; Tammi, J; Taylor, B; Tornikoski, M; Trigilio, C; Troitsky, I S; Umana, G

2012-01-01T23:59:59.000Z

449

Numerical Simulation of Wave Loads on Static Offshore Structures  

E-Print Network [OSTI]

Numerical Simulation of Wave Loads on Static Offshore Structures Hrvoje Jasak, Inno Gatin, Vuko Workshop, Cambridge, 30 July 2014 Numerical Simulation of Wave Loads on Static Offshore Structures ­ p. #12 of Wave Loads on Static Offshore Structures ­ p. #12;VOF Free Surface Flow Model Modelling of Free Surface

450

Spatiotemporal brain imaging and modeling  

E-Print Network [OSTI]

This thesis integrates hardware development, data analysis, and mathematical modeling to facilitate our understanding of brain cognition. Exploration of these brain mechanisms requires both structural and functional knowledge ...

Lin, Fa-Hsuan, 1972-

2004-01-01T23:59:59.000Z

451

Efficient inference of protein structural ensembles  

E-Print Network [OSTI]

It is becoming clear that traditional, single-structure models of proteins are insufficient for understanding their biological function. Here, we outline one method for inferring, from experiments, not only the most common structure a protein adopts (native state), but the entire ensemble of conformations the system can adopt. Such ensemble mod- els are necessary to understand intrinsically disordered proteins, enzyme catalysis, and signaling. We suggest that the most difficult aspect of generating such a model will be finding a small set of configurations to accurately model structural heterogeneity and present one way to overcome this challenge.

Lane, Thomas J; Beauchamp, Kyle A; Pande, Vijay S

2014-01-01T23:59:59.000Z

452

Solar structure without computers  

Science Journals Connector (OSTI)

We derive succinctly the equations of solar structure. We first present models of objects in hydrostatic equilibrium that fail as models of the sun in order to illustrate important physical requirements. Then by arguing physically that the pressure gradient can be matched to the simple function d P/d r=?k r e ?(r/a)2 we derive a complete analytic representation of the solar interior in terms of a one?parameter family of models. Two different conditions are then used to select the appropriate value of the parameter specifying the best model within the family: (1) the solar luminosity is equated to the thermonuclear power generated near the center and/or (2) the solar luminosity is equated to the radiative diffusion of energy from a central region. The two methods of selecting the parameter agree to within a few percent. The central conditions of the sun are well calculated by these analytic formulas all without aid of a computer. This is an original treatment yielding much the best description of the solar center to be found by methods of differential and integral calculus rendering it an excellent laboratory for applied calculus.

Donald D. Clayton

1986-01-01T23:59:59.000Z

453

Electronic structure of superconductivity refined  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Electronic structure of superconductivity refined Electronic structure of superconductivity refined Electronic structure of superconductivity refined A team of physicists propose a new model that expands on a little understood aspect of the electronic structure in high-temperature superconductors. July 10, 2008 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials.

454

Conceptual Model | Open Energy Information  

Open Energy Info (EERE)

Conceptual Model Conceptual Model Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Conceptual Model Details Activities (17) Areas (4) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Rock types, rock chemistry, stratigraphic layer organization Stratigraphic/Structural: Location and shape of permeable and non-permeable structures, faults, fracture patterns Hydrological: Hydrothermal fluid flow characteristics, up-flow patterns Thermal: Temperature and pressure extrapolation throughout reservoir, heat source characteristics Dictionary.png Conceptual Model:

455

A Golden Ruler Used to Measure DNA Structure in Solution  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

8 A Golden Ruler Used to Measure DNA Structure in Solution The first crystal structures of DNA double helices appeared in 1979 and directly confirmed the atomic model of...

456

Polysomatic series in the structures of complex cuprates  

Science Journals Connector (OSTI)

This study has shown that the polysomatic model can be efficiently applied to the structural analysis of complex cuprates. The structure of ladder-type cuprates was analysed in more detail.

Leonyuk, L.

1999-07-01T23:59:59.000Z

457

Analytical Modeling | Open Energy Information  

Open Energy Info (EERE)

Analytical Modeling Analytical Modeling Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Analytical Modeling Details Activities (1) Areas (1) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Stratigraphic/Structural: Hydrological: Thermal: Dictionary.png Analytical Modeling: A mathematical modeling technique used for simulating, explaining, and making predictions about the mechanisms involved in complex physical processes. Other definitions:Wikipedia Reegle Introduction Analytical models are mathematical models that have a closed form solution. Or in other words the solution to the equations used to describe changes in

458

Dipole rescattering and the nuclear structure function  

SciTech Connect (OSTI)

In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

Carvalho, F. [Depto de Ciencias Exatas e da Terra, Universidade Federal de Sao Paulo, SP (Brazil); Goncalves, V. P. [Instituto de Fisica e Matematica, Universidade Federal de Pelotas, Caixa Postal 354, CEP 96010-900, Pelotas, RS (Brazil); Navarra, F. S.; Oliveira, E. G. [Instituto de Fisica, Universidade de Sao Paulo Rua do Matao, Travessa R, 187, 05508-090 Sao Paulo, SP (Brazil)

2013-03-25T23:59:59.000Z

459

STRUCTURAL CHANGE AND LEARNING WITHIN ORGANIZATIONS  

E-Print Network [OSTI]

Change and Learning Within Organizations". In Dynamics of organizational societies : Models, theories to organizational learning. This approach defines learning, culture, structure and behavior at the individual and organizational level. When organizations, as synthetic agents learn important organizational behaviors emerge

Sadeh, Norman M.

460

Modeling biomembranes.  

SciTech Connect (OSTI)

Understanding the properties and behavior of biomembranes is fundamental to many biological processes and technologies. Microdomains in biomembranes or ''lipid rafts'' are now known to be an integral part of cell signaling, vesicle formation, fusion processes, protein trafficking, and viral and toxin infection processes. Understanding how microdomains form, how they depend on membrane constituents, and how they act not only has biological implications, but also will impact Sandia's effort in development of membranes that structurally adapt to their environment in a controlled manner. To provide such understanding, we created physically-based models of biomembranes. Molecular dynamics (MD) simulations and classical density functional theory (DFT) calculations using these models were applied to phenomena such as microdomain formation, membrane fusion, pattern formation, and protein insertion. Because lipid dynamics and self-organization in membranes occur on length and time scales beyond atomistic MD, we used coarse-grained models of double tail lipid molecules that spontaneously self-assemble into bilayers. DFT provided equilibrium information on membrane structure. Experimental work was performed to further help elucidate the fundamental membrane organization principles.

Plimpton, Steven James; Heffernan, Julieanne; Sasaki, Darryl Yoshio; Frischknecht, Amalie Lucile; Stevens, Mark Jackson; Frink, Laura J. Douglas

2005-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

NONLOCAL COMPUTATIONAL METHODS APPLIED TO COMPOSITE STRUCTURES  

E-Print Network [OSTI]

to model the degradation of organic or ceramic matrix composites structures (OMC or CMC) even under simple description of heterogeneous materia ls like organic or ceramic matrix composites. New sophisticatedNONLOCAL COMPUTATIONAL METHODS APPLIED TO COMPOSITE STRUCTURES N. GERMAIN1, F. FEYEL1 and J. BESSON

Boyer, Edmond

462

Bayesian Methods for Aircraft Structural Health  

E-Print Network [OSTI]

.1 Introduction Aircraft structures, whether metallic or composite, are subject to service damage which requires on the inspection results obtained. If damage is detected from an inspection, the decision whether to repair as well dynamically, and compared to a model of the structure such that damage can be located and a determination made

Henderson, Thomas C.

463

Dynamic Structure Factor of Microemulsions  

Science Journals Connector (OSTI)

The dynamic structure factor G(k,?) is studied in a time-dependent Ginzburg-Landau model for microemulsions in thermal equilibrium by field-theoretic perturbation methods. For small viscosities, the structure factor develops a peak at a nonzero frequency ?, for fixed wavelengths of the order of the typical domain size of oil and water regions. This implies that the intermediate scattering function oscillates in time. We give a simple explanation for these temporal oscillations by considering the flow through a tube with a radius-dependent tension.

G. Gompper and M. Hennes

1994-08-22T23:59:59.000Z

464

Level structure of Fr215  

Science Journals Connector (OSTI)

The structure of Fr215 has been studied via the Pb208 (11B, 4n?)215Fr reaction at beam energies from 45 to 66 MeV. In-beam ?-ray spectroscopy techniques, including ?-ray excitation function, x-ray-? coincidence, ?-? coincidence, ?-ray angular distribution, and ?-ray linear polarization measurements were used to construct a level scheme up to a spin value J=(41/2) at an excitation energy of 3405 keV. Definite parity assignments were made up to the (39/2)- state. The structure of this nucleus is compared with that observed in the other N=128 isotopes and predictions of shell model calculations.

M. W. Drigert; J. A. Cizewski; M. S. Rosenthal

1985-07-01T23:59:59.000Z

465

Fracture of welded aluminum thin-walled structures  

E-Print Network [OSTI]

A comprehensive methodology was developed in the thesis for damage prediction of welded aluminum thin-walled structures, which includes material modeling, calibration, numerical simulation and experimental verification. ...

Zheng, Li, Ph. D. Massachusetts Institute of Technology

2006-01-01T23:59:59.000Z

466

Protein structure elucidation from computational techniques and sparse EPR data.  

E-Print Network [OSTI]

??Computational methods that allow application of electron paramagnetic resonance (EPR) spectroscopy data for protein structure prediction were developed. An implicit cone-model for the spin label… (more)

Alexander, Nathan Scott

2012-01-01T23:59:59.000Z

467

Used Nuclear Fuel Loading and Structural Performance Under Normal...  

Office of Environmental Management (EM)

Used Nuclear Fuel Loading and Structural Performance Under Normal Conditions of Transport - Modeling, Simulation and Experimental Integration RD&D Plan Used Nuclear Fuel Loading...

468

Structuring product development processes  

Science Journals Connector (OSTI)

This paper proposes operational frameworks for structuring product development processes. The primary objective of this research is to develop procedures to minimize iterations during the development process which adversely affect development time and costs. Several procedures are introduced to restructure the development process. The computation of the corresponding product development times is facilitated by two Markov models addressing different types of learning. The methodologies are employed to identify a set of managerial concerns in restructuring the product development processes. The developed framework has become an integral part of a re-engineering project for the development of rocket engines at Rocketdyne Division of Rockwell International. Throughout the paper, the methodologies are illustrated with the help of this process.

Reza Ahmadi; Thomas A. Roemer; Robert H. Wang

2001-01-01T23:59:59.000Z

469

Modeling Techniques | Open Energy Information  

Open Energy Info (EERE)

Modeling Techniques Modeling Techniques Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Modeling Techniques Details Activities (0) Areas (0) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Data and Modeling Techniques Information Provided by Technique Lithology: Rock types, rock chemistry, stratigraphic layer organization Stratigraphic/Structural: Stress fields and magnitudes, location and shape of permeable and non-permeable structures, faults, fracture patterns Hydrological: Visualization and prediction of the flow patterns and characteristics of geothermal fluids, hydrothermal fluid flow characteristics, up-flow patterns

470

Protein Puzzles and Scientific Solutions | Department of Energy  

Broader source: Energy.gov (indexed) [DOE]

Protein Puzzles and Scientific Solutions Protein Puzzles and Scientific Solutions Protein Puzzles and Scientific Solutions January 8, 2014 - 1:45pm Addthis This 3-D rendering of a lysozyme molecule shows two gadolinium atoms bound to it. Researchers soaked lysozyme crystals in a solution containing the metal gadolinium to help improve imaging quality in an experiment at SLAC's Linac Coherent Light Source (LCLS) X-ray laser. The experiment proved that LCLS can resolve the lysozyme structure without using data obtained earlier, and researchers hope to use similar techniques to reconstruct important unsolved proteins. | Photo credit: Max Planck Society. This 3-D rendering of a lysozyme molecule shows two gadolinium atoms bound to it. Researchers soaked lysozyme crystals in a solution containing the

471

9 - Structures in Matlab  

Science Journals Connector (OSTI)

This chapter explains both structures and vectors of structures in Matlab. The chapter starts by explaining the need for a structure class in programming usage and how structures can be used to improve the readability of Matlab programs. A number of examples that explain structures in Matlab are given here. The chapter concludes with the fox and rabbit game project. The reader is encouraged here to program this game using structures in order to gain an in-depth understanding of their use and value. Keywords Structures, vectors of structures, fox and rabbit game

Munther Gdeisat; Francis Lilley

2013-01-01T23:59:59.000Z

472

Magnetic structure of Coronal Mass Ejections  

E-Print Network [OSTI]

We present several models of the magnetic structure of solar coronal mass ejections (CMEs). First, we model CMEs as expanding force-free magnetic structures. While keeping the internal magnetic field structure of the stationary solutions, expansion leads to complicated internal velocities and rotation, while the field structures remain force-free. Second, expansion of a CME can drive resistive dissipation within the CME changing the ionization states of different ions. We fit in situ measurements of ion charge states to the resistive spheromak solutions. Finally, we consider magnetic field structures of fully confined stable magnetic clouds containing both toroidal and poloidal magnetic fields and having no surface current sheets. Expansion of such clouds may lead to sudden onset of reconnection events.

Lyutikov, Maxim

2012-01-01T23:59:59.000Z

473

Impact of community structure on information transfer  

E-Print Network [OSTI]

The observation that real complex networks have internal structure has important implication for dynamic processes occurring on such topologies. Here we investigate the impact of community structure on a model of information transfer able to deal with both search and congestion simultaneously. We show that networks with fuzzy community structure are more efficient in terms of packet delivery that those with pronounced community structure. We also propose an alternative packet routing algorithm which takes advantage of the knowledge of communities to improve information transfer and show that in the context of the model an intermediate level of community structure is optimal. Finally, we show that in a hierarchical network setting, providing knowledge of communities at the level of highest modularity will improve network capacity by the largest amount.

Danon, Leon; Diaz-Guilera, Albert

2007-01-01T23:59:59.000Z

474

Electronic structure and models of receptor of monooxygenase inductors from a number of polychlorinated polycyclic compounds. 3. Mndo calculations of chlorine and fluorine derivatives of dibenzo-p-dioxins  

Science Journals Connector (OSTI)

MNDO calculations for dibenzo-para-dioxin (DD) and its chlorine- and fluorine-substituted derivatives have shown that the geometric structure of the molecules and the ?-donor properties are very little depende...

A. V. Fokin; N. P. Vorob'eva; N. I. Raevskii…

1989-11-01T23:59:59.000Z

475

Earth Structure Introduction  

E-Print Network [OSTI]

Earth Structure Introduction Earth Structure (2nd Edition), 2004 W.W. Norton & Co, New York Slide show by Ben van der Pluijm © WW Norton, unless noted otherwise #12;© EarthStructure (2nd ed) 210/4/2010 Aerial views #12;© EarthStructure (2nd ed) 310/4/2010 http://www.globalchange.umich.edu/Ben/ES/ #12

476

Numerical Modeling | Open Energy Information  

Open Energy Info (EERE)

Numerical Modeling Numerical Modeling Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Numerical Modeling Details Activities (8) Areas (2) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Stratigraphic/Structural: Stress fields and magnitudes Hydrological: Visualization and prediction of the flow patterns and characteristics of geothermal fluids Thermal: Thermal conduction and convection patterns in the subsurface Dictionary.png Numerical Modeling: A computer model that is designed to simulate and reproduce the mechanisms of a particular system. Other definitions:Wikipedia Reegle

477

Structural basis of spectrin elasticity  

SciTech Connect (OSTI)

A new model of human erythrocyte {alpha}-spectrin is proposed. The secondary structure of human erythrocyte {alpha}-spectrin and its folding into a condensed structure that can convert reversibly in situ, into an elongated configuration is predicted from its deduced protein sequence. Results from conformational and amphipathicity analyses suggest that {alpha}-spectrin consists mainly of short amphipathicity helices interconnected by flexible turns and/or coils. The distribution of charges and amphipathicity of the helices can facilitate their folding into stable domains of 4 and 3 helices surrounding a hydrophobic core. The association between adjacent four- and three-helix domains further organize them into recurring seven-helix motifs that might constitute the basic structural units of the extended {alpha}-spectrin. The elongated spectrin molecule packs, in a sinusoidal fashion, through interactions between neighboring motifs into a compact structure. We suggest that the reversible extension and contraction of this sigmoidally packed structure is the molecular basis of the mechanism by which spectrin contributes to the elasticity of the red cell membrane.

Shen, B.W.; Stevens, F.J.; Luthi, U. [Argonne National Lab., IL (United States); Goldin, S.B. [Illinois Univ., Chicago, IL (United States). Dept. of Biological Chemistry

1991-10-17T23:59:59.000Z

478

Aquifer Structure Identification Using Stochastic Inversion  

SciTech Connect (OSTI)

This study presents a stochastic inverse method for aquifer structure identification using sparse geophysical and hydraulic response data. The method is based on updating structure parameters from a transition probability model to iteratively modify the aquifer structure and parameter zonation. The method is extended to the adaptive parameterization of facies hydraulic parameters by including these parameters as optimization variables. The stochastic nature of the statistical structure parameters leads to nonconvex objective functions. A multi-method genetically adaptive evolutionary approach (AMALGAM-SO) was selected to perform the inversion given its search capabilities. Results are obtained as a probabilistic assessment of facies distribution based on indicator cokriging simulation of the optimized structural parameters. The method is illustrated by estimating the structure and facies hydraulic parameters of a synthetic example with a transient hydraulic response.

Harp, Dylan R [Los Alamos National Laboratory; Dai, Zhenxue [Los Alamos National Laboratory; Wolfsberg, Andrew V [Los Alamos National Laboratory; Vrugt, Jasper A [Los Alamos National Laboratory

2008-01-01T23:59:59.000Z

479

Near quantitative agreement of model free DFT- MD predictions...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Near quantitative agreement of model free DFT- MD predictions with XAFS observations of the hydration structure of highly Near quantitative agreement of model free DFT- MD...

480

Structural Control of Hydrology, Hydrogeology and Hydrochemistry along the Eastern Escarpment of the Jordan Rift Valley, JORDAN.  

E-Print Network [OSTI]

??The relationship of structural geology and hydrogeological characteristics NW Jordan. Superior 3 phase tectonic model was derived from re-evaluation of structural elements which are strongly… (more)

Sahawneh, Julia

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


481

MCSNA: Experimental Benchmarking of Pu Electronic Structure  

SciTech Connect (OSTI)

The objective of this work is to develop and/or apply advanced diagnostics to the understanding of aging of Pu. Advanced characterization techniques such as photoelectron and x-ray absorption spectroscopy will provide fundamental data on the electronic structure of Pu phases. These data are crucial for the validation of the electronic structure methods. The fundamental goal of this project is to narrow the parameter space for the theoretical modeling of Pu aging. The short-term goal is to perform experiments to validate electronic structure calculations of Pu. The long-term goal is to determine the effects of aging upon the electronic structure of Pu. Many of the input parameters for aging models are not directly measurable. These parameters will need to be calculated or estimated. Thus a First Principles-Approach Theory is needed, but it is unclear what terms are important in the Hamiltonian. (H{Psi} = E{Psi}) Therefore, experimental data concerning the 5f electronic structure are needed, to determine which terms in the Hamiltonian are important. The data obtained in this task are crucial for reducing the uncertainty of Task LL-01-developed models and predictions. The data impact the validation of electronic structure methods, the calculation of defect properties, the evaluation of helium diffusion, and the validation of void nucleation models. The importance of these activities increases if difficulties develop with the accelerating aging alloy approach.

Tobin, J G

2007-01-29T23:59:59.000Z

482

Relevance of evolutionary history for food web structure  

Science Journals Connector (OSTI)

...Relevance of evolutionary history for food web structure Anna Eklof 1 * Matthew R. Helmus...challenges of ecology. Simple models for food web structure aim at disentangling the complexity...classification-provides valuable information on food web structure. In doing so, we measure which...

2012-01-01T23:59:59.000Z

483

Surround structured lighting: 3-D scanning with orthographic illumination  

Science Journals Connector (OSTI)

This paper presents a new system for rapidly acquiring complete 3-D surface models using a single orthographic structured light projector, a pair of planar mirrors, and one or more synchronized cameras. Using the mirrors, we project structured light ... Keywords: 3-D reconstruction, Full object scanning, Gray codes, Orthographic projection, Structured lighting

Douglas Lanman; Daniel Crispell; Gabriel Taubin

2009-11-01T23:59:59.000Z

484

Performance of Parallel Eigensolvers on Electronic Structure Calculations  

E-Print Network [OSTI]

Performance of Parallel Eigensolvers on Electronic Structure Calculations Robert C. Ward*§ , Yihua. Many models employed to solve problems in quantum mechanics, such as electronic structure calculations-Consistent Field procedure in electronic structure calculations on the distributed memory supercomputers at the Oak

Ward, Robert C.

485

Structured CSP --A Process Algebra as an Institution #  

E-Print Network [OSTI]

Structured CSP -- A Process Algebra as an Institution # Till Mossakowski 1 and Markus Roggenbach 2 Csp, one for the traces model, and one for the stable failures model. The construction is generic institution) also for Csp. With a small example we demonstrate that structuring indeed makes sense for Csp. 1

Mossakowski, Till - Deutschen Forschungszentrum für Künstliche Intelligenz & Fachbereich 3

486

Band structure of doubly-odd nuclei around mass 130  

SciTech Connect (OSTI)

Nuclear structure of the doublet bands in the doubly-odd nuclei with mass A{approx}130 is studied in terms of a pair-truncated shell model. The model reproduces quite well the energy levels of the doublet bands and the electromagnetic transitions. The analysis of the electromagnetic transitions reveals new band structure of the doublet bands.

Higashiyama, Koji [Department of Physics, Chiba Institute of Technology, Narashino, Chiba 275-0023 (Japan); Yoshinaga, Naotaka [Department of Physics, Saitama University, Saitama City 338-8570 (Japan)

2011-05-06T23:59:59.000Z

487

A New Neural Network Ranker to Evaluate Protein Structure Predictions  

E-Print Network [OSTI]

A New Neural Network Ranker to Evaluate Protein Structure Predictions Davide Ba�u and Gianluca and ranking the quality of a predicted model represents an important and difficult problem in protein three Model Quality Assessment program for protein structure prediction. The novelty of the approach relies

Pollastri, Gianluca

488

Basic model Basic model  

E-Print Network [OSTI]

Early days Basic model Literature Classical literature Bayes pre-MCMC Bayes post-MCMC Basic model systems via latent factors Hedibert Freitas Lopes Booth School of Business University of Chicago Col / 66 #12;Early days Basic model Literature Classical literature Bayes pre-MCMC Bayes post-MCMC Basic

Liu, I-Shih

489

JGI - Structural Genomics Program  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Structural Genomics Program Structural Genomics Program The structural characterization of proteins of unknown function can be described as structural genomics, an approach in which structure determination by X-ray crystallography supplies key functional information. This is exemplified by studies of the carboxysome. The structures of the first carboxysome shell proteins (Kerfeld et al., Science 2005) confirmed earlier hypotheses that they are indeed the basic building blocks of the carboxysome shell; the quaternary structure and the higher order assemblies of the proteins in the crystals provided insight into how they assemble into shell facets. Likewise, our structure of the carboxysome component CsoS3 revealed that it was a member of the beta-carbonic family, despite having no detectable sequence homology at the level of primary structure

490

Spatial Data Structures Spatial data structures describe the rules that are used to represent geographic data in geographic  

E-Print Network [OSTI]

Spatial Data Structures Spatial data structures describe the rules that are used to represent depending on those beneath it: · Conceptual spatial data models describe how geographic objects (for example, rivers) or phenomena are represented in GIS. · Logical spatial data models describe how geographic data

Stock, Kristin

491

Modeling of engine sprays  

SciTech Connect (OSTI)

Atomization and full-cone sprays from single cylindrical orifices are considered. The following subjects are reviewed: the structure of the breakup region; the structure of the far field; modern models that, given the outcome of the breakup process, compute the steady and transient of sprays; some comparisons with detailed measurements; and some practical applications. The following conclusions are reached: the spray breakup and the development regions are the most relevant in engine applications; the inner structure of the breakup region is still largely unknown; two- and three-dimensional spray models are available but remain mostly untested, particularly in their vaporization and combustion components, in part because of a lack of accurate measurements in controlled engine-type environments; engine applications of such models are, nonetheless, recommended for very valuable learning, interpretative, and exploratory studies, but not for predictions.

Bracco, F.V.

1985-01-01T23:59:59.000Z

492

Models and phenomenology  

E-Print Network [OSTI]

It is evident that models of the knee should match the observational phenomenology. In this talk I discuss a few aspects of phenomenology, which are important not only for the understanding of the knee origin, but also for the general problem of the origin of cosmic rays. Among them are the shape of the energy spectrum, its irregularity, the sharpness of the knee and its fine structure. The classification of models is given and some examples of the most recent models are discussed. The most probable conclusion deduced from this examination is that the knee has an astrophysical origin and the so called 'source' models of the knee are most likely among them.

A. D. Erlykin

2004-11-09T23:59:59.000Z

493

Modeling and computing based on lattices.  

E-Print Network [OSTI]

??This dissertation presents three studies addressing various modeling and computational aspects of lattice structures. The first study is concerned with characterization of the threshold behavior… (more)

Zhao, Haifeng, 1980-

2011-01-01T23:59:59.000Z

494

Structuring beyond architecture  

E-Print Network [OSTI]

This thesis explores the layering and negotiation of structural devices in urban settings. Its point of departure is a series of patterns of how structural design and urban design interact and overlap, from which are ...

Foxe, David M

2006-01-01T23:59:59.000Z

495

Neutron reflecting supermirror structure  

DOE Patents [OSTI]

An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. 2 figs.

Wood, J.L.

1992-12-01T23:59:59.000Z

496

Neutron reflecting supermirror structure  

DOE Patents [OSTI]

An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources.

Wood, James L. (Drayton Plains, MI)

1992-01-01T23:59:59.000Z

497

Catalytic distillation structure  

SciTech Connect (OSTI)

Catalytic distillation structure for use in reaction distillation columns, a providing reaction sites and distillation structure and consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and being present with the catalyst component in an amount such that the catalytic distillation structure consist of at least 10 volume % open space.

Smith, Jr., Lawrence A. (Bellaire, TX)

1984-01-01T23:59:59.000Z

498

Automated structure solution with the PHENIX suite  

SciTech Connect (OSTI)

Significant time and effort are often required to solve and complete a macromolecular crystal structure. The development of automated computational methods for the analysis, solution, and completion of crystallographic structures has the potential to produce minimally biased models in a short time without the need for manual intervention. The PHENIX software suite is a highly automated system for macromolecular structure determination that can rapidly arrive at an initial partial model of a structure without significant human intervention, given moderate resolution, and good quality data. This achievement has been made possible by the development of new algorithms for structure determination, maximum-likelihood molecular replacement (PHASER), heavy-atom search (HySS), template- and pattern-based automated model-building (RESOLVE, TEXTAL), automated macromolecular refinement (phenix. refine), and iterative model-building, density modification and refinement that can operate at moderate resolution (RESOLVE, AutoBuild). These algorithms are based on a highly integrated and comprehensive set of crystallographic libraries that have been built and made available to the community. The algorithms are tightly linked and made easily accessible to users through the PHENIX Wizards and the PHENIX GUI.

Terwilliger, Thomas C [Los Alamos National Laboratory; Zwart, Peter H [LBNL; Afonine, Pavel V [LBNL; Grosse - Kunstleve, Ralf W [LBNL

2008-01-01T23:59:59.000Z

499

Automated Structure Solution with the PHENIX Suite  

SciTech Connect (OSTI)

Significant time and effort are often required to solve and complete a macromolecular crystal structure. The development of automated computational methods for the analysis, solution and completion of crystallographic structures has the potential to produce minimally biased models in a short time without the need for manual intervention. The PHENIX software suite is a highly automated system for macromolecular structure determination that can rapidly arrive at an initial partial model of a structure without significant human intervention, given moderate resolution and good quality data. This achievement has been made possible by the development of new algorithms for structure determination, maximum-likelihood molecular replacement (PHASER), heavy-atom search (HySS), template and pattern-based automated model-building (RESOLVE, TEXTAL), automated macromolecular refinement (phenix.refine), and iterative model-building, density modification and refinement that can operate at moderate resolution (RESOLVE, AutoBuild). These algorithms are based on a highly integrated and comprehensive set of crystallographic libraries that have been built and made available to the community. The algorithms are tightly linked and made easily accessible to users through the PHENIX Wizards and the PHENIX GUI.

Zwart, Peter H.; Zwart, Peter H.; Afonine, Pavel; Grosse-Kunstleve, Ralf W.; Hung, Li-Wei; Ioerger, Tom R.; McCoy, A.J.; McKee, Eric; Moriarty, Nigel; Read, Randy J.; Sacchettini, James C.; Sauter, Nicholas K.; Storoni, L.C.; Terwilliger, Tomas C.; Adams, Paul D.

2008-06-09T23:59:59.000Z

500

Bifurcation structure of bubble oscillators  

Science Journals Connector (OSTI)

Methods from chaos physics are applied to a model of a driven spherical gas bubble in water to determine its dynamic properties especially its resonance behavior and bifurcation structure. The dynamic properties are described in a growing level of abstraction by radius?time curves trajectories in state space strange attractors in the Poincaré plane basins of attraction bifurcation diagrams winding number diagrams and phase diagrams. A sequence of bifurcation diagrams is given exemplifying the recurrent pattern in the bifurcation set and its relation to the resonances of the system. Period?doubling cascades to chaos and back (‘‘period bubbling’’) are a prominent recurring feature connected with each resonance (demonstrated for period?1 period?2 and period?3 resonances and observed for some higher?order resonances). The recurrent nature of the bifurcation set is most easily seen in the phase diagrams given. A similar structure of the bifurcation set has also been found for other nonlinear oscillators (Duffing Toda laser and Morse).

U. Parlitz; V. Englisch; C. Scheffczyk; W. Lauterborn

1990-01-01T23:59:59.000Z