Ethical Leadership, Leader-Member Exchange and Feedback Seeking: A Double-Moderated Mediation Model of Emotional Intelligence and Work-Unit Structure.

PubMed

Qian, Jing; Wang, Bin; Han, Zhuo; Song, Baihe

2017-01-01

This research elucidates the role of ethical leadership in employee feedback seeking by examining how and when ethical leadership may exert a positive influence on feedback seeking. Using matched reports from 64 supervisors and 265 of their immediate employees from a hotel group located in a major city in China, we proposed and tested a moderated mediation model that examines leader-member exchange (LMX) as the mediator and emotional intelligence as well as work-unit structure as double moderators in the relationships between ethical leadership and followers' feedback-seeking behavior from supervisors and coworkers. Our findings indicated that (1) LMX mediated the positive relationship between ethical leadership and feedback seeking from both ethical leaders and coworkers, and (2) emotional intelligence and work-unit structure served as joint moderators on the mediated positive relationship in such a way that the relationship was strongest when the emotional intelligence was high and work-unit structure was more of an organic structure rather than a mechanistic structure.

Application of attachment modes in the control of large space structures

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.

1989-01-01

Various ways are examined to obtain reduced order mathematical models of structures for use in dynamic response analyses and in controller design studies. Attachment modes are deflection shapes of a structure subjected to specified unit load distributions. Attachment modes are frequently employed to supplement free-interface normal modes to improve the modeling of components (structures) employed in component mode synthesis analyses. Deflection shapes of structures subjected to generalized loads of some specified distribution and of unit magnitude can also be considered to be attachment modes. Several papers which were written under this contract are summarized herein.

Molecular Modeling of Nucleic Acid Structure: Electrostatics and Solvation

PubMed Central

Bergonzo, Christina; Galindo-Murillo, Rodrigo; Cheatham, Thomas E.

2014-01-01

This unit presents an overview of computer simulation techniques as applied to nucleic acid systems, ranging from simple in vacuo molecular modeling techniques to more complete all-atom molecular dynamics treatments that include an explicit representation of the environment. The third in a series of four units, this unit focuses on critical issues in solvation and the treatment of electrostatics. UNITS 7.5 & 7.8 introduced the modeling of nucleic acid structure at the molecular level. This included a discussion of how to generate an initial model, how to evaluate the utility or reliability of a given model, and ultimately how to manipulate this model to better understand the structure, dynamics, and interactions. Subject to an appropriate representation of the energy, such as a specifically parameterized empirical force field, the techniques of minimization and Monte Carlo simulation, as well as molecular dynamics (MD) methods, were introduced as means to sample conformational space for a better understanding of the relevance of a given model. From this discussion, the major limitations with modeling, in general, were highlighted. These are the difficult issues in sampling conformational space effectively—the multiple minima or conformational sampling problems—and accurately representing the underlying energy of interaction. In order to provide a realistic model of the underlying energetics for nucleic acids in their native environments, it is crucial to include some representation of solvation (by water) and also to properly treat the electrostatic interactions. These are discussed in detail in this unit. PMID:18428877

Molecular modeling of nucleic Acid structure: electrostatics and solvation.

PubMed

Bergonzo, Christina; Galindo-Murillo, Rodrigo; Cheatham, Thomas E

2014-12-19

This unit presents an overview of computer simulation techniques as applied to nucleic acid systems, ranging from simple in vacuo molecular modeling techniques to more complete all-atom molecular dynamics treatments that include an explicit representation of the environment. The third in a series of four units, this unit focuses on critical issues in solvation and the treatment of electrostatics. UNITS 7.5 & 7.8 introduced the modeling of nucleic acid structure at the molecular level. This included a discussion of how to generate an initial model, how to evaluate the utility or reliability of a given model, and ultimately how to manipulate this model to better understand its structure, dynamics, and interactions. Subject to an appropriate representation of the energy, such as a specifically parameterized empirical force field, the techniques of minimization and Monte Carlo simulation, as well as molecular dynamics (MD) methods, were introduced as a way of sampling conformational space for a better understanding of the relevance of a given model. This discussion highlighted the major limitations with modeling in general. When sampling conformational space effectively, difficult issues are encountered, such as multiple minima or conformational sampling problems, and accurately representing the underlying energy of interaction. In order to provide a realistic model of the underlying energetics for nucleic acids in their native environments, it is crucial to include some representation of solvation (by water) and also to properly treat the electrostatic interactions. These subjects are discussed in detail in this unit. Copyright © 2014 John Wiley & Sons, Inc.

Model structure of the stream salmonid simulator (S3)—A dynamic model for simulating growth, movement, and survival of juvenile salmonids

USGS Publications Warehouse

Perry, Russell W.; Plumb, John M.; Jones, Edward C.; Som, Nicholas A.; Hetrick, Nicholas J.; Hardy, Thomas B.

2018-04-06

Fisheries and water managers often use population models to aid in understanding the effect of alternative water management or restoration actions on anadromous fish populations. We developed the Stream Salmonid Simulator (S3) to help resource managers evaluate the effect of management alternatives on juvenile salmonid populations. S3 is a deterministic stage-structured population model that tracks daily growth, movement, and survival of juvenile salmon. A key theme of the model is that river flow affects habitat availability and capacity, which in turn drives density dependent population dynamics. To explicitly link population dynamics to habitat quality and quantity, the river environment is constructed as a one-dimensional series of linked habitat units, each of which has an associated daily time series of discharge, water temperature, and usable habitat area or carrying capacity. The physical characteristics of each habitat unit and the number of fish occupying each unit, in turn, drive survival and growth within each habitat unit and movement of fish among habitat units.The purpose of this report is to outline the underlying general structure of the S3 model that is common among different applications of the model. We have developed applications of the S3 model for juvenile fall Chinook salmon (Oncorhynchus tshawytscha) in the lower Klamath River. Thus, this report is a companion to current application of the S3 model to the Trinity River (in review). The general S3 model structure provides a biological and physical framework for the salmonid freshwater life cycle. This framework captures important demographics of juvenile salmonids aimed at translating management alternatives into simulated population responses. Although the S3 model is built on this common framework, the model has been constructed to allow much flexibility in application of the model to specific river systems. The ability for practitioners to include system-specific information for the physical stream structure, survival, growth, and movement processes ensures that simulations provide results that are relevant to the questions asked about the population under study.

An artificial network model for estimating the network structure underlying partially observed neuronal signals.

PubMed

Komatsu, Misako; Namikawa, Jun; Chao, Zenas C; Nagasaka, Yasuo; Fujii, Naotaka; Nakamura, Kiyohiko; Tani, Jun

2014-01-01

Many previous studies have proposed methods for quantifying neuronal interactions. However, these methods evaluated the interactions between recorded signals in an isolated network. In this study, we present a novel approach for estimating interactions between observed neuronal signals by theorizing that those signals are observed from only a part of the network that also includes unobserved structures. We propose a variant of the recurrent network model that consists of both observable and unobservable units. The observable units represent recorded neuronal activity, and the unobservable units are introduced to represent activity from unobserved structures in the network. The network structures are characterized by connective weights, i.e., the interaction intensities between individual units, which are estimated from recorded signals. We applied this model to multi-channel brain signals recorded from monkeys, and obtained robust network structures with physiological relevance. Furthermore, the network exhibited common features that portrayed cortical dynamics as inversely correlated interactions between excitatory and inhibitory populations of neurons, which are consistent with the previous view of cortical local circuits. Our results suggest that the novel concept of incorporating an unobserved structure into network estimations has theoretical advantages and could provide insights into brain dynamics beyond what can be directly observed. Copyright © 2014 Elsevier Ireland Ltd and the Japan Neuroscience Society. All rights reserved.

Effects of unit empowerment and perceived support for professional nursing practice on unit effectiveness and individual nurse well-being: a time-lagged study.

PubMed

Spence Laschinger, Heather K; Nosko, Amanda; Wilk, Piotr; Finegan, Joan

2014-12-01

Recruitment and retention strategies have emphasized the importance of positive work environments that support professional nursing practice for sustaining the nursing workforce. Unit leadership that creates empowering workplace conditions plays a key role in establishing supportive practice environments that increase work effectiveness, and, ultimately, improves job satisfaction. To test a multi-level model examining the effect of both contextual and individual factors on individual nurse job satisfaction. At the unit level, structural empowerment and support for professional nursing practice (organizational resources) were hypothesized to be predictors of unit level effectiveness. At the individual level, core self-evaluation, and psychological empowerment (intrapersonal resources) were modeled as predictors of nurse job satisfaction one year later. Cross-level unit effects on individual nurses' job satisfaction were also examined. This study employed a longitudinal survey design with 545 staff nurses from 49 hospital units in Ontario, Canada. Participants completed a survey at two points in time (response rate of 40%) with standardized measures of the major study variables in the hypothesized model. Multilevel structural equation modeling was used to test the model. Nurses shared perceptions of structural empowerment on their units indirectly influenced their shared perceptions of unit effectiveness (Level 2) through perceived unit support for professional nursing practice, which in turn, had a significant positive direct effect on unit effectiveness (Level 2). Unit effectiveness was also strongly related to individual nurse job satisfaction one year later. At Level 1, higher core self-evaluation had a direct and indirect effect on job satisfaction through increased psychological empowerment. The results suggest that nurses' job satisfaction is influenced by a combination of individual and contextual factors demonstrating utility in considering both sources of nurses' satisfaction with their work in creating effective nursing work environments. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ethical Leadership, Leader-Member Exchange and Feedback Seeking: A Double-Moderated Mediation Model of Emotional Intelligence and Work-Unit Structure

PubMed Central

Qian, Jing; Wang, Bin; Han, Zhuo; Song, Baihe

2017-01-01

This research elucidates the role of ethical leadership in employee feedback seeking by examining how and when ethical leadership may exert a positive influence on feedback seeking. Using matched reports from 64 supervisors and 265 of their immediate employees from a hotel group located in a major city in China, we proposed and tested a moderated mediation model that examines leader-member exchange (LMX) as the mediator and emotional intelligence as well as work-unit structure as double moderators in the relationships between ethical leadership and followers’ feedback-seeking behavior from supervisors and coworkers. Our findings indicated that (1) LMX mediated the positive relationship between ethical leadership and feedback seeking from both ethical leaders and coworkers, and (2) emotional intelligence and work-unit structure served as joint moderators on the mediated positive relationship in such a way that the relationship was strongest when the emotional intelligence was high and work-unit structure was more of an organic structure rather than a mechanistic structure. PMID:28744251

Meteorite Material Model for Structural Properties

NASA Astrophysics Data System (ADS)

Agrawal, P.; Carlozzi, A. A.; Karajeh, Z. S.; Bryson, K. L.

2017-07-01

In order to prepare material models for the entire family of asteroids, meteorite units are developed for ordinary chondrites. The meteorite unit is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition.

Definition and classification of evaluation units for tertiary structure prediction in CASP12 facilitated through semi-automated metrics.

PubMed

Abriata, Luciano A; Kinch, Lisa N; Tamò, Giorgio E; Monastyrskyy, Bohdan; Kryshtafovych, Andriy; Dal Peraro, Matteo

2018-03-01

For assessment purposes, CASP targets are split into evaluation units. We herein present the official definition of CASP12 evaluation units (EUs) and their classification into difficulty categories. Each target can be evaluated as one EU (the whole target) or/and several EUs (separate structural domains or groups of structural domains). The specific scenario for a target split is determined by the domain organization of available templates, the difference in server performance on separate domains versus combination of the domains, and visual inspection. In the end, 71 targets were split into 96 EUs. Classification of the EUs into difficulty categories was done semi-automatically with the assistance of metrics provided by the Prediction Center. These metrics account for sequence and structural similarities of the EUs to potential structural templates from the Protein Data Bank, and for the baseline performance of automated server predictions. The metrics readily separate the 96 EUs into 38 EUs that should be straightforward for template-based modeling (TBM) and 39 that are expected to be hard for homology modeling and are thus left for free modeling (FM). The remaining 19 borderline evaluation units were dubbed FM/TBM, and were inspected case by case. The article also overviews structural and evolutionary features of selected targets relevant to our accompanying article presenting the assessment of FM and FM/TBM predictions, and overviews structural features of the hardest evaluation units from the FM category. We finally suggest improvements for the EU definition and classification procedures. © 2017 Wiley Periodicals, Inc.

Rapid Design and Testing of Novel Gas/liquid Contacting Devices for Post-Combustion CO 2 Capture via 3D Printing - Phase II Final Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Panaccione, Charles; Staab, Greg; Meuleman, Erik

ION has developed a mathematically driven model for a contacting device incorporating mass transfer, heat transfer, and computational fluid dynamics. This model is based upon a parametric structure for purposes of future commercialization. The most promising design from modeling was 3D printed and tested in a bench scale CO 2 capture unit and compared to commercially available structured packing tested in the same unit.

Tuning of PID controllers for boiler-turbine units.

PubMed

Tan, Wen; Liu, Jizhen; Fang, Fang; Chen, Yanqiao

2004-10-01

A simple two-by-two model for a boiler-turbine unit is demonstrated in this paper. The model can capture the essential dynamics of a unit. The design of a coordinated controller is discussed based on this model. A PID control structure is derived, and a tuning procedure is proposed. The examples show that the method is easy to apply and can achieve acceptable performance.

Emergent Feature Structures: Harmony Systems in Exemplar Models of Phonology

ERIC Educational Resources Information Center

Cole, Jennifer

2009-01-01

In exemplar models of phonology, phonotactic constraints are modeled as emergent from patterns of high activation between units that co-occur with statistical regularity, or as patterns of low activation or inhibition between units that co-occur less frequently or not at all. Exemplar models posit no a "priori" formal or representational…

Better understanding work unit goal orientation: Its emergence and impact under different types of work unit structure.

PubMed

Dragoni, Lisa; Kuenzi, Maribeth

2012-09-01

With a multisource sample comprising 1,150 employees and 230 supervisors, we investigate the effect of leader goal orientation on leader's perceptions of unit performance. We propose that a leader's goal orientation indirectly impacts performance perceptions via the shared achievement goal adopted within the unit (i.e., unit goal orientation). Further, we hypothesize that the presence and impact of unit goal orientation depend on the work unit structure. We find general support for this moderated mediation model, with the strongest evidence being associated with the learning and prove dimensions of goal orientation.

The Impact of Ignoring the Level of Nesting Structure in Nonparametric Multilevel Latent Class Models

ERIC Educational Resources Information Center

Park, Jungkyu; Yu, Hsiu-Ting

2016-01-01

The multilevel latent class model (MLCM) is a multilevel extension of a latent class model (LCM) that is used to analyze nested structure data structure. The nonparametric version of an MLCM assumes a discrete latent variable at a higher-level nesting structure to account for the dependency among observations nested within a higher-level unit. In…

A case study examination of structure and function in a state health department chronic disease unit.

PubMed

Alongi, Jeanne

2015-04-01

I explored the structural and operational practices of the chronic disease prevention and control unit of a state health department and proposed a conceptual model of structure, function, and effectiveness for future study. My exploratory case study examined 7 elements of organizational structure and practice. My interviews with staff and external stakeholders of a single chronic disease unit yielded quantitative and qualitative data that I coded by perspective, process, relationship, and activity. I analyzed these for patterns and emerging themes. Chi-square analysis revealed significant correlations among collaboration with goal ambiguity, political support, and responsiveness, and evidence-based decisions with goal ambiguity and responsiveness. Although my study design did not permit conclusions about causality, my findings suggested that some elements of the model might facilitate effectiveness for chronic disease units and should be studied further. My findings might have important implications for identifying levers around which capacity can be built that may strengthen effectiveness.

A Case Study Examination of Structure and Function in a State Health Department Chronic Disease Unit

PubMed Central

2015-01-01

Objectives. I explored the structural and operational practices of the chronic disease prevention and control unit of a state health department and proposed a conceptual model of structure, function, and effectiveness for future study. Methods. My exploratory case study examined 7 elements of organizational structure and practice. My interviews with staff and external stakeholders of a single chronic disease unit yielded quantitative and qualitative data that I coded by perspective, process, relationship, and activity. I analyzed these for patterns and emerging themes. Results. Chi-square analysis revealed significant correlations among collaboration with goal ambiguity, political support, and responsiveness, and evidence-based decisions with goal ambiguity and responsiveness. Conclusions. Although my study design did not permit conclusions about causality, my findings suggested that some elements of the model might facilitate effectiveness for chronic disease units and should be studied further. My findings might have important implications for identifying levers around which capacity can be built that may strengthen effectiveness. PMID:25689211

NMR study of methane + ethane structure I hydrate decomposition.

PubMed

Dec, Steven F; Bowler, Kristen E; Stadterman, Laura L; Koh, Carolyn A; Sloan, E Dendy

2007-05-24

The thermally activated decomposition of methane + ethane structure I hydrate was studied with use of 13C magic-angle spinning (MAS) NMR as a function of composition and temperature. The observed higher decomposition rate of large sI cages initially filled with ethane gas can be described in terms of a model where a distribution of sI unit cells exists such that a particular unit cell contains zero, one, or two methane molecules in the unit cell; this distribution of unit cells is combined to form the observed equilibrium composition. In this model, unit cells with zero methane molecules are the least stable and decompose more rapidly than those populated with one or two methane molecules leading to the observed overall faster decomposition rate of the large cages containing ethane molecules.

Three-dimensional hydrogeologic framework model of the Rio Grande transboundary region of New Mexico and Texas, USA, and northern Chihuahua, Mexico

USGS Publications Warehouse

Sweetkind, Donald S.

2017-09-08

As part of a U.S. Geological Survey study in cooperation with the Bureau of Reclamation, a digital three-dimensional hydrogeologic framework model was constructed for the Rio Grande transboundary region of New Mexico and Texas, USA, and northern Chihuahua, Mexico. This model was constructed to define the aquifer system geometry and subsurface lithologic characteristics and distribution for use in a regional numerical hydrologic model. The model includes five hydrostratigraphic units: river channel alluvium, three informal subdivisions of Santa Fe Group basin fill, and an undivided pre-Santa Fe Group bedrock unit. Model input data were compiled from published cross sections, well data, structure contour maps, selected geophysical data, and contiguous compilations of surficial geology and structural features in the study area. These data were used to construct faulted surfaces that represent the upper and lower subsurface hydrostratigraphic unit boundaries. The digital three-dimensional hydrogeologic framework model is constructed through combining faults, the elevation of the tops of each hydrostratigraphic unit, and boundary lines depicting the subsurface extent of each hydrostratigraphic unit. The framework also compiles a digital representation of the distribution of sedimentary facies within each hydrostratigraphic unit. The digital three-dimensional hydrogeologic model reproduces with reasonable accuracy the previously published subsurface hydrogeologic conceptualization of the aquifer system and represents the large-scale geometry of the subsurface aquifers. The model is at a scale and resolution appropriate for use as the foundation for a numerical hydrologic model of the study area.

Substantiation of Structure of Adaptive Control Systems for Motor Units

NASA Astrophysics Data System (ADS)

Ovsyannikov, S. I.

2018-05-01

The article describes the development of new electronic control systems, in particular motor units, for small-sized agricultural equipment. Based on the analysis of traffic control systems, the main course of development of the conceptual designs of motor units has been defined. The systems aimed to control the course motion of the motor unit in automatic mode using the adaptive systems have been developed. The article presents structural models of the conceptual motor units based on electrically controlled systems by the operation of drive motors and adaptive systems that make the motor units completely automated.

Three-dimensional model of the hydrostratigraphy and structure of the area in and around the U.S. Army-Camp Stanley Storage Activity Area, northern Bexar County, Texas

USGS Publications Warehouse

Pantea, Michael P.; Blome, Charles D.; Clark, Allan K.

2014-01-01

A three-dimensional model of the Camp Stanley Storage Activity area defines and illustrates the surface and subsurface hydrostratigraphic architecture of the military base and adjacent areas to the south and west using EarthVision software. The Camp Stanley model contains 11 hydrostratigraphic units in descending order: 1 model layer representing the Edwards aquifer; 1 model layer representing the upper Trinity aquifer; 6 model layers representing the informal hydrostratigraphic units that make up the upper part of the middle Trinity aquifer; and 3 model layers representing each, the Bexar, Cow Creek, and the top of the Hammett of the lower part of the middle Trinity aquifer. The Camp Stanley three-dimensional model includes 14 fault structures that generally trend northeast/southwest. The top of Hammett hydrostratigraphic unit was used to propagate and validate all fault structures and to confirm most of the drill-hole data. Differences between modeled and previously mapped surface geology reflect interpretation of fault relations at depth, fault relations to hydrostratigraphic contacts, and surface digital elevation model simplification to fit the scale of the model. In addition, changes based on recently obtained drill-hole data and field reconnaissance done during the construction of the model. The three-dimensional modeling process revealed previously undetected horst and graben structures in the northeastern and southern parts of the study area. This is atypical, as most faults in the area are en echelon that step down southeasterly to the Gulf Coast. The graben structures may increase the potential for controlling or altering local groundwater flow.

Unitized Stiffened Composite Textile Panels: Manufacturing, Characterization, Experiments, and Analysis

NASA Astrophysics Data System (ADS)

Kosztowny, Cyrus Joseph Robert

Use of carbon fiber textiles in complex manufacturing methods creates new implementations of structural components by increasing performance, lowering manufacturing costs, and making composites overall more attractive across industry. Advantages of textile composites include high area output, ease of handling during the manufacturing process, lower production costs per material used resulting from automation, and provide post-manufacturing assembly mainstreaming because significantly more complex geometries such as stiffened shell structures can be manufactured with fewer pieces. One significant challenge with using stiffened composite structures is stiffener separation under compression. Axial compression loading conditions have frequently observed catastrophic structural failure due to stiffeners separating from the shell skin. Characterizing stiffener separation behavior is often costly computationally and experimentally. The objectives of this research are to demonstrate unitized stiffened textile composite panels can be manufactured to produce quality test specimens, that existing characterization techniques applied to state-of-the-art high-performance composites provide valuable information in modeling such structures, that the unitized structure concept successfully removes stiffener separation as a primary structural failure mode, and that modeling textile material failure modes are sufficient to accurately capture postbuckling and final failure responses of the stiffened structures. The stiffened panels in this study have taken the integrally stiffened concept to an extent such that the stiffeners and skin are manufactured at the same time, as one single piece, and from the same composite textile layers. Stiffener separation is shown to be removed as a primary structural failure mode for unitized stiffened composite textile panels loaded under axial compression well into the postbuckling regime. Instead of stiffener separation, a material damaging and failure model effectively captures local post-peak material response via incorporating a mesoscale model using a multiscaling framework with a smeared crack element-based failure model in the macroscale stiffened panel. Material damage behavior is characterized by simple experimental tests and incorporated into the post-peak stiffness degradation law in the smeared crack implementation. Computational modeling results are in overall excellent agreement compared to the experimental responses.

Kinematics of the New Madrid seismic zone, central United States, based on stepover models

USGS Publications Warehouse

Pratt, Thomas L.

2012-01-01

Seismicity in the New Madrid seismic zone (NMSZ) of the central United States is generally attributed to a stepover structure in which the Reelfoot thrust fault transfers slip between parallel strike-slip faults. However, some arms of the seismic zone do not fit this simple model. Comparison of the NMSZ with an analog sandbox model of a restraining stepover structure explains all of the arms of seismicity as only part of the extensive pattern of faults that characterizes stepover structures. Computer models show that the stepover structure may form because differences in the trends of lower crustal shearing and inherited upper crustal faults make a step between en echelon fault segments the easiest path for slip in the upper crust. The models predict that the modern seismicity occurs only on a subset of the faults in the New Madrid stepover structure, that only the southern part of the stepover structure ruptured in the A.D. 1811–1812 earthquakes, and that the stepover formed because the trends of older faults are not the same as the current direction of shearing.

Organizational models of educational technology in U.S. and Canadian medical schools.

PubMed

Souza, Kevin H; Kamin, Carol; O'Sullivan, Patricia; Moses, Anna; Heestand, Diane

2008-07-01

To examine the organizational structure of educational technology units within U.S. and Canadian medical schools in order to (1) identify organization models that support educational technology, (2) describe key attributes of these models, and (3) discuss the strengths and challenges associated with these models. The authors distributed a survey to 88 schools that had previously provided information on their educational technology services and infrastructure. The authors developed the survey through a series of pilots and, then, from the data for each respondent school, created concept maps, which were used to identify organizational models. The authors conducted analyses to determine differences among models. The authors coded the comments about organizational models and identified themes. The authors received adequate data for analysis from 61 schools (69%). Four models for educational technology organizations emerged: (1) centralized units located in the school of medicine, (2) centralized units located at the health science center, (3) centralized units at the comprehensive university, and (4) no centralized unit (Dispersed Model). The majority (75%) of schools relied on some type of centralized organization. Whereas few organization attributes proved to be statistically significant, the centralized models have more resources devoted to educational technology and a closer alignment with the academic mission than the Dispersed Model. Medical schools primarily use central models. The authors recommend that schools structuring their educational technology resources consider exploration of a central model because of its focused use of resources to improve teaching and learning.

Codes and standards for structural wood products and their use in the United States

Treesearch

David W. Green; Roland Hernandez

1998-01-01

The system of model building codes and voluntary product standards used in the United States for structural lumber and engineered wood products can appear complicated and confusing to those introduced to it for the first time. This paper is a discussion of the various types of structural wood products commonly used in U.S. residential and commercial construction and...

Photonic band gap structure simulator

DOEpatents

Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

2006-10-03

A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

Modeling Smoke Plume-Rise and Dispersion from Southern United States Prescribed Burns with Daysmoke

Treesearch

G L Achtemeier; S L Goodrick; Y Liu; F Garcia-Menendez; Y Hu; M. Odman

2011-01-01

We present Daysmoke, an empirical-statistical plume rise and dispersion model for simulating smoke from prescribed burns. Prescribed fires are characterized by complex plume structure including multiple-core updrafts which makes modeling with simple plume models difficult. Daysmoke accounts for plume structure in a three-dimensional veering/sheering atmospheric...

Mechanical behavior of regular open-cell porous biomaterials made of diamond lattice unit cells.

PubMed

Ahmadi, S M; Campoli, G; Amin Yavari, S; Sajadi, B; Wauthle, R; Schrooten, J; Weinans, H; Zadpoor, A A

2014-06-01

Cellular structures with highly controlled micro-architectures are promising materials for orthopedic applications that require bone-substituting biomaterials or implants. The availability of additive manufacturing techniques has enabled manufacturing of biomaterials made of one or multiple types of unit cells. The diamond lattice unit cell is one of the relatively new types of unit cells that are used in manufacturing of regular porous biomaterials. As opposed to many other types of unit cells, there is currently no analytical solution that could be used for prediction of the mechanical properties of cellular structures made of the diamond lattice unit cells. In this paper, we present new analytical solutions and closed-form relationships for predicting the elastic modulus, Poisson׳s ratio, critical buckling load, and yield (plateau) stress of cellular structures made of the diamond lattice unit cell. The mechanical properties predicted using the analytical solutions are compared with those obtained using finite element models. A number of solid and porous titanium (Ti6Al4V) specimens were manufactured using selective laser melting. A series of experiments were then performed to determine the mechanical properties of the matrix material and cellular structures. The experimentally measured mechanical properties were compared with those obtained using analytical solutions and finite element (FE) models. It has been shown that, for small apparent density values, the mechanical properties obtained using analytical and numerical solutions are in agreement with each other and with experimental observations. The properties estimated using an analytical solution based on the Euler-Bernoulli theory markedly deviated from experimental results for large apparent density values. The mechanical properties estimated using FE models and another analytical solution based on the Timoshenko beam theory better matched the experimental observations. Copyright © 2014 Elsevier Ltd. All rights reserved.

On the interaction of solutes with grain boundaries

DOE PAGES

Dingreville, Remi Philippe Michel; Berbenni, Stephane

2015-11-01

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

On the interaction of solutes with grain boundaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dingreville, Remi Philippe Michel; Berbenni, Stephane

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

A united event grand canonical Monte Carlo study of partially doped polyaniline

DOE Office of Scientific and Technical Information (OSTI.GOV)

Byshkin, M. S., E-mail: mbyshkin@unisa.it, E-mail: gmilano@unisa.it; Correa, A.; Buonocore, F.

2013-12-28

A Grand Canonical Monte Carlo scheme, based on united events combining protonation/deprotonation and insertion/deletion of HCl molecules is proposed for the generation of polyaniline structures at intermediate doping levels between 0% (PANI EB) and 100% (PANI ES). A procedure based on this scheme and subsequent structure relaxations using molecular dynamics is described and validated. Using the proposed scheme and the corresponding procedure, atomistic models of amorphous PANI-HCl structures were generated and studied at different doping levels. Density, structure factors, and solubility parameters were calculated. Their values agree well with available experimental data. The interactions of HCl with PANI have beenmore » studied and distribution of their energies has been analyzed. The procedure has also been extended to the generation of PANI models including adsorbed water and the effect of inclusion of water molecules on PANI properties has also been modeled and discussed. The protocol described here is general and the proposed United Event Grand Canonical Monte Carlo scheme can be easily extended to similar polymeric materials used in gas sensing and to other systems involving adsorption and chemical reactions steps.« less

Failure mechanisms of additively manufactured porous biomaterials: Effects of porosity and type of unit cell.

PubMed

Kadkhodapour, J; Montazerian, H; Darabi, A Ch; Anaraki, A P; Ahmadi, S M; Zadpoor, A A; Schmauder, S

2015-10-01

Since the advent of additive manufacturing techniques, regular porous biomaterials have emerged as promising candidates for tissue engineering scaffolds owing to their controllable pore architecture and feasibility in producing scaffolds from a variety of biomaterials. The architecture of scaffolds could be designed to achieve similar mechanical properties as in the host bone tissue, thereby avoiding issues such as stress shielding in bone replacement procedure. In this paper, the deformation and failure mechanisms of porous titanium (Ti6Al4V) biomaterials manufactured by selective laser melting from two different types of repeating unit cells, namely cubic and diamond lattice structures, with four different porosities are studied. The mechanical behavior of the above-mentioned porous biomaterials was studied using finite element models. The computational results were compared with the experimental findings from a previous study of ours. The Johnson-Cook plasticity and damage model was implemented in the finite element models to simulate the failure of the additively manufactured scaffolds under compression. The computationally predicted stress-strain curves were compared with the experimental ones. The computational models incorporating the Johnson-Cook damage model could predict the plateau stress and maximum stress at the first peak with less than 18% error. Moreover, the computationally predicted deformation modes were in good agreement with the results of scaling law analysis. A layer-by-layer failure mechanism was found for the stretch-dominated structures, i.e. structures made from the cubic unit cell, while the failure of the bending-dominated structures, i.e. structures made from the diamond unit cells, was accompanied by the shearing bands of 45°. Copyright © 2015 Elsevier Ltd. All rights reserved.

Frame of Reference Model of Self-Concept and Locus of Control: A Cross Gender Study in the United Arab Emirates.

ERIC Educational Resources Information Center

Abu-Hilal, Maher M.

A study tested predictions for I/E (internal external) frame of reference model and extended this model to include locus of control. A sample of upper elementary (n=181) and junior high (n=191) students in the United Arab Emirates participated in the study. Structural equation modeling (SEM) analyses provided support to the external comparison…

Comparative Protein Structure Modeling Using MODELLER

PubMed Central

Webb, Benjamin; Sali, Andrej

2016-01-01

Comparative protein structure modeling predicts the three-dimensional structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target-template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and how to use the ModBase database of such models, and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. PMID:27322406

Favoured local structures in liquids and solids: a 3D lattice model.

PubMed

Ronceray, Pierre; Harrowell, Peter

2015-05-07

We investigate the connection between the geometry of Favoured Local Structures (FLS) in liquids and the associated liquid and solid properties. We introduce a lattice spin model - the FLS model on a face-centered cubic lattice - where this geometry can be arbitrarily chosen among a discrete set of 115 possible FLS. We find crystalline groundstates for all choices of a single FLS. Sampling all possible FLS's, we identify the following trends: (i) low symmetry FLS's produce larger crystal unit cells but not necessarily higher energy groundstates, (ii) chiral FLS's exhibit peculiarly poor packing properties, (iii) accumulation of FLS's in supercooled liquids is linked to large crystal unit cells, and (iv) low symmetry FLS's tend to find metastable structures on cooling.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.

PubMed

Wall, Michael E

2018-03-01

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.

A framework for performance measurement in university using extended network data envelopment analysis (DEA) structures

NASA Astrophysics Data System (ADS)

Kashim, Rosmaini; Kasim, Maznah Mat; Rahman, Rosshairy Abd

2015-12-01

Measuring university performance is essential for efficient allocation and utilization of educational resources. In most of the previous studies, performance measurement in universities emphasized the operational efficiency and resource utilization without investigating the university's ability to fulfill the needs of its stakeholders and society. Therefore, assessment of the performance of university should be separated into two stages namely efficiency and effectiveness. In conventional DEA analysis, a decision making unit (DMU) or in this context, a university is generally treated as a black-box which ignores the operation and interdependence of the internal processes. When this happens, the results obtained would be misleading. Thus, this paper suggest an alternative framework for measuring the overall performance of a university by incorporating both efficiency and effectiveness and applies network DEA model. The network DEA models are recommended because this approach takes into account the interrelationship between the processes of efficiency and effectiveness in the system. This framework also focuses on the university structure which is expanded from the hierarchical to form a series of horizontal relationship between subordinate units by assuming both intermediate unit and its subordinate units can generate output(s). Three conceptual models are proposed to evaluate the performance of a university. An efficiency model is developed at the first stage by using hierarchical network model. It is followed by an effectiveness model which take output(s) from the hierarchical structure at the first stage as a input(s) at the second stage. As a result, a new overall performance model is proposed by combining both efficiency and effectiveness models. Thus, once this overall model is realized and utilized, the university's top management can determine the overall performance of each unit more accurately and systematically. Besides that, the result from the network DEA model can give a superior benchmarking power over the conventional models.

Making Connections by Using Molecular Models in Geometry.

ERIC Educational Resources Information Center

Pacyga, Robert

1995-01-01

Describes two activities to analyze unit-cell structures from a geometric viewpoint and invites students to apply their mathematical understanding to scientific phenomena. Students form models of the simple cube, a building block of crystalline structures, and a methane molecule. (MKR)

A cascaded neuro-computational model for spoken word recognition

NASA Astrophysics Data System (ADS)

Hoya, Tetsuya; van Leeuwen, Cees

2010-03-01

In human speech recognition, words are analysed at both pre-lexical (i.e., sub-word) and lexical (word) levels. The aim of this paper is to propose a constructive neuro-computational model that incorporates both these levels as cascaded layers of pre-lexical and lexical units. The layered structure enables the system to handle the variability of real speech input. Within the model, receptive fields of the pre-lexical layer consist of radial basis functions; the lexical layer is composed of units that perform pattern matching between their internal template and a series of labels, corresponding to the winning receptive fields in the pre-lexical layer. The model adapts through self-tuning of all units, in combination with the formation of a connectivity structure through unsupervised (first layer) and supervised (higher layers) network growth. Simulation studies show that the model can achieve a level of performance in spoken word recognition similar to that of a benchmark approach using hidden Markov models, while enabling parallel access to word candidates in lexical decision making.

Material Modeling of Stony Meteorites for Mechanical Properties

NASA Astrophysics Data System (ADS)

Agrawal, P.

2016-12-01

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects (other than synthetic meteorites) from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Due to limited number of meteorites available for testing it is difficult to develop a material model that can be purely based on statistics from the test data. Therefore, we are developing computational models to determine the effective material properties of stony meteorites and in turn deduce the properties of asteroids. The internal structure of meteorites are very complex. They consists of several minerals that include the silica based materials such as Olivine, Pyroxene, Feldspar that are found in terrestrial rocks, as well as Fe-Ni based minerals such as Kamacite, Troilite and Taenite that are unique to meteorites. Each of these minerals have different densities and mechanical properties. In addition, the meteorites have different phases that can be summarized as chondrules, metal and matrix. The meteorites have varying degree of porosity and pre-cracked structure. In order to account for diverse petrology of the meteorites a unique methodology is developed the form of unit cell model. The unit cell is representative volume that accounts for diverse minerals, porosity, and matrix composition inside a meteorite. All the minerals and phases inside these unit cells are randomly distributed. Several hundreds of Monte-Carlo simulations are performed to generate the effective mechanical properties such as Young's Modulus and Poisson's Ratio of the unit cell. Stress-strain curves as well as strength estimates are generated based on the unit cell models. These estimates will used as material models for full scale modeling of atmospheric entry for asteroids. Terrestrial analogs such as Basalt and Gabbro are being used to validate the unit cell methodology. Structural tests are also being performed on some of the meteorites including Tamdakht and Mbole to validate the predictions from unit cell models.

Complementary ab initio and X-ray nanodiffraction studies of Ta2O5

PubMed Central

Hollerweger, R.; Holec, D.; Paulitsch, J.; Bartosik, M.; Daniel, R.; Rachbauer, R.; Polcik, P.; Keckes, J.; Krywka, C.; Euchner, H.; Mayrhofer, P.H.

2015-01-01

The complex structure of Ta2O5 led to the development of various structural models. Among them, superstructures represent the most stable configurations. However, their formation requires kinetic activity and long-range ordering processes, which are hardly present during physical vapor deposition. Based on nano-beam X-ray diffraction and concomitant ab initio studies, a new metastable orthorhombic basic structure is introduced for Ta2O5 with lattice parameters a = 6.425 Å, b = 3.769 Å and c = 7.706 Å. The unit cell containing only 14 atoms, i.e. two formula unit blocks in the c direction, is characterized by periodically alternating the occupied oxygen site between two possible positions in succeeding 002-planes. This structure can be described by the space group 53 (Pncm) with four Wyckoff positions, and exhibits an energy of formation of −3.209 eV atom−1. Among all the reported basic structures, its energy of formation is closest to those of superstructures. Furthermore, this model exhibits a 2.5 eV band gap, which is closer to experimental data than the band gap of any other basic-structure model. The sputtered Ta2O5 films develop only a superstructure if annealed at temperatures >800 °C in air or vacuum. Based on these results and the conveniently small unit cell size, it is proposed that the basic-structure model described here is an ideal candidate for both structure and electronic state descriptions of orthorhombic Ta2O5 materials. PMID:25642136

Composition Formulas of Inorganic Compounds in Terms of Cluster Plus Glue Atom Model.

PubMed

Ma, Yanping; Dong, Dandan; Wu, Aimin; Dong, Chuang

2018-01-16

The present paper attempts to identify the molecule-like structural units in inorganic compounds, by applying the so-called "cluster plus glue atom model". This model, originating from metallic glasses and quasi-crystals, describes any structure in terms of a nearest-neighbor cluster and a few outer-shell glue atoms, expressed in the cluster formula [cluster](glue atoms). Similar to the case for normal molecules where the charge transfer occurs within the molecule to meet the commonly known octet electron rule, the octet state is reached after matching the nearest-neighbor cluster with certain outer-shell glue atoms. These kinds of structural units contain information on local atomic configuration, chemical composition, and electron numbers, just as for normal molecules. It is shown that the formulas of typical inorganic compounds, such as fluorides, oxides, and nitrides, satisfy a similar octet electron rule, with the total number of valence electrons per unit formula being multiples of eight.

Magnetic and thermodynamic properties of Ising model with borophene structure in a longitudinal magnetic field

NASA Astrophysics Data System (ADS)

Shi, Kaile; Jiang, Wei; Guo, Anbang; Wang, Kai; Wu, Chuang

2018-06-01

The magnetic and thermodynamic properties of borophene structure have been studied for the first time by Monte Carlo simulation. Two-dimensional borophene structure consisting of seven hexagonal B36 units is described by Ising model. Each B36 basic unit includes three benzene-like with spin-3/2. The general formula for the borophene structure is given. The numerical results of the magnetization, the magnetic susceptibility, the internal energy and the specific heat are studied with various parameters. The possibility to test the predicted magnetism in experiment are illustrated, for instance, the maximum on the magnetization curve. The multiple hysteresis loops and the magnetization plateaus are sensitive to the ferromagnetic or ferrimagnetic exchange coupling in borophene structure. The results show the borophene structure could have applications in spintronics, which deserves further studies in experiments.

Evaluating the importance of characterizing soil structure and horizons in parameterizing a hydrologic process model

USGS Publications Warehouse

Mirus, Benjamin B.

2015-01-01

Incorporating the influence of soil structure and horizons into parameterizations of distributed surface water/groundwater models remains a challenge. Often, only a single soil unit is employed, and soil-hydraulic properties are assigned based on textural classification, without evaluating the potential impact of these simplifications. This study uses a distributed physics-based model to assess the influence of soil horizons and structure on effective parameterization. This paper tests the viability of two established and widely used hydrogeologic methods for simulating runoff and variably saturated flow through layered soils: (1) accounting for vertical heterogeneity by combining hydrostratigraphic units with contrasting hydraulic properties into homogeneous, anisotropic units and (2) use of established pedotransfer functions based on soil texture alone to estimate water retention and conductivity, without accounting for the influence of pedon structures and hysteresis. The viability of this latter method for capturing the seasonal transition from runoff-dominated to evapotranspiration-dominated regimes is also tested here. For cases tested here, event-based simulations using simplified vertical heterogeneity did not capture the state-dependent anisotropy and complex combinations of runoff generation mechanisms resulting from permeability contrasts in layered hillslopes with complex topography. Continuous simulations using pedotransfer functions that do not account for the influence of soil structure and hysteresis generally over-predicted runoff, leading to propagation of substantial water balance errors. Analysis suggests that identifying a dominant hydropedological unit provides the most acceptable simplification of subsurface layering and that modified pedotransfer functions with steeper soil-water retention curves might adequately capture the influence of soil structure and hysteresis on hydrologic response in headwater catchments.

Modelling the role of basement block rotation and strike-slip faulting on structural pattern in the cover units of fold-and-thrust belts

NASA Astrophysics Data System (ADS)

Koyi, Hemin; Nilfouroushan, Faramarz; Hessami, Khaled

2015-04-01

A series of scaled analogue models are run to study the degree of coupling between basement block kinematics and cover deformation. In these models, rigid basal blocks were rotated about vertical axis in a "bookshelf" fashion, which caused strike-slip faulting along the blocks and, to some degrees, in the overlying cover units of loose sand. Three different combinations of cover basement deformations are modeled; cover shortening prior to basement fault movement; basement fault movement prior to shortening of cover units; and simultaneous cover shortening with basement fault movement. Model results show that the effect of basement strike-slip faults depends on the timing of their reactivation during the orogenic process. Pre- and syn-orogen basement strike-slip faults have a significant impact on the structural pattern of the cover units, whereas post-orogenic basement strike-slip faults have less influence on the thickened hinterland of the overlying fold-and-thrust belt. The interaction of basement faulting and cover shortening results in formation of rhomb features. In models with pre- and syn-orogen basement strike-slip faults, rhomb-shaped cover blocks develop as a result of shortening of the overlying cover during basement strike-slip faulting. These rhombic blocks, which have resemblance to flower structures, differ in kinematics, genesis and structural extent. They are bounded by strike-slip faults on two opposite sides and thrusts on the other two sides. In the models, rhomb-shaped cover blocks develop as a result of shortening of the overlying cover during basement strke-slip faulting. Such rhomb features are recognized in the Alborz and Zagros fold-and-thrust belts where cover units are shortened simultaneously with strike-slip faulting in the basement. Model results are also compared with geodetic results obtained from combination of all available GPS velocities in the Zagros and Alborz FTBs. Geodetic results indicate domains of clockwise and anticlockwise rotation in these two FTBs. The typical pattern of structures and their spatial distributions are used to suggest clockwise block rotation of basement blocks about vertical axes and their associated strike-slip faulting in both west-central Alborz and the southeastern part of the Zagros fold-and-thrust belt.

Assessing effects of structural zeros on models of canine cancer incidence: a case study of the Swiss Canine Cancer Registry.

PubMed

Boo, Gianluca; Leyk, Stefan; Fabrikant, Sara Irina; Pospischil, Andreas; Graf, Ramona

2017-05-11

Epidemiological research of canine cancers could inform comparative studies of environmental determinants for a number of human cancers. However, such an approach is currently limited because canine cancer data sources are still few in number and often incomplete. Incompleteness is typically due to under-ascertainment of canine cancers. A main reason for this is because dog owners commonly do not seek veterinary care for this diagnosis. Deeper knowledge on under-ascertainment is critical for modelling canine cancer incidence, as an indication of zero incidence might originate from the sole absence of diagnostic examinations within a given sample unit. In the present case study, we investigated effects of such structural zeros on models of canine cancer incidence. In doing so, we contrasted two scenarios for modelling incidence data retrieved from the Swiss Canine Cancer Registry. The first scenario was based on the complete enumeration of incidence data for all Swiss municipal units. The second scenario was based on a filtered sample that systematically discarded structural zeros in those municipal units where no diagnostic examination had been performed. By means of cross-validation, we assessed and contrasted statistical performance and predictive power of the two modelling scenarios. This analytical step allowed us to demonstrate that structural zeros impact on the generalisability of the model of canine cancer incidence, thus challenging future comparative studies of canine and human cancers. The results of this case study show that increased awareness about the effects of structural zeros is critical to epidemiological research.

Tectono-stratigraphy and low-grade metamorphism of Late Permian and Early Jurassic accretionary complexes within the Kurosegawa belt, Southwest Japan: Implications for mechanisms of crustal displacement within active continental margin

NASA Astrophysics Data System (ADS)

Hara, Hidetoshi; Kurihara, Toshiyuki; Mori, Hiroshi

2013-04-01

We characterize the tectono-stratigraphic architecture and low-grade metamorphism of the accretionary complex preserved in the Kurosegawa belt of the Kitagawa district in eastern Shikoku, Southwest Japan, in order to understand its internal structure, tectono-metamorphic evolution, and assessments of displacement of continental fragments within the complex. We report the first ever documented occurrence of an Early Jurassic radiolarian assemblage within the accretionary complex of the Kurosegawa belt that has been previously classified as the Late Permian accretionary complex, thus providing a revised age interpretation for these rocks. The accretionary complex is subdivided into four distinct tectono-stratigraphic units: Late Permian mélange and phyllite units, and Early Jurassic mélange and sandstone units. The stratigraphy of these four units is structurally repeated due to an E-W striking, steeply dipping regional fault. We characterized low-grade metamorphism of the accretionary complex via illite crystallinity and Raman spectroscopy of carbonaceous material. The estimated pattern of low-grade metamorphism showed pronounced variability within the complex and revealed no discernible spatial trends. The primary thermal structure in these rocks was overprinted by later tectonic events. Based on geological and thermal structure, we conclude that continental fragments within the Kurosegawa belt were structurally translated into both the Late Permian and Early Jurassic accretionary complexes, which comprise a highly deformed zone affected by strike-slip tectonics during the Early Cretaceous. Different models have been proposed to explain the initial structural evolution of the Kurosegawa belt (i.e., micro-continent collision and klippe tectonic models). Even if we presuppose either model, the available geological evidence requires a new interpretation, whereby primary geological structures are overprinted and reconfigured by later tectonic events.

Demand for resident hunting in the southeastern United States

Treesearch

Neelam Poudyal; Seong Hoon Cho; J. Michael Bowker

2008-01-01

We modeled hunting demand among resident hunters in the Southeastern United States. Our model revealed that future hunting demand will likely decline in this region. Population growth in the region will increase demand but structural change in the region's demography (e.g., "browning" and "aging "), along with declining forestland access will...

A structural econometric model of family valuation and choice of employer-sponsored health insurance in the United States.

PubMed

Vanness, David J

2003-09-01

This paper estimates a fully structural unitary household model of employment and health insurance decisions for dual wage-earner families with children in the United States, using data from the 1987 National Medical Expenditure Survey. Families choose hours of work and the breakdown of compensation between cash wages and health insurance benefits for each wage earner in order to maximize expected utility under uncertain need for medical care. Heterogeneous demand for the employer-sponsored health insurance is thus generated directly from variations in health status and earning potential. The paper concludes by discussing the benefits of using structural models for simulating welfare effects of insurance reform relative to the costly assumptions that must be imposed for identification. Copyright 2003 John Wiley & Sons, Ltd.

Implementing the dynamic appraisal of situational aggression in mental health units.

PubMed

Lantta, Tella; Daffern, Michael; Kontio, Raija; Välimäki, Maritta

2015-01-01

The aims of this study are to explain the intervention of implementing a structured violence risk assessment procedure in mental health inpatient units using the Ottawa Model of Research Use (OMRU) as a guiding framework and to consider nurses' perspectives of its clinical utility and implementation process. Patient aggression toward staff is a global concern in mental health units. The limited extant literature exploring the use of structured violence risk assessments in mental health units, although small and inconsistent, reveals some positive impacts on the incidence of aggression and staff's use of restrictive interventions. Although numerous violence risk assessment instruments have been developed and tested, their systematic implementation and use are still limited. A project titled "Safer Working Management" (111298) was conducted in a Finnish hospital district, across 3 mental health units. The 6 steps of OMRU were followed during implementation of the Dynamic Appraisal of Situational Aggression (DASA). Nurses' views toward structured violence risk assessment procedures varied. Although implementation of the DASA was seen as a useful method to increase discussions with patients and nursing staff, some staff preferred their own clinical judgment for assessment of violence risk. It is possible to use a specific model to promote the implementation of risk assessment instruments in mental health units. However, the complex mental health inpatient environment and the difficulties in understanding and managing aggressive patients present challenges for the implementation of structured violence risk assessment methods. The OMRU provides a tool for clinical nurse specialists to guide implementation process in mental health units. Clinical nurse specialists must promote training for staff regarding use of new innovations, such as the DASA. Implementation processes should be reviewed so that clinical nurse specialists can lead and support mental health staff to properly use structured violence risk assessment measures.

The Role of the Sheffield Model on the Minimum Unit Pricing of Alcohol Debate: The Importance of a Rhetorical Perspective

ERIC Educational Resources Information Center

Katikireddi, Srinivasa Vittal; Hilton, Shona; Bond, Lyndal

2016-01-01

The minimum unit pricing (MUP) alcohol policy debate has been informed by the Sheffield model, a study which predicts impacts of different alcohol pricing policies. This paper explores the Sheffield model's influences on the policy debate by drawing on 36 semi-structured interviews with policy actors who were involved in the policy debate.…

Context matters: the impact of unit leadership and empowerment on nurses' organizational commitment.

PubMed

Laschinger, Heather K Spence; Finegan, Joan; Wilk, Piotr

2009-05-01

The aim of this study was to test a multilevel model linking unit-level leader-member exchange quality and structural empowerment to nurses' psychological empowerment and organizational commitment at the individual level of analysis. Few studies have examined the contextual effects of unit leadership on individual nurse outcomes. Workplace empowerment has been related to retention outcomes such as organizational commitment in several studies, but few have studied the impact of specific unit characteristics within which nurses work on these outcomes. We surveyed 3,156 nurses in 217 hospital units to test the multilevel model. A multilevel path analysis revealed significant individual and contextual effects on nurses' organizational commitment. Both unit-level leader-member exchange quality and structural empowerment had significant direct effects on individual-level psychological empowerment and organizational commitment. Psychological empowerment mediated the relationship between core self-evaluations and organizational commitment at the individual level of analysis. The contextual effects of positive supervisor relationships and their influence on empowering working conditions at the unit level and, subsequently, nurses' organizational commitment highlight the importance of leadership for creating conditions that result in a committed nursing workforce.

Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube

ERIC Educational Resources Information Center

Sein, Lawrence T., Jr.; Sein, Sarajane E.

2015-01-01

A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…

Modélisation magnétotellurique de la structure géologique profonde de l’unité granulitique de l’In Ouzzal (Hoggar occidental)

NASA Astrophysics Data System (ADS)

Bouzid, Abderrezak; Akacem, Nouredine; Hamoudi, Mohamed; Ouzegane, Khadidja; Abtout, Abdeslam; Kienast, Jean-Robert

2008-11-01

Magnetotelluric modeling of the deep geologic structure of In Ouzzal Granulitic Unit (western Hoggar). The In Ouzzal Granulitic Unit (IOGU) or In Ouzzal Terrane (IOT) is an Archaean block belonging to the Hoggar terrane mosaic. It has been reworked during the Eburnean and is characterized by ultrahigh temperature metamorphism of the structures, which are likely to be old dome and basin structures. The aim of this study, based on a survey of 12 magnetotelluric (MT) soundings, was to characterize the IOGU deep lateral boundaries and to see if it is possible to reconstruct some of these old dome and basin structures after their transformation by metamorphism and deformation. MT data analysis and modeling show that IOGU boundaries extend downwards, at least down to the crust's basement, and may represent suture zones. Inside the terrane, the MT observations do not allow separation between dome and basin structures, because these features are severely stretched. However, the main MT transverse response feature is a deeply rooted great accident, which may be interpreted as a major fault that separates IOGU into two compartments.

Molecular structure of dextran sulphate sodium in aqueous environment

NASA Astrophysics Data System (ADS)

Yu, Miao; Every, Hayley A.; Jiskoot, Wim; Witkamp, Geert-Jan; Buijs, Wim

2018-03-01

Here we propose a 3D-molecular structural model for dextran sulphate sodium (DSS) in a neutral aqueous environment based on the results of a molecular modelling study. The DSS structure is dominated by the stereochemistry of the 1,6-linked α-glucose units and the presence of two sulphate groups on each α-glucose unit. The structure of DSS can be best described as a helix with various patterns of di-sulphate substitution on the glucose rings. The presence of a side chain does not alter the 3D-structure of the linear main chain much, but affects the overall spatial dimension of the polymer. The simulated polymers have a diameter similar to or in some cases even larger than model α-hemolysin nano-pores for macromolecule transport in many biological processes, indicating a size-limited translocation through such pores. All results of the molecular modelling study are in line with previously reported experimental data. This study establishes the three-dimensional structure of DSS and summarizes the spatial dimension of the polymer, serving as the basis for a better understanding on the molecular level of DSS-involved electrostatic interaction processes with biological components like proteins and cell pores.

Ads' click-through rates predicting based on gated recurrent unit neural networks

NASA Astrophysics Data System (ADS)

Chen, Qiaohong; Guo, Zixuan; Dong, Wen; Jin, Lingzi

2018-05-01

In order to improve the effect of online advertising and to increase the revenue of advertising, the gated recurrent unit neural networks(GRU) model is used as the ads' click through rates(CTR) predicting. Combined with the characteristics of gated unit structure and the unique of time sequence in data, using BPTT algorithm to train the model. Furthermore, by optimizing the step length algorithm of the gated unit recurrent neural networks, making the model reach optimal point better and faster in less iterative rounds. The experiment results show that the model based on the gated recurrent unit neural networks and its optimization of step length algorithm has the better effect on the ads' CTR predicting, which helps advertisers, media and audience achieve a win-win and mutually beneficial situation in Three-Side Game.

Formation of integrated structural units using the systematic and integrated method when implementing high-rise construction projects

NASA Astrophysics Data System (ADS)

Abramov, Ivan

2018-03-01

Development of design documentation for a future construction project gives rise to a number of issues with the main one being selection of manpower for structural units of the project's overall implementation system. Well planned and competently staffed integrated structural construction units will help achieve a high level of reliability and labor productivity and avoid negative (extraordinary) situations during the construction period eventually ensuring improved project performance. Research priorities include the development of theoretical recommendations for enhancing reliability of a structural unit staffed as an integrated construction crew. The author focuses on identification of destabilizing factors affecting formation of an integrated construction crew; assessment of these destabilizing factors; based on the developed mathematical model, highlighting the impact of these factors on the integration criterion with subsequent identification of an efficiency and reliability criterion for the structural unit in general. The purpose of this article is to develop theoretical recommendations and scientific and methodological provisions of an organizational and technological nature in order to identify a reliability criterion for a structural unit based on manpower integration and productivity criteria. With this purpose in mind, complex scientific tasks have been defined requiring special research, development of corresponding provisions and recommendations based on the system analysis findings presented herein.

Deciphering structural and temporal interplays during the architectural development of mango trees.

PubMed

Dambreville, Anaëlle; Lauri, Pierre-Éric; Trottier, Catherine; Guédon, Yann; Normand, Frédéric

2013-05-01

Plant architecture is commonly defined by the adjacency of organs within the structure and their properties. Few studies consider the effect of endogenous temporal factors, namely phenological factors, on the establishment of plant architecture. This study hypothesized that, in addition to the effect of environmental factors, the observed plant architecture results from both endogenous structural and temporal components, and their interplays. Mango tree, which is characterized by strong phenological asynchronisms within and between trees and by repeated vegetative and reproductive flushes during a growing cycle, was chosen as a plant model. During two consecutive growing cycles, this study described vegetative and reproductive development of 20 trees submitted to the same environmental conditions. Four mango cultivars were considered to assess possible cultivar-specific patterns. Integrative vegetative and reproductive development models incorporating generalized linear models as components were built. These models described the occurrence, intensity, and timing of vegetative and reproductive development at the growth unit scale. This study showed significant interplays between structural and temporal components of plant architectural development at two temporal scales. Within a growing cycle, earliness of bud burst was highly and positively related to earliness of vegetative development and flowering. Between growing cycles, flowering growth units delayed vegetative development compared to growth units that did not flower. These interplays explained how vegetative and reproductive phenological asynchronisms within and between trees were generated and maintained. It is suggested that causation networks involving structural and temporal components may give rise to contrasted tree architectures.

Summary of the San Juan structural basin regional aquifer-system analysis, New Mexico, Colorado, Arizona, and Utah

USGS Publications Warehouse

Levings, G.W.; Kernodle, J.M.; Thorn, C.R.

1996-01-01

Ground-water resources are the only source of water in most of the San Juan structural basin and are mainly used for municipal, industrial, domestic, and stock purposes. Industrial use increased dramatically during the late 1970's and early 1980's because of increased exploration and development of uranium and coal resources. The San Juan structural basin is a northwest-trending, asymmetric structural depression at the eastern edge of the Colorado Plateau. The basin contains as much as 14,000 feet of sedimentary rocks overlying a Precambrian basement complex. The sedimentary rocks dip basinward from the basin margins toward the troughlike structural center, or deepest part of the basin. Rocks of Triassic age were selected as the lower boundary for the study. The basin is well defined by structural boundaries in many places with structural relief of as much as 20,000 feet reported. Faulting is prevalent in parts of the basin with displacement of several thousand feet along major faults. The regional aquifers in the basin generally are coincident with the geologic units that have been mapped. Data on the hydrologic properties of the regional aquifers are minimal. Most data were collected on those aquifers associated with uranium and coal resource production. These data are summarized in table format in the report. The regional flow system throughout most of the basin has been affected by the production of oil or gas and subsequent disposal of produced brine. To date more than 26,000 oil- or gas- test holes have been drilled in the basin, the majority penetrating no deeper than the bottom of the Cretaceous rocks. The general water chemistry of the regional aquifers is based on available data. The depositional environments are the major factor controlling the quality of water in the units. The dominant ions are generally sodium, bicarbonate, and sulfate. A detailed geochemical study of three sandstone aquifers--Morrison, Dakota, and Gallup--was undertaken in the northwestern part of the study area. Results of this study indicate that water chemistry changed in individual wells over short periods of time, not expected in a regional flow system. The chemistry of the water is affected by mixing of recharge, ion filtrate, or very dilute ancient water, and by leakage of saline water. The entire system of ground-water flow and its controlling factors has been defined as the conceptual model. A steady-state, three-dimensional ground-water flow model was constructed to simulate modern predevelopment flow in the post-Jurassic rocks of the regional flow system. In the ground-water flow model, 14 geologic units or combinations of geologic units were considered to be regional aquifers, and 5 geologic units or combinations of geologic units were considered to be regional confining units. The model simulated flow in 12 layers (hydrostratigraphic units) and used harmonic-mean vertical leakance to indirectly simulate aquifer connection across 3 other hydrostratigraphic confining units in addition to coupling the 12 units.

Planned residential units: New development trajectories

NASA Astrophysics Data System (ADS)

Fedchenko, Irina

2017-01-01

The paper summarizes the transformation patterns of functional, morphological, social, and administrative structures of planned residential units - district (Russia, Eastern Europe), neighborhood (USA), community (UK, Europe), as the smallest structural and planning elements of the settlements. The study is based on the author's own on-site survey of the existing and new planned residential units, as well as on the analysis of theoretical sources. The multidisciplinary analysis of the theoretical concepts and on-site survey results showed that planned residential units formed in the early twentieth century retain their social and planning importance and identity, evolve and acquire new features and forms. At the same time, according to the current regulatory and legal instruments they remain basic planning elements of urban structure in the early twenty-first century. This paper also includes experimental analysis of the theoretical concepts of planned residential units' transformation, their conceptual planning model and formation principles in the early twenty-first century.

Effect of eddy current damping on phononic band gaps generated by locally resonant periodic structures

NASA Astrophysics Data System (ADS)

Ozkaya, Efe; Yilmaz, Cetin

2017-02-01

The effect of eddy current damping on a novel locally resonant periodic structure is investigated. The frequency response characteristics are obtained by using a lumped parameter and a finite element model. In order to obtain wide band gaps at low frequencies, the periodic structure is optimized according to certain constraints, such as mass distribution in the unit cell, lower limit of the band gap, stiffness between the components in the unit cell, the size of magnets used for eddy current damping, and the number of unit cells in the periodic structure. Then, the locally resonant periodic structure with eddy current damping is manufactured and its experimental frequency response is obtained. The frequency response results obtained analytically, numerically and experimentally match quite well. The inclusion of eddy current damping to the periodic structure decreases amplitudes of resonance peaks without disturbing stop band width.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.

2018-01-25

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

The University Next Door: Developing a Centralized Unit That Strategically Cultivates Community Engagement at an Urban University

ERIC Educational Resources Information Center

Holton, Valerie L.; Early, Jennifer L.; Resler, Meghan; Trussell, Audrey; Howard, Catherine

2016-01-01

Using Kotter's model of change as a framework, this case study will describe the structure and efforts of a centralized unit within an urban, research university to deepen and extend the institutionalization of community engagement. The change model will be described along with details about the implemented strategies and practices that fall…

Three-dimensional geologic model of the southeastern Espanola Basin, Santa Fe County, New Mexico

USGS Publications Warehouse

Pantea, Michael P.; Hudson, Mark R.; Grauch, V.J.S.; Minor, Scott A.

2011-01-01

This multimedia model and report show and describe digital three-dimensional faulted surfaces and volumes of lithologic units that confine and constrain the basin-fill aquifers within the Espanola Basin of north-central New Mexico. These aquifers are the primary groundwater resource for the cities of Santa Fe and Espanola, six Pueblo nations, and the surrounding areas. The model presented in this report is a synthesis of geologic information that includes (1) aeromagnetic and gravity data and seismic cross sections; (2) lithologic descriptions, interpretations, and geophysical logs from selected drill holes; (3) geologic maps, geologic cross sections, and interpretations; and (4) mapped faults and interpreted faults from geophysical data. Modeled faults individually or collectively affect the continuity of the rocks that contain the basin aquifers; they also help define the form of this rift basin. Structure, trend, and dip data not previously published were added; these structures are derived from interpretations of geophysical information and recent field observations. Where possible, data were compared and validated and reflect the complex relations of structures in this part of the Rio Grande rift. This interactive geologic framework model can be used as a tool to visually explore and study geologic structures within the Espanola Basin, to show the connectivity of geologic units of high and low permeability between and across faults, and to show approximate dips of the lithologic units. The viewing software can be used to display other data and information, such as drill-hole data, within this geologic framework model in three-dimensional space.

3-D Upper-Mantle Shear Velocity Model Beneath the Contiguous United States Based on Broadband Surface Wave from Ambient Seismic Noise

NASA Astrophysics Data System (ADS)

Xie, Jun; Chu, Risheng; Yang, Yingjie

2018-05-01

Ambient noise seismic tomography has been widely used to study crustal and upper-mantle shear velocity structures. Most studies, however, concentrate on short period (< 50 s) surface wave from ambient noise, while studies using long period surface wave from ambient noise are limited. In this paper, we demonstrate the feasibility of using long-period surface wave from ambient noise to study the lithospheric structure on a continental scale. We use broadband Rayleigh wave phase velocities to obtain a 3-D V S structures beneath the contiguous United States at period band of 10-150 s. During the inversion, 1-D shear wave velocity profile is parameterized using B-spline at each grid point and is inverted with nonlinear Markov Chain Monte Carlo method. Then, a 3-D shear velocity model is constructed by assembling all the 1-D shear velocity profiles. Our model is overall consistent with existing models which are based on multiple datasets or data from earthquakes. Our model along with the other post-USArray models reveal lithosphere structures in the upper mantle, which are consistent with the geological tectonic background (e.g., the craton root and regional upwelling provinces). The model has comparable resolution on lithosphere structures compared with many published results and can be used for future detailed regional or continental studies and analysis.

Self-Conscious Emotions in Response to Perceived Failure: A Structural Equation Model

ERIC Educational Resources Information Center

Bidjerano, Temi

2010-01-01

This study explored the occurrence of self-conscious emotions in response to perceived academic failure among 4th-grade students from the United States and Bulgaria, and the author investigated potential contributors to such negative emotional experiences. Results from structural equation modeling indicated that regardless of country, negative…

Theoretical modeling of heating and structure alterations in cartilage under laser radiation with regard to water evaporation and diffusion dominance

NASA Astrophysics Data System (ADS)

Sobol, Emil N.; Kitai, Moishe S.; Jones, Nicholas; Sviridov, Alexander P.; Milner, Thomas E.; Wong, Brian

1998-05-01

We develop a theoretical model to calculate the temperature field and the size of modified structure area in cartilaginous tissue. The model incorporates both thermal and mass transfer in a tissue regarding bulk absorption of laser radiation, water evaporation from a surface and temperature dependence of diffusion coefficient. It is proposed that due to bound- to free-phase transition of water in cartilage heated to about 70 degrees Celsius, some parts of cartilage matrix (proteoglycan units) became more mobile. The movement of these units takes place only when temperature exceed 70 degrees Celsius and results in alteration of tissue structure (denaturation). It is shown that (1) the maximal temperature is reached not on the surface irradiated at some distance from the surface; (2) surface temperature reaches a plateau quicker that the maximal temperature; (3) the depth of denatured area strongly depends on laser fluence and wavelength, exposure time and thickness of cartilage. The model allows to predict and control temperature and depth of structure alterations in the course of laser reshaping and treatment of cartilage.

A Defect Structure for 6-Line Ferrihydrite Nanoparticles (Invited)

NASA Astrophysics Data System (ADS)

Gilbert, B.; Spagnoli, D.; Fakra, S.; Petkov, V.; Penn, R. L.; Banfield, J. F.; Waychunas, G.

2010-12-01

Ferrihydrite is an environmental iron oxyhydroxide mineral that is only found in the form of nanoscale particles yet exerts significant impacts on the biogeochemistry of soils, sediments and surface waters. This material has remained poorly characterized due to significant experimental challenges in determining stoichiometry and structure. In a breakthrough, Michel et al., Science 316, 1726 (2007), showed that real-space pair distribution function (PDF) data from ferrihydrite samples with a range of particle sizes could be modeled by a single newly proposed crystal phase. However, ambiguity remained as to the relationship between this model and real ferrihydrite structure because that model does not perfectly reproduce the reciprocal-space X-ray diffraction data (XRD). Subsequently, Michel et al. PNAS 107, 2787 (2010), demonstrated that ferrihydrite could be thermally coarsened to form an annealed nanomaterial for which both XRD and PDF data are reproduced by a refined version of their original structure. These findings confirmed that the Michel et al. structure is a true mineral phase, but do not resolve the question of how to adequately describe the structure of ferrihydrite nanoparticles formed by low-temperature precipitation in surface waters. There is agreement that a model based upon a single unit cell cannot capture the structural diversity present in real nanoparticles, which can include defects, vacancies and disorder, particularly surface strain. However, for the Michel et al. model of ferrihydrite the disagreement between simulated and experimental XRD is significant, indicating either that the underlying structural model is incorrect; that the assumption that a single phase is sufficient to describe the nanomaterial is not valid; or that ferrihydrite nanoparticles possess an unusually large amount of disorder that must be characterized. Thus, quantitative tests of explicit structural configurations are essential to understand the real nanoparticle disorder and to test the correctness of an underlying phase described by a single unit cell. We reviewed the crystal chemistry of the Michel et al. structure and alternatives and developed hypotheses for plausible structural defects. We developed a novel reverse Monte Carlo (RMC) algorithm that generates defects and disorder within full-nanoparticle structural models and simulates the corresponding PDF and wide-angle XRD patterns for comparison with experimental data. This successfully generated full-nanoparticle structures that are in agreement with both real- and reciprocal-space X-ray scattering data. RMC-derived structures may be incorrect, and are not unique, and must therefore be evaluated for chemical plausibility as emphasized by Manceau, Clay Minerals 44, 19 (2009). Nevertheless, the results show that the inclusion of disorder and defects in full-nanoparticle model of ferrihydrite can resolve the discrepancy between XRD and PDF results found for a model based upon a single unit cell.

Approximating the stress field within the unit cell of a fabric reinforced composite using replacement elements

NASA Technical Reports Server (NTRS)

Foye, R. L.

1993-01-01

This report concerns the prediction of the elastic moduli and the internal stresses within the unit cell of a fabric reinforced composite. In the proposed analysis no restrictions or assumptions are necessary concerning yarn or tow cross-sectional shapes or paths through the unit cell but the unit cell itself must be a right hexagonal parallelepiped. All the unit cell dimensions are assumed to be small with respect to the thickness of the composite structure that it models. The finite element analysis of a unit cell is usually complicated by the mesh generation problems and the non-standard, adjacent-cell boundary conditions. This analysis avoids these problems through the use of preprogrammed boundary conditions and replacement materials (or elements). With replacement elements it is not necessary to match all the constitutional material interfaces with finite element boundaries. Simple brick-shaped elements can be used to model the unit cell structure. The analysis predicts the elastic constants and the average stresses within each constituent material of each brick element. The application and results of this analysis are demonstrated through several example problems which include a number of composite microstructures.

Composition formulas of binary eutectics

PubMed Central

Ma, Y. P.; Dong, D. D.; Dong, C.; Luo, L. J.; Wang, Q.; Qiang, J. B.; Wang, Y. M.

2015-01-01

The present paper addresses the long-standing composition puzzle of eutectic points by introducing a new structural tool for the description of short-range-order structural unit, the cluster-plus-glue-atom model. In this model, any structure is dissociated into a 1st-neighbor cluster and a few glue atoms between the clusters, expressed by a cluster formula [cluster]gluex. This model is applied here to establish the structural model for eutectic liquids, assuming that a eutectic liquid consist of two subunits issued from the relevant eutectic phases, each being expressed by the cluster formula for ideal metallic glasses, i.e., [cluster](glue atom)1 or 3. A structural unit is then composed of two clusters from the relevant eutectic phases plus 2, 4, or 6 glue atoms. Such a dual cluster formulism is well validated in all boron-containing (except those located by the extreme phase diagram ends) and in some commonly-encountered binary eutectics, within accuracies below 1 at.%. The dual cluster formulas vary extensively and are rarely identical even for eutectics of close compositions. They are generally formed with two distinctly different cluster types, with special cluster matching rules such as cuboctahedron plus capped trigonal prism and rhombidodecahedron plus octahedral antiprism. PMID:26658618

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Shaughnessy, Eric; Ardani, Kristen; Cutler, Dylan

Solar 'plus' refers to an emerging approach to distributed solar photovoltaic (PV) deployment that uses energy storage and controllable devices to optimize customer economics. The solar plus approach increases customer system value through technologies such as electric batteries, smart domestic water heaters, smart air-conditioner (AC) units, and electric vehicles We use an NREL optimization model to explore the customer-side economics of solar plus under various utility rate structures and net metering rates. We explore optimal solar plus applications in five case studies with different net metering rates and rate structures. The model deploys different configurations of PV, batteries, smart domesticmore » water heaters, and smart AC units in response to different rate structures and customer load profiles. The results indicate that solar plus improves the customer economics of PV and may mitigate some of the negative impacts of evolving rate structures on PV economics. Solar plus may become an increasingly viable model for optimizing PV customer economics in an evolving rate environment.« less

Solar Plus: A Holistic Approach to Distributed Solar PV

DOE Office of Scientific and Technical Information (OSTI.GOV)

OShaughnessy, Eric J.; Ardani, Kristen B.; Cutler, Dylan S.

Solar 'plus' refers to an emerging approach to distributed solar photovoltaic (PV) deployment that uses energy storage and controllable devices to optimize customer economics. The solar plus approach increases customer system value through technologies such as electric batteries, smart domestic water heaters, smart air-conditioner (AC) units, and electric vehicles We use an NREL optimization model to explore the customer-side economics of solar plus under various utility rate structures and net metering rates. We explore optimal solar plus applications in five case studies with different net metering rates and rate structures. The model deploys different configurations of PV, batteries, smart domesticmore » water heaters, and smart AC units in response to different rate structures and customer load profiles. The results indicate that solar plus improves the customer economics of PV and may mitigate some of the negative impacts of evolving rate structures on PV economics. Solar plus may become an increasingly viable model for optimizing PV customer economics in an evolving rate environment.« less

Tunable two-dimensional acoustic meta-structure composed of funnel-shaped unit cells with multi-band negative acoustic property

NASA Astrophysics Data System (ADS)

Cho, Sungjin; Kim, Boseung; Min, Dongki; Park, Junhong

2015-10-01

This paper presents a two-dimensional heat-exhaust and sound-proof acoustic meta-structure exhibiting tunable multi-band negative effective mass density. The meta-structure was composed of periodic funnel-shaped units in a square lattice. Each unit cell operates simultaneously as a Helmholtz resonator (HR) and an extended pipe chamber resonator (EPCR), leading to a negative effective mass density creating bandgaps for incident sound energy dissipation without transmission. This structure allowed large heat-flow through the cross-sectional area of the extended pipe since the resonance was generated by acoustic elements without using solid membranes. The pipes were horizontally directed to a flow source to enable small flow resistance for cooling. Measurements of the sound transmission were performed using a two-load, four-microphone method for a unit cell and small reverberation chamber for two-dimensional panel to characterize the acoustic performance. The effective mass density showed significant frequency dependent variation exhibiting negative values at the specific bandgaps, while the effective bulk modulus was not affected by the resonator. Theoretical models incorporating local resonances in the multiple resonator units were proposed to analyze the noise reduction mechanism. The acoustic meta-structure parameters to create broader frequency bandgaps were investigated using the theoretical model. The negative effective mass density was calculated to investigate the creation of the bandgaps. The effects of design parameters such as length, cross-sectional area, and volume of the HR; length and cross-sectional area of the EPCR were analyzed. To maximize the frequency band gap, the suggested acoustic meta-structure panel, small neck length, and cross-sectional area of the HR, large EPCR length was advantageous. The bandgaps became broader when the two resonant frequencies were similar.

Mechanical properties of regular porous biomaterials made from truncated cube repeating unit cells: Analytical solutions and computational models.

PubMed

Hedayati, R; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2016-03-01

Additive manufacturing (AM) has enabled fabrication of open-cell porous biomaterials based on repeating unit cells. The micro-architecture of the porous biomaterials and, thus, their physical properties could then be precisely controlled. Due to their many favorable properties, porous biomaterials manufactured using AM are considered as promising candidates for bone substitution as well as for several other applications in orthopedic surgery. The mechanical properties of such porous structures including static and fatigue properties are shown to be strongly dependent on the type of the repeating unit cell based on which the porous biomaterial is built. In this paper, we study the mechanical properties of porous biomaterials made from a relatively new unit cell, namely truncated cube. We present analytical solutions that relate the dimensions of the repeating unit cell to the elastic modulus, Poisson's ratio, yield stress, and buckling load of those porous structures. We also performed finite element modeling to predict the mechanical properties of the porous structures. The analytical solution and computational results were found to be in agreement with each other. The mechanical properties estimated using both the analytical and computational techniques were somewhat higher than the experimental data reported in one of our recent studies on selective laser melted Ti-6Al-4V porous biomaterials. In addition to porosity, the elastic modulus and Poisson's ratio of the porous structures were found to be strongly dependent on the ratio of the length of the inclined struts to that of the uninclined (i.e. vertical or horizontal) struts, α, in the truncated cube unit cell. The geometry of the truncated cube unit cell approaches the octahedral and cube unit cells when α respectively approaches zero and infinity. Consistent with those geometrical observations, the analytical solutions presented in this study approached those of the octahedral and cube unit cells when α approached respectively 0 and infinity. Copyright © 2015 Elsevier B.V. All rights reserved.

Unified Deep Learning Architecture for Modeling Biology Sequence.

PubMed

Wu, Hongjie; Cao, Chengyuan; Xia, Xiaoyan; Lu, Qiang

2017-10-09

Prediction of the spatial structure or function of biological macromolecules based on their sequence remains an important challenge in bioinformatics. When modeling biological sequences using traditional sequencing models, characteristics, such as long-range interactions between basic units, the complicated and variable output of labeled structures, and the variable length of biological sequences, usually lead to different solutions on a case-by-case basis. This study proposed the use of bidirectional recurrent neural networks based on long short-term memory or a gated recurrent unit to capture long-range interactions by designing the optional reshape operator to adapt to the diversity of the output labels and implementing a training algorithm to support the training of sequence models capable of processing variable-length sequences. Additionally, the merge and pooling operators enhanced the ability to capture short-range interactions between basic units of biological sequences. The proposed deep-learning model and its training algorithm might be capable of solving currently known biological sequence-modeling problems through the use of a unified framework. We validated our model on one of the most difficult biological sequence-modeling problems currently known, with our results indicating the ability of the model to obtain predictions of protein residue interactions that exceeded the accuracy of current popular approaches by 10% based on multiple benchmarks.

Role Allocation and Team Structure in Command and Control Teams

DTIC Science & Technology

2014-06-01

organizational psychology and management sciences literature show concepts such as empowered self-management and self-regulating work teams (see Cooney, 2004...tankers (FT), search units (S) and rescue units (R). Each unit is represented on the map by a numbered icon. Each type of unit is colour -coded and...Understanding team adaptation: A conceptual analysis and model. Journal of Applied Psychology , 91, 1189-1207. Cannon-Bowers, J. A., Tannenbaum

Comparative Protein Structure Modeling Using MODELLER.

PubMed

Webb, Benjamin; Sali, Andrej

2014-09-08

Functional characterization of a protein sequence is one of the most frequent problems in biology. This task is usually facilitated by accurate three-dimensional (3-D) structure of the studied protein. In the absence of an experimentally determined structure, comparative or homology modeling can sometimes provide a useful 3-D model for a protein that is related to at least one known protein structure. Comparative modeling predicts the 3-D structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target-template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. Copyright © 2014 John Wiley & Sons, Inc.

East Meets West: Rome. Grade 6 Model Lesson for Unit V. California History-Social Science Course Models.

ERIC Educational Resources Information Center

Zachlod, Michelle, Ed.

This unit for sixth-grade students provides a fuller understanding of Julius Caesar's significance. Before students delve into the sample topic, they need an understanding of Roman values, lore, republican ideals, and structure of early Roman history. The first few activities in this lesson are to be taught prior to beginning the actual study of…

Convergence yet Continued Complexity: A Systematic Review and Critique of Health Economic Models of Relapsing-Remitting Multiple Sclerosis in the United Kingdom.

PubMed

Allen, Felicity; Montgomery, Stephen; Maruszczak, Maciej; Kusel, Jeanette; Adlard, Nicholas

2015-09-01

Several disease-modifying therapies have marketing authorizations for the treatment of relapsing-remitting multiple sclerosis (RRMS). Given their appraisal by the National Institute for Health and Care Excellence, the objective was to systematically identify and critically evaluate the structures and assumptions used in health economic models of disease-modifying therapies for RRMS in the United Kingdom. Embase, MEDLINE, The Cochrane Library, and the National Institute for Health and Care Excellence Web site were searched systematically on March 3, 2014, to identify articles relating to health economic models in RRMS with a UK perspective. Data sources, techniques, and assumptions of the included models were extracted, compared, and critically evaluated. Of 386 results, 26 full texts were evaluated, leading to the inclusion of 18 articles (relating to 12 models). Early models varied considerably in method and structure, but convergence over time toward a Markov model with states based on disability score, a 1-year cycle length, and a lifetime time horizon was apparent. Recent models also allowed for disability improvement within the natural history of the condition. Considerable variety remains, with increasing numbers of comparators, the need for treatment sequencing, and different assumptions around efficacy waning and treatment withdrawal. Despite convergence over time to a similar Markov structure, there are still significant discrepancies between health economic models of RRMS in the United Kingdom. Differing methods, assumptions, and data sources render the comparison of model implementation and results problematic. The commonly used Markov structure leads to problems such as incapability to deal with heterogeneous populations and multiplying complexity with the addition of treatment sequences; these would best be solved by using alternative models such as discrete event simulations. Copyright © 2015 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

[Plastic surgery in day hospital conditions: comparison between two hospital models].

PubMed

Faga, A; Carminati, M; Falconi, D; Gatti, S; Rottino, A

2003-12-01

Personal experience of plastic surgery carried out in Day Hospital conditions is reported. The experience took place within the hospital structure through two different organisational models called here transversal and divisional organisation models: characteristic of the former is that it uses a dedicated interdivisional structure within the hospital involving the centralization of all day-surgery activities, whereas the latter organizes Day Surgery activities within the operating unit whose structures it shares. On the basis of a comparison between the two models we were able to note advantages and disadvantages. We can review our experience in brief by stating that our own preference went to the transversal model which presents the indubitable advantage of being a logistic structure which is hinged on daytime activity and is ready therefore to satisfy on the one hand the needs of this type of patient and, on the other, the needs of the structure itself in efficiency terms. We propose to correct the disadvantages of the transversal model which can be outlined in its lack of homogeneity in the pathology treated and in the subtraction of the criterion of clinical priority in waiting lists through the attainment of a critical dimensional threshold such as to permit programmable sessions with patients with homogeneous pathology (i.e. belonging to the same hospital unit) and through the maintenance of a certain number of Day Hospital beds (around 25%) reserved for new emergency clinical cases.

Why Not Start with Quarks? Teachers Investigate a Learning Unit on the Subatomic Structure of Matter with 12-Year-Olds

ERIC Educational Resources Information Center

Wiener, Gerfried J.; Schmeling, Sascha M.; Hopf, Martin

2017-01-01

This paper describes the second in a series of studies exploring the acceptance of the subatomic structure of matter by 12-year-olds. The studies focus on a novel learning unit introducing an atomic model from electrons down to quarks, which is aimed to be used at an early stage in the physics curriculum. Three features are fundamental to the…

Earth Observing System (EOS)/Advanced Microwave Sounding Unit-A (AMSU-A) Structural Math Model - A1

NASA Technical Reports Server (NTRS)

Ely, W.

1996-01-01

This report presents the description for the NASTRAN finite element for the AMSU-A1 module. The purpose of this report is to document the NASTRAN bulk data deck, transmitted under separate cover. The structural Math Model is to be used by the spacecraft contractor for dynamic loads analysis.

Numerical Modeling of Wave Overtopping of Buffalo Harbor Confined Disposal Facility (CDF4)

DTIC Science & Technology

2017-10-01

for U.S. Army Corps of Engineers, Buffalo District 1776 Niagara Street, Buffalo, NY 14207 Under Wave Structures Work Unit 280H46 ERDC/CHL TR-17-18...11 2.2 Structure data...33 3.2 Type and condition of structures

Impact of cell size on inventory and mapping errors in a cellular geographic information system

NASA Technical Reports Server (NTRS)

Wehde, M. E. (Principal Investigator)

1979-01-01

The author has identified the following significant results. The effect of grid position was found insignificant for maps but highly significant for isolated mapping units. A modelable relationship between mapping error and cell size was observed for the map segment analyzed. Map data structure was also analyzed with an interboundary distance distribution approach. Map data structure and the impact of cell size on that structure were observed. The existence of a model allowing prediction of mapping error based on map structure was hypothesized and two generations of models were tested under simplifying assumptions.

A Physiologically Based, Multi-Scale Model of Skeletal Muscle Structure and Function

PubMed Central

Röhrle, O.; Davidson, J. B.; Pullan, A. J.

2012-01-01

Models of skeletal muscle can be classified as phenomenological or biophysical. Phenomenological models predict the muscle’s response to a specified input based on experimental measurements. Prominent phenomenological models are the Hill-type muscle models, which have been incorporated into rigid-body modeling frameworks, and three-dimensional continuum-mechanical models. Biophysically based models attempt to predict the muscle’s response as emerging from the underlying physiology of the system. In this contribution, the conventional biophysically based modeling methodology is extended to include several structural and functional characteristics of skeletal muscle. The result is a physiologically based, multi-scale skeletal muscle finite element model that is capable of representing detailed, geometrical descriptions of skeletal muscle fibers and their grouping. Together with a well-established model of motor-unit recruitment, the electro-physiological behavior of single muscle fibers within motor units is computed and linked to a continuum-mechanical constitutive law. The bridging between the cellular level and the organ level has been achieved via a multi-scale constitutive law and homogenization. The effect of homogenization has been investigated by varying the number of embedded skeletal muscle fibers and/or motor units and computing the resulting exerted muscle forces while applying the same excitatory input. All simulations were conducted using an anatomically realistic finite element model of the tibialis anterior muscle. Given the fact that the underlying electro-physiological cellular muscle model is capable of modeling metabolic fatigue effects such as potassium accumulation in the T-tubular space and inorganic phosphate build-up, the proposed framework provides a novel simulation-based way to investigate muscle behavior ranging from motor-unit recruitment to force generation and fatigue. PMID:22993509

Tube structural integrity evaluation of Palo Verde Unit 1 steam generators for axial upper-bundle cracking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Woodman, B.W.; Begley, J.A.; Brown, S.D.

1995-12-01

The analysis of the issue of upper bundle axial ODSCC as it apples to steam generator tube structural integrity in Unit 1 at the Palo Verde Nuclear generating Station is presented in this study. Based on past inspection results for Units 2 and 3 at Palo Verde, the detection of secondary side stress corrosion cracks in the upper bundle region of Unit 1 may occur at some future date. The following discussion provides a description and analysis of the probability of axial ODSCC in Unit 1 leading to the exceedance of Regulatory Guide 1.121 structural limits. The probabilities of structuralmore » limit exceedance are estimated as function of run time using a conservative approach. The chosen approach models the historical development of cracks, crack growth, detection of cracks and subsequent removal from service and the initiation and growth of new cracks during a given cycle of operation. Past performance of all Palo Verde Units as well as the historical performance of other steam generators was considered in the development of cracking statistics for application to Unit 1. Data in the literature and Unit 2 pulled tube examination results were used to construct probability of detection curves for the detection of axial IGSCC/IGA using an MRPC (multi-frequency rotating panake coil) eddy current probe. Crack growth rates were estimated from Unit 2 eddy current inspection data combined with pulled tube examination results and data in the literature. A Monte-Carlo probabilistic model is developed to provide an overall assessment of the risk of Regulatory Guide exceedance during plant operation.« less

Generation, Analysis and Characterization of Anisotropic Engineered Meta Materials

NASA Astrophysics Data System (ADS)

Trifale, Ninad T.

A methodology for a systematic generation of highly anisotropic micro-lattice structures was investigated. Multiple algorithms for generation and validation of engineered structures are developed and evaluated. Set of all possible permutations of structures for an 8-node cubic unit cell were considered and the degree of anisotropy of meta-properties in heat transport and mechanical elasticity were evaluated. Feasibility checks were performed to ensure that the generated unit cell network was repeatable and a continuous lattice structure. Four different strategies for generating permutations of the structures are discussed. Analytical models were developed to predict effective thermal, mechanical and permeability characteristics of these cellular structures.Experimentation and numerical modeling techniques were used to validate the models that are developed. A self-consistent mechanical elasticity model was developed which connects the meso-scale properties to stiffness of individual struts. A three dimensional thermal resistance network analogy was used to evaluate the effective thermal conductivity of the structures. The struts were modeled as a network of one dimensional thermal resistive elements and effective conductivity evaluated. Models were validated against numerical simulations and experimental measurements on 3D printed samples. Model was developed to predict effective permeability of these engineered structures based on Darcy's law. Drag coefficients were evaluated for individual connections in transverse and longitudinal directions and an interaction term was calibrated from the experimental data in literature in order to predict permeability. Generic optimization framework coupled to finite element solver is developed for analyzing any application involving use of porous structures. An objective functions were generated structure to address frequently observed trade-off between the stiffness, thermal conductivity, permeability and porosity. Three application were analyzed for potential use of engineered materials. Heat spreader application involving thermal and mechanical constraints, artificial bone grafts application involving mechanical and permeability constraints and structural materials applications involving mechanical, thermal and porosity constraints is analyzed. Recommendations for optimum topologies for specific operating conditions are provided.

Thylakoid membrane landscape in the sixties: a tribute to Andrew Benson.

PubMed

Anderson, Jan M

2007-05-01

Prior to the 1960s, the model for the molecular structure of cell membranes consisted of a lipid bilayer held in place by a thin film of electrostatically-associated protein stretched over the bilayer surface: (the Danielli-Davson-Robertson "unit membrane" model). Andrew Benson, an expert in the lipids of chloroplast thylakoid membranes, questioned the relevance of the unit membrane model for biological membranes, especially for thylakoid membranes, instead of emphasizing evidence in favour of hydrophobic interactions of membrane lipids within complementary hydrophobic regions of membrane-spanning proteins. With Elliot Weier, Benson postulated a remarkable subunit lipoprotein monolayer model for thylakoids. Following the advent of freeze fracture microscopy and the fluid lipid-protein mosaic model by Singer and Nicolson, the subunits, membrane-spanning integral proteins, span a dynamic lipid bilayer. Now that high resolution X-ray structures of photosystems I and II are being revealed, the seminal contribution of Andrew Benson can be appreciated.

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE PAGES

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.; ...

2017-11-20

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

A Comparative Analysis of United States and Chinese Economic Engagement in Sub Saharan Africa

DTIC Science & Technology

2016-03-01

model of conditional aid attached to structural and social reform. The U.S. trade relationships with sub- Saharan Africa are separate from its aid...relationship to the region is fundamentally different, following a Western model of conditional aid attached to structural and social reform. The U.S...demonstrated structural improvement within a given state and Chinese policy forbidding any conditionality beyond the terms of the transaction.8 The

12,000 Students and Their English Teachers: Tested Units in Teaching Literature, Language, Composition.

ERIC Educational Resources Information Center

College Entrance Examination Board, New York, NY. Commission on English.

Literature, language, and composition are integrated in this collection of 30 model teaching units for grades 9-12. The units are concerned with (1) the explication and comparison of novels by Hemingway, Wilder, Kipling, and Knowles, (2) short story techniques used by writers from Poe to Joyce, (3) poetic structure and themes as demonstrated in…

Explicit parametric solutions of lattice structures with proper generalized decomposition (PGD) - Applications to the design of 3D-printed architectured materials

NASA Astrophysics Data System (ADS)

Sibileau, Alberto; Auricchio, Ferdinando; Morganti, Simone; Díez, Pedro

2018-01-01

Architectured materials (or metamaterials) are constituted by a unit-cell with a complex structural design repeated periodically forming a bulk material with emergent mechanical properties. One may obtain specific macro-scale (or bulk) properties in the resulting architectured material by properly designing the unit-cell. Typically, this is stated as an optimal design problem in which the parameters describing the shape and mechanical properties of the unit-cell are selected in order to produce the desired bulk characteristics. This is especially pertinent due to the ease manufacturing of these complex structures with 3D printers. The proper generalized decomposition provides explicit parametic solutions of parametric PDEs. Here, the same ideas are used to obtain parametric solutions of the algebraic equations arising from lattice structural models. Once the explicit parametric solution is available, the optimal design problem is a simple post-process. The same strategy is applied in the numerical illustrations, first to a unit-cell (and then homogenized with periodicity conditions), and in a second phase to the complete structure of a lattice material specimen.

Development of a geodatabase and conceptual model of the hydrogeologic units beneath air force plant 4 and Naval Air Station-Joint Reserve Base Carswell Field, Fort Worth, Texas

USGS Publications Warehouse

Shah, Sachin D.

2004-01-01

Air Force Plant 4 and adjacent Naval Air Station-Joint Reserve Base Carswell Field at Fort Worth, Texas, constitute a government-owned, contractor-operated facility that has been in operation since 1942. Contaminants from AFP4, primarily volatile organic compounds and metals, have entered the ground-water-flow system through leakage from waste-disposal sites and from manufacturing processes. The U.S. Geological Survey developed a comprehensive geodatabase of temporal and spatial environmental information associated with the hydrogeologic units (alluvial aquifer, Goodland-Walnut confining unit, and Paluxy aquifer) beneath the facility and a three-dimensional conceptual model of the hydrogeologic units integrally linked to the geodatabase. The geodatabase design uses a thematic layer approach to create layers of feature data using a geographic information system. The various features are separated into relational tables in the geodatabase on the basis of how they interact and correspond to one another. Using the geodatabase, geographic data at the site are manipulated to produce maps, allow interactive queries, and perform spatial analyses. The conceptual model for the study area comprises computer-generated, three-dimensional block diagrams of the hydrogeologic units. The conceptual model provides a platform for visualization of hydrogeologic-unit sections and surfaces and for subsurface environmental analyses. The conceptual model is based on three structural surfaces and two thickness configurations of the study area. The three structural surfaces depict the altitudes of the tops of the three hydrogeologic units. The two thickness configurations are those of the alluvial aquifer and the Goodland-Walnut confining unit. The surface of the alluvial aquifer was created using a U.S. Geological Survey 10-meter digital elevation model. The 2,130 point altitudes of the top of the Goodland-Walnut unit were compiled from lithologic logs from existing wells, available soil-boring logs, and previous studies. Data from 120 wells, primarily from existing reports, were used to create a map of the approximate altitude of the Paluxy aquifer.

Structure and tectonics of the northwestern United States from EarthScope USArray magnetotelluric data

USGS Publications Warehouse

Bedrosian, Paul A.; Feucht, Daniel W.

2014-01-01

The magnetotelluric component of the EarthScope USArray program has covered over 35% of the continental United States. Resistivity tomography models derived from these data image lithospheric structure and provide constraints on the distribution of fluids and melt within the lithosphere. We present a three-dimensional resistivity model of the northwestern United States which provides new insight into the tectonic assembly of western North America from the Archean to present. Comparison with seismic tomography models reveals regions of correlated and anti-correlated resistivity and velocity that help identify thermal and compositional variations within the lithosphere. Recent (Neogene) tectonic features reflected in the model include the subducting Juan de Fuca–Gorda plate which can be traced beneath the forearc to more than 100 km depth, high lithospheric conductivity along the Snake River Plain, and pronounced lower-crustal and upper-mantle conductivity beneath the Basin and Range. The latter is abruptly terminated to the northwest by the Klamath–Blue Mountains Lineament, which we interpret as an important structure during and since the Mesozoic assembly of the region. This boundary is interpreted to separate hot extended lithosphere from colder, less extended lithosphere. The western edge of Proterozoic North America, as indicated by the Cretaceous initial 87Sr/86Sr = 0.706 contour, is clearly reflected in the resistivity model. We further image an Archean crustal block (“Pend Oreille block”) straddling the Washington/Idaho border, which we speculate separated from the Archean Medicine Hat block in the Proterozoic. Finally, in the modern Cascades forearc, the geometry and internal structure of the Eocene Siletz terrane is reflected in the resistivity model. The apparent eastern edge of the Siletz terrane under the Cascades arc suggests that pre-Tertiary rocks fill the Washington and Oregon back-arc.

Lithospheric magnetic field modelling of the African continent

NASA Astrophysics Data System (ADS)

Hemant, K.; Maus, S.

2003-04-01

New magnetic satellite missions in low-earth orbit are providing increasingly accurate maps of the lithospheric magnetic field. These maps can be used to infer the geological structure of regions hidden by Phanerozoic cover, taking into account our knowledge of crustal structure from surface geology and seismic methods. A GIS based modelling technique has been developed to model the various geological units of the continents using the UNESCO geological map of the world, supported by background geological information from various sources. Geological units of each region are assigned a susceptibility value based on laboratory values of the constituent rock types. Then, using the 3SMAC seismic crustal structure, a vertically integrated susceptibility (VIS) model is computed at each point of the region. Starting with this VIS model, the total field anomaly is computed at an altitude of 400 km and compared with the MF2 lithospheric magnetic field model derived from CHAMP data. The modelling results of the Precambrian units of the West African cratons agree well with MF2. The anomaly in the Central African cratonic region also correlates well, although part of it is unaccounted for as yet. Furthermore, the anomalies over the Tanzanian craton and surrounding region agree very well. Most of the regions around the South African cratons are hidden by Phanerozoic cover, yet the results above the Kaapvaal craton and the southern Zimbabwe craton around the Limpopo belt show good correspondence with the observed anomaly map. The results also suggest a probable extension of the Precambrian units below the sediments of younger age. In general, the lower crust is likely to be more mafic than presumed in our current understanding of Central Africa. Deviations in the magnitude of the anomalies in some regions are likely to be due to incomplete seismic information in those regions. Thus, the thickness of crustal layers derived from magnetic anomalies for these locations may help to constrain future geophysical models in the less explored regions of Africa.

Low energy electron diffraction and low energy electron microscopy microspot I/V analysis of the (4 x 4)O structure on Ag(111): surface oxide or reconstruction?

PubMed

Reichelt, R; Günther, S; Wintterlin, J; Moritz, W; Aballe, L; Mentes, T O

2007-10-07

A low energy electron diffraction (LEED) I/V analysis was performed of the (4 x 4) oxygen structure on Ag(111). Two data sets were used, one recorded with a conventional LEED system and a second with a low energy electron microscope (LEEM). The data sets agree well with each other, demonstrating that I/V structure analyses can be performed with the same quality with LEEM as with conventional LEED. The structure obtained confirms the recently proposed model that involves a reconstruction of the Ag(111) surface. Previous models based on a thin layer of Ag(2)O that had been accepted for more than 30 years are disproved. The reconstruction model contains two units of six triangularly arranged Ag atoms and a stacking fault in one half of the unit cell. The six O atoms per unit cell occupy sites in the trenches between the Ag(6) triangles. Small lateral displacements of the Ag atoms lift the mirror symmetry of the structure, leading to two nonequivalent groups of O atoms. The atoms of both groups are located approximately 0.5 Angstrom below the top Ag layer, on fourfold positions with respect to the top layer Ag atoms. Ag-O distances between 2.05 and 2.3 Angstrom are found. The oxygen atoms exhibit large static or dynamic displacements of up to 0.3 Angstrom at 300 K.

Origami-based mechanical metamaterials with tunable frequency band structures (Conference Presentation)

NASA Astrophysics Data System (ADS)

Yasuda, Hiromi; Pratt, Riley; Yang, Jinkyu

2017-04-01

We investigate wave dynamics in origami-based mechanical metamaterials composed of bellows-like origami structures, specifically the Tachi-Miura Polyhedron (TMP). One of the unique features of the TMP is that its structural deformations take place only along the crease lines, therefore the structure can be made of rigid plates and hinges. By utilizing this feature, we introduce linear torsional springs to model the crease lines and derive the force and displacement relationship of the TMP structure along the longitudinal direction. Our analysis shows strain softening/hardening behaviors in compression/tensile regions respectively, and the force-displacement curve can be manipulated by altering the initial configuration of the TMP (e.g., the initial folding angle). We also fabricate physical prototypes and measure the force-displacement behavior to verify our analytical model. Based on this static analysis on the TMP, we simplify the TMP structure into a linkage model, preserving the tunable strain softening/hardening behaviors. Dynamic analysis is also conducted numerically to analyze the frequency response of the simplified TMP unit cell under harmonic excitations. The simplified TMP exhibits a transition between linear and nonlinear behaviors, which depends on the amplitude of the excitation and the initial configuration. In addition, we design a 1D system composed of simplified TMP unit cells and analyze the relationship between frequency and wave number. If two different configurations of the unit cell (e.g., different initial folding angles) are connected in an alternating arrangement, the system develops frequency bandgaps. These unique static/dynamic behaviors can be exploited to design engineering devices which can handle vibrations and impact in an efficient manner.

Maintaining the confidentiality of plot locations by exploiting the low sensitivity of forest structure models to different spectral extraction kernels

Treesearch

Sean P. Healey; Elizabeth Lapoint; Gretchen G. Moisen; Scott L. Powell

2011-01-01

The United States Forest Service Forest Inventory and Analysis (FIA) unit maintains a large national network of inventory plots.While the consistency and extent of this network make FIA data attractive for ecological modelling, the FIA is charged by statute not to publicly reveal inventory plot locations. However, use of FIA plot data by the remote sensing community...

Modelling the potential role of forest thinning in maintaining water supplies under a changing climate across the conterminous United States

Treesearch

Ge Sun; Peter V. Caldwell; Steven G. McNulty

2015-01-01

The goal of this study was to test the sensitivity of water yield to forest thinning and other forest management/disturbances and climate across the conterminous United States (CONUS). Leaf area index (LAI) was selected as a key parameter linking changes in forest ecosystem structure and functions. We used the Water Supply Stress Index model to examine water yield...

Reproduction numbers for epidemic models with households and other social structures. I. Definition and calculation of R0

PubMed Central

Pellis, Lorenzo; Ball, Frank; Trapman, Pieter

2012-01-01

The basic reproduction number R0 is one of the most important quantities in epidemiology. However, for epidemic models with explicit social structure involving small mixing units such as households, its definition is not straightforward and a wealth of other threshold parameters has appeared in the literature. In this paper, we use branching processes to define R0, we apply this definition to models with households or other more complex social structures and we provide methods for calculating it. PMID:22085761

Implementing the "Curriculum and Evaluation Standards."

ERIC Educational Resources Information Center

Pacyga, Robert

1994-01-01

Describes two activities to analyze unit-cell structures from a geometric viewpoint and invite students to apply their mathematical understanding to scientific phenomena. Students form models of the simple cube, a building block of crystalline structures, and a methane molecule. (MDH)

Effect of intensive care unit organizational model and structure on outcomes in patients with acute lung injury.

PubMed

Treggiari, Miriam M; Martin, Diane P; Yanez, N David; Caldwell, Ellen; Hudson, Leonard D; Rubenfeld, Gordon D

2007-10-01

Prior studies supported an association between intensive care unit (ICU) organizational model or staffing patterns and outcome in critically ill patients. To examine the association of closed versus open models with patient mortality across adult ICUs in King County (WA). Cohort study of patients with acute lung injury (ALI). ICU structure, organization, and patient care practices were assessed using self-administered mail questionnaires completed by the medical director and nurse manager. We defined closed ICUs as units that required patient transfer to or mandatory patient comanagement by an intensivist and open ICUs as those relying on other organizational models. Outcomes were obtained from the King County Lung Injury Project, a population-based cohort of patients with ALI. The main endpoint was hospital mortality. Of 24 eligible ICUs, 13 ICUs were designated closed and 11 open. Complete survey data were available for 23 (96%) ICUs. Higher physician and nurse availability was reported in closed versus open ICUs. A total of 684 of 1,075 (63%) of patients with ALI were cared for in closed ICUs. After adjusting for potential confounders, patients with ALI cared for in closed ICUs had reduced hospital mortality (adjusted odds ratio, 0.68; 95% confidence interval, 0.53, 0.89; P = 0.004). Consultation by a pulmonologist in open ICUs was not associated with improved mortality (adjusted odds ratio, 0.94; 95% confidence interval, 0.74, 1.20; P = 0.62). These findings were robust for varying assumptions about the study population definition. Patients with ALI cared for in a closed-model ICU have reduced mortality. These data support recommendations to implement structured intensive care in the United States.

Comparative analysis of the mechanical signals in lung development and compensatory growth.

PubMed

Hsia, Connie C W

2017-03-01

This review compares the manner in which physical stress imposed on the parenchyma, vasculature and thorax and the thoraco-pulmonary interactions, drive both developmental and compensatory lung growth. Re-initiation of anatomical lung growth in the mature lung is possible when the loss of functioning lung units renders the existing physiologic-structural reserves insufficient for maintaining adequate function and physical stress on the remaining units exceeds a critical threshold. The appropriate spatial and temporal mechanical interrelationships and the availability of intra-thoracic space, are crucial to growth initiation, follow-on remodeling and physiological outcome. While the endogenous potential for compensatory lung growth is retained and may be pharmacologically augmented, supra-optimal mechanical stimulation, unbalanced structural growth, or inadequate remodeling may limit functional gain. Finding ways to optimize the signal-response relationships and resolve structure-function discrepancies are major challenges that must be overcome before the innate compensatory ability could be fully realized. Partial pneumonectomy reproducibly removes a known fraction of functioning lung units and remains the most robust model for examining the adaptive mechanisms, structure-function consequences and plasticity of the remaining functioning lung units capable of regeneration. Fundamental mechanical stimulus-response relationships established in the pneumonectomy model directly inform the exploration of effective approaches to maximize compensatory growth and function in chronic destructive lung diseases, transplantation and bioengineered lungs.

Comparative Analysis of the Mechanical Signals in Lung Development and Compensatory Growth

PubMed Central

Hsia, Connie C.W.

2017-01-01

This review compares the manner in which physical stress imposed on the parenchyma, vasculature and thorax, and the thoraco-pulmonary interactions, drive both developmental and compensatory lung growth. Re-initiation of anatomical lung growth in the mature lung is possible when the loss of functioning lung units renders the existing physiologic-structural reserves insufficient for maintaining adequate function and physical stress on the remaining units exceeds a critical threshold. The appropriate spatial and temporal mechanical interrelationships, and the availability of intra-thoracic space, are crucial to growth initiation, follow-on remodeling and physiological outcome. While the endogenous potential for compensatory lung growth is retained and may be pharmacologically augmented, supra-optimal mechanical stimulation, unbalanced structural growth, or inadequate remodeling, may limit functional gain. Finding ways to optimize the signal-response relationships and resolve structure-function discrepancies are major challenges that must be overcome before the innate compensatory ability could be fully realized. Partial pneumonectomy reproducibly removes a known fraction of functioning lung units and remains the most robust model for examining the adaptive mechanisms, structure-function consequences, and plasticity of the remaining functioning lung units capable of regeneration. Fundamental mechanical stimulus-response relationships established in the pneumonectomy model directly inform the exploration of effective approaches to maximize compensatory growth and function in chronic destructive lung diseases, transplantation and bioengineered lungs. PMID:28084523

A multi-scaled approach to evaluating the fish assemblage structure within southern Appalachian streams USA.

USGS Publications Warehouse

Kirsch, Joseph; Peterson, James T.

2014-01-01

There is considerable uncertainty about the relative roles of stream habitat and landscape characteristics in structuring stream-fish assemblages. We evaluated the relative importance of environmental characteristics on fish occupancy at the local and landscape scales within the upper Little Tennessee River basin of Georgia and North Carolina. Fishes were sampled using a quadrat sample design at 525 channel units within 48 study reaches during two consecutive years. We evaluated species–habitat relationships (local and landscape factors) by developing hierarchical, multispecies occupancy models. Modeling results suggested that fish occupancy within the Little Tennessee River basin was primarily influenced by stream topology and topography, urban land coverage, and channel unit types. Landscape scale factors (e.g., urban land coverage and elevation) largely controlled the fish assemblage structure at a stream-reach level, and local-scale factors (i.e., channel unit types) influenced fish distribution within stream reaches. Our study demonstrates the utility of a multi-scaled approach and the need to account for hierarchy and the interscale interactions of factors influencing assemblage structure prior to monitoring fish assemblages, developing biological management plans, or allocating management resources throughout a stream system.

Mechanism of the formation of the RecA-ssDNA nucleoprotein filament structure: a coarse-grained approach.

PubMed

Mukherjee, Goutam; Pal, Arumay; Levy, Yaakov

2017-11-21

In prokaryotes, the RecA protein catalyzes the repair and strand exchange of double-stranded DNA. RecA binds to single-stranded DNA (ssDNA) and forms a presynaptic complex in which the protein polymerizes around the ssDNA to form a right-handed helical nucleoprotein filament structure. In the present work, the mechanism for the formation of the RecA-ssDNA filament structure is modeled using coarse-grained molecular dynamics simulations. Information from the X-ray structure was used to model the protein itself but not its interactions; the interactions between the protein and the ssDNA were modeled solely by electrostatic, aromatic, and repulsive energies. For the present study, the monomeric, dimeric, and trimeric units of RecA and 4, 8, and 11 NT-long ssDNA, respectively, were studied. Our results indicate that monomeric RecA is not sufficient for nucleoprotein filament formation; rather, dimeric RecA is the elementary binding unit, with higher multimeric units of RecA facilitating filament formation. Our results reveal that loop region flexibility at the primary binding site of RecA is essential for it to bind the incoming ssDNA, that the aromatic residues present in the loop region play an important role in ssDNA binding, and that ATP may play a role in guiding the ssDNA by changing the electrostatic potential of the RecA protein.

Stratigraphy and structure of coalbed methane reservoirs in the United States: an overview

USGS Publications Warehouse

Pashin, J.C.

1998-01-01

Stratigraphy and geologic structure determine the shape, continuity and permeability of coal and are therefore critical considerations for designing exploration and production strategies for coalbed methane. Coal in the United states is dominantly of Pennsylvanian, Cretaceous and Tertiary age, and to date, more than 90% of the coalbed methane produced is from Pennsylvanian and cretaceous strata of the Black Warrior and San Juan Basins. Investigations of these basins establish that sequence stratigraphy is a promising approach for regional characterization of coalbed methane reservoirs. Local stratigraphic variation within these strata is the product of sedimentologic and tectonic processes and is a consideration for selecting completion zones. Coalbed methane production in the United States is mainly from foreland and intermontane basins containing diverse compression and extensional structures. Balanced structural models can be used to construct and validate cross sections as well as to quantify layer-parallel strain and predict the distribution of fractures. Folds and faults influence gas and water production in diverse ways. However, interwell heterogeneity related to fractures and shear structures makes the performance of individual wells difficult to predict.Stratigraphy and geologic structure determine the shape, continuity and permeability of coal and are therefore critical considerations for designing exploration and production strategies for coalbed methane. Coal in the United States is dominantly of Pennsylvanian, Cretaceous and Tertiary age, and to date, more than 90% of the coalbed methane produced is from Pennsylvanian and Cretaceous strata of the Black Warrior and San Juan Basins. Investigations of these basins establish that sequence stratigraphy is a promising approach for regional characterization of coalbed methane reservoirs. Local stratigraphic variation within these strata is the product of sedimentologic and tectonic processes and is a consideration for selecting completion zones. Coalbed methane production in the United States is mainly from foreland and intermontane basins containing diverse compressional and extensional structures. Balanced structural models can be used to construct and validate cross sections as well as to quantify layer-parallel strain and predict the distribution of fractures. Folds and faults influence gas and water production in diverse ways. However, interwell heterogeneity related to fractures and shear structures makes the performance of individual wells difficult to predict.

Local dependence in random graph models: characterization, properties and statistical inference

PubMed Central

Schweinberger, Michael; Handcock, Mark S.

2015-01-01

Summary Dependent phenomena, such as relational, spatial and temporal phenomena, tend to be characterized by local dependence in the sense that units which are close in a well-defined sense are dependent. In contrast with spatial and temporal phenomena, though, relational phenomena tend to lack a natural neighbourhood structure in the sense that it is unknown which units are close and thus dependent. Owing to the challenge of characterizing local dependence and constructing random graph models with local dependence, many conventional exponential family random graph models induce strong dependence and are not amenable to statistical inference. We take first steps to characterize local dependence in random graph models, inspired by the notion of finite neighbourhoods in spatial statistics and M-dependence in time series, and we show that local dependence endows random graph models with desirable properties which make them amenable to statistical inference. We show that random graph models with local dependence satisfy a natural domain consistency condition which every model should satisfy, but conventional exponential family random graph models do not satisfy. In addition, we establish a central limit theorem for random graph models with local dependence, which suggests that random graph models with local dependence are amenable to statistical inference. We discuss how random graph models with local dependence can be constructed by exploiting either observed or unobserved neighbourhood structure. In the absence of observed neighbourhood structure, we take a Bayesian view and express the uncertainty about the neighbourhood structure by specifying a prior on a set of suitable neighbourhood structures. We present simulation results and applications to two real world networks with ‘ground truth’. PMID:26560142

The Intrapsychics of Gender: A Model of Self-Socialization

ERIC Educational Resources Information Center

Tobin, Desiree D.; Menon, Meenakshi; Menon, Madhavi; Spatta, Brooke C.; Hodges, Ernest V. E.; Perry, David G.

2010-01-01

This article outlines a model of the structure and the dynamics of gender cognition in childhood. The model incorporates 3 hypotheses featured in different contemporary theories of childhood gender cognition and unites them under a single theoretical framework. Adapted from Greenwald et al. (2002), the model distinguishes three constructs: gender…

Structural basis for the enhanced stability of protein model compounds and peptide backbone unit in ammonium ionic liquids.

PubMed

Vasantha, T; Attri, Pankaj; Venkatesu, Pannuru; Devi, R S Rama

2012-10-04

Protein folding/unfolding is a fascinating study in the presence of cosolvents, which protect/disrupt the native structure of protein, respectively. The structure and stability of proteins and their functional groups may be modulated by the addition of cosolvents. Ionic liquids (ILs) are finding a vast array of applications as novel cosolvents for a wide variety of biochemical processes that include protein folding. Here, the systematic and quantitative apparent transfer free energies (ΔG'(tr)) of protein model compounds from water to ILs through solubility measurements as a function of IL concentration at 25 °C have been exploited to quantify and interpret biomolecular interactions between model compounds of glycine peptides (GPs) with ammonium based ILs. The investigated aqueous systems consist of zwitterionic glycine peptides: glycine (Gly), diglycine (Gly(2)), triglycine (Gly(3)), tetraglycine (Gly(4)), and cyclic glycylglycine (c(GG)) in the presence of six ILs such as diethylammonium acetate (DEAA), diethylammonium hydrogen sulfate (DEAS), triethylammonium acetate (TEAA), triethylammonium hydrogen sulfate (TEAS), triethylammonium dihydrogen phosphate (TEAP), and trimethylammonium acetate (TMAA). We have observed positive values of ΔG'(tr) for GPs from water to ILs, indicating that interactions between ILs and GPs are unfavorable, which leads to stabilization of the structure of model protein compounds. Moreover, our experimental data ΔG'(tr) is used to obtain transfer free energies (Δg'(tr)) of the peptide backbone unit (or glycyl unit) (-CH(2)C═ONH-), which is the most numerous group in globular proteins, from water to IL solutions. To obtain the mechanism events of the ILs' role in enhancing the stability of the model compounds, we have further obtained m-values for GPs from solubility limits. These results explicitly elucidate that all alkyl ammonium ILs act as stabilizers for model compounds through the exclusion of ILs from model compounds of proteins and also reflect the effect of alkyl chain on the stability of protein model compounds.

A structural model for surface-enhanced stabilization in some metallic glass formers

NASA Astrophysics Data System (ADS)

Levchenko, Elena V.; Evteev, Alexander V.; Yavari, Alain R.; Louzguine-Luzgin, Dmitri V.; Belova, Irina V.; Murch, Graeme E.

2013-01-01

A structural model for surface-enhanced stabilization in some metallic glass formers is proposed. In this model, the alloy surface structure is represented by five-layer Kagomé-net-based lateral ordering. Such surface structure has intrinsic abilities to stabilize icosahedral-like short-range order in the bulk, acting as 'a cloak of liquidity'. In particular, recent experimental observations of surface-induced lateral ordering and a very high glass forming ability of the liquid alloy Au49Ag5.5Pd2.3Cu26.9Si16.3 can be united using this structural model. This model may be useful for the interpretation of surface structure of other liquid alloys with a high glass forming ability. In addition, it suggests the possibility of guiding the design of the surface coating of solid containers for the stabilization of undercooled liquids.

Physical Models Have Gender-Specific Effects on Student Understanding of Protein Structure-Function Relationships

ERIC Educational Resources Information Center

Forbes-Lorman, Robin M.; Harris, Michelle A.; Chang, Wesley S.; Dent, Erik W.; Nordheim, Erik V.; Franzen, Margaret A.

2016-01-01

Understanding how basic structural units influence function is identified as a foundational/core concept for undergraduate biological and biochemical literacy. It is essential for students to understand this concept at all size scales, but it is often more difficult for students to understand structure-function relationships at the molecular…

Three-Dimensional Geologic Model of Complex Fault Structures in the Upper Seco Creek Area, Medina and Uvalde Counties, South-Central Texas

USGS Publications Warehouse

Pantea, Michael P.; Cole, James C.; Smith, Bruce D.; Faith, Jason R.; Blome, Charles D.; Smith, David V.

2008-01-01

This multimedia report shows and describes digital three-dimensional faulted geologic surfaces and volumes of the lithologic units of the Edwards aquifer in the upper Seco Creek area of Medina and Uvalde Counties in south-central Texas. This geologic framework model was produced using (1) geologic maps and interpretations of depositional environments and paleogeography; (2) lithologic descriptions, interpretations, and geophysical logs from 31 drill holes; (3) rock core and detailed lithologic descriptions from one drill hole; (4) helicopter electromagnetic geophysical data; and (5) known major and minor faults in the study area. These faults were used because of their individual and collective effects on the continuity of the aquifer-forming units in the Edwards Group. Data and information were compared and validated with each other and reflect the complex relationships of structures in the Seco Creek area of the Balcones fault zone. This geologic framework model can be used as a tool to visually explore and study geologic structures within the Seco Creek area of the Balcones fault zone and to show the connectivity of hydrologic units of high and low permeability between and across faults. The software can be used to display other data and information, such as drill-hole data, on this geologic framework model in three-dimensional space.

Proposal for a new CAPE-OPEN Object Model

EPA Science Inventory

Process simulation applications require the exchange of significant amounts of data between the flowsheet environment, unit operation model, and thermodynamic server. Packing and unpacking various data types and exchanging data using structured text-based architectures, including...

Bolt installation tool for tightening large nuts and bolts

NASA Technical Reports Server (NTRS)

Mcdougal, A. R.; Norman, R. M.

1974-01-01

Large bolts and nuts are accurately tightened to structures without damaging torque stresses. There are two models of bolt installation tool. One is rigidly mounted and one is hand held. Each model includes torque-multiplier unit.

Coordinated control system modelling of ultra-supercritical unit based on a new T-S fuzzy structure.

PubMed

Hou, Guolian; Du, Huan; Yang, Yu; Huang, Congzhi; Zhang, Jianhua

2018-03-01

The thermal power plant, especially the ultra-supercritical unit is featured with severe nonlinearity, strong multivariable coupling. In order to deal with these difficulties, it is of great importance to build an accurate and simple model of the coordinated control system (CCS) in the ultra-supercritical unit. In this paper, an improved T-S fuzzy model identification approach is proposed. First of all, the k-means++ algorithm is employed to identify the premise parameters so as to guarantee the number of fuzzy rules. Then, the local linearized models are determined by using the incremental historical data around the cluster centers, which are obtained via the stochastic gradient descent algorithm with momentum and variable learning rate. Finally, with the proposed method, the CCS model of a 1000 MW USC unit in Tai Zhou power plant is developed. The effectiveness of the proposed approach is validated by the given extensive simulation results, and it can be further employed to design the overall advanced controllers for the CCS in an USC unit. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

NASA Astrophysics Data System (ADS)

He, Yi; Liwo, Adam; Scheraga, Harold A.

2015-12-01

Coarse-grained models are useful tools to investigate the structural and thermodynamic properties of biomolecules. They are obtained by merging several atoms into one interaction site. Such simplified models try to capture as much as possible information of the original biomolecular system in all-atom representation but the resulting parameters of these coarse-grained force fields still need further optimization. In this paper, a force field optimization method, which is based on maximum-likelihood fitting of the simulated to the experimental conformational ensembles and least-squares fitting of the simulated to the experimental heat-capacity curves, is applied to optimize the Nucleic Acid united-RESidue 2-point (NARES-2P) model for coarse-grained simulations of nucleic acids recently developed in our laboratory. The optimized NARES-2P force field reproduces the structural and thermodynamic data of small DNA molecules much better than the original force field.

Lattice Boltzmann Methods for Fluid Structure Interaction

DTIC Science & Technology

2012-09-01

MONTEREY, CALIFORNIA DISSERTATION LATTICE BOLTZMANN METHODS FOR FLUID STRUCTURE INTERACTION by Stuart R. Blair September 2012 Dissertation Supervisor...200 words) The use of lattice Boltzmann methods (LBM) for fluid flow and its coupling with finite element method (FEM) structural models for fluid... structure interaction (FSI) is investigated. A body of high performance LBM software that exploits graphic processing unit (GPU) and multiprocessor

Interdisciplinary approach to exploit the tectonic memory in the continental crust of collisional belts.

NASA Astrophysics Data System (ADS)

Gosso, G.; Marotta, A. M.; Rebay, G.; Regorda, A.; Roda, M.; Spalla, M. I.; Zanoni, D.; Zucali, M.

2015-12-01

Collisional belts result by thoroughly competing thermo-mechanical disaggregation and coupling within both continental and oceanic lithospheric slices, during construction of tectono-metamorphic architectures. In multiply reworked metamorphics, tectonic units may be contoured nowadays on the base of coherent thermo-baric and structural time-sequences rather than simply relying on lithologic affinities. Sequences of equilibrium assemblages and related fabric imprints are an approach that appears as a more reliable procedure, that enables to define tectonic units as the volume of crustal slices that underwent corresponding variations during the dynamics of an active margin and takes into account a history of physical imprints. The dimensions of these tectonic units may have varied over time and must be reconstructed combining the tracers of structural and metamorphic changes of basement rocks, since such kind of tectono-metamorphic units (TMUs) is a realistic configuration of the discrete portions of orogenic crust that experienced a coherent sequence of metamorphic and textural variations. Their translational trajectories, and bulk shape changes during deformation, cannot simply be derived from the analysis of the geometries and kinematics of tectonic units, but are to be obtained by adding the reconstruction of quantitative P-T-d-t paths making full use of fossil mineral equilibria. The joint TMU field-and-laboratory definition is an investigation procedure that bears a distinct thermo-tectonic connotation, that, through modelling, offers the opportunity to test the physical compatibilities of plate-scale interconnected variables, such as density, viscosity, and heat transfer, with respect to what current interpretative geologic histories may imply. Comparison between predictions from numerical modelling and natural data obtained by this analytical approach can help to solve ambiguities on geodynamic significance of structural and thermal signatures, also as a function of tectonic rate of simulated convergent or divergent kinematics. In addition the estimate of structurally and mineral-chemically re-equilibrated volumes assists the choice of physical parameters selected to constrain numerical models.

Towards a Structural-Environmental Model of Risk for HIV and Problem Drinking in Latino Labor Migrants: The Case of Day Laborers

ERIC Educational Resources Information Center

Organista, Kurt C.

2007-01-01

The purpose of this article is to describe a researchable conceptual model of structural-environmental (SE) risk for HIV and problem drinking in Latino labor migrants (LLMs) in the United States, with an emphasis on day laborers. Implications for developing SE prevention interventions that target risky situations, embedded in stressful living and…

Physical, structural and optical characterizations of borate modified bismuth-silicate-tellurite glasses

NASA Astrophysics Data System (ADS)

Berwal, Neelam; Kundu, R. S.; Nanda, Kirti; Punia, R.; Kishore, N.

2015-10-01

Quaternary bismuthate glasses with compositions xB2O3-(80 - x) Bi2O3-15SiO2-5TeO2 have been prepared by melt-quench technique. X-ray diffraction studies were performed to ascertain the amorphous nature of samples. The density, molar volume and crystalline volume decrease with increase in B2O3 content whereas the glass transition temperature shows the reverse trend. The Raman and FTIR spectra of the studied glasses indicate that B2O3 has been found to exist in the form of BO3 trigonal and BO4 tetrahedral structural units and vibrations corresponding to these structural units increase with increase in B2O3 content. SiO2 is present in the form of SiO4 tetrahedral structural units and TeO2 in the form of TeO3 structural units. Bismuth plays the role of network modifier [BiO6 octahedra] as well as network former [BiO3 pyramids] for all the glass compositions. The optical band gap energy has been calculated from the fitting of both Mott and Davis's model and Hydrogenic excitonic model with the experimentally observed absorption spectra. A good fitting of experimental data with HEM indicates the excitonic formation in the studies glass system. The values of optical band gap energy show nonlinear behavior due to the structural changes that take place in the present glass samples. The Urbach energy calculated using Urbach empirical formula for studied glass samples suggest the possibility of reduction in defect concentrations. The metallization criterion of the presently studied samples suggests that the prepared glasses may be potential candidates for nonlinear optical applications.

Deep resistivity structure of Yucca Flat, Nevada Test Site, Nevada

USGS Publications Warehouse

Asch, Theodore H.; Rodriguez, Brian D.; Sampson, Jay A.; Wallin, Erin L.; Williams, Jackie M.

2006-01-01

The Department of Energy (DOE) and the National Nuclear Security Administration (NNSA) at their Nevada Site Office are addressing groundwater contamination resulting from historical underground nuclear testing through the Environmental Management program and, in particular, the Underground Test Area project. One issue of concern is the nature of the somewhat poorly constrained pre Tertiary geology and its effects on ground-water flow in the area adjacent to a nuclear test. Ground water modelers would like to know more about the hydrostratigraphy and geologic structure to support a hydrostratigraphic framework model that is under development for the Yucca Flat Corrective Action Unit (CAU). During 2003, the U.S. Geological Survey, supported by the DOE and NNSA-NSO, collected and processed data from 51 magnetotelluric (MT) and audio-magnetotelluric (AMT) stations at the Nevada Test Site in and near Yucca Flat to assist in characterizing the pre-Tertiary geology in that area. The primary purpose was to refine the character, thickness, and lateral extent of pre Tertiary confining units. In particular, a major goal has been to define the upper clastic confining unit (late Devonian - Mississippian-age siliciclastic rocks assigned to the Eleana Formation and Chainman Shale) in the Yucca Flat area. The MT and AMT data have been released in separate USGS Open File Reports. The Nevada Test Site magnetotelluric data interpretation presented in this report includes the results of detailed two-dimensional (2 D) resistivity modeling for each profile (including alternative interpretations) and gross inferences on the three dimensional (3 D) character of the geology beneath each station. The character, thickness, and lateral extent of the Chainman Shale and Eleana Formation that comprise the Upper Clastic Confining Unit are generally well determined in the upper 5 km. Inferences can be made regarding the presence of the Lower Clastic Confining Unit at depths below 5 km. Large fault structures such as the CP Thrust fault, the Carpetbag fault, and the Yucca fault that cross Yucca Flat are also discernable as are other smaller faults. The subsurface electrical resistivity distribution and inferred geologic structures determined by this investigation should help constrain the hydrostratigraphic framework model that is under development.

Boron environments in Pyrex® glass--a high resolution, Double-Rotation NMR and thermodynamic modelling study.

PubMed

Howes, A P; Vedishcheva, N M; Samoson, A; Hanna, J V; Smith, M E; Holland, D; Dupree, R

2011-07-07

It is shown, using the important technological glass Pyrex® as an example, that 1D and 2D (11)B Double-Rotation (DOR) NMR experiments, in combination with thermodynamic modelling, are able to provide unique structural information about complex glasses. (11)B DOR NMR has been applied to Pyrex® glass in order to remove both dipolar and quadrupolar broadening of the NMR lines, leading to high resolution spectra that allow unambiguous, accurate peak fitting to be carried out, of particular importance in the case of the 3-coordinated [BO(3)] (B3) trigonal planar environments. The data obtained are of sufficient quality that they can be used to test the distributions of borate and borosilicate superstructural units predicted by the thermodynamics-based Model of Associated Solutions. The model predicts the dominant boron-containing chemical groupings in Pyrex® glass to be those associated with B(2)O(3) and sodium tetraborate (with smaller amounts of sodium triborate, sodium diborate, sodium pentaborate, danburite and reedmergnerite). Excellent agreement is found between model and experiment provided the (11)B peaks with isotropic chemical shifts of -1.4 ppm and 0.5 ppm are assigned to B4 species from borosilicate units ([B(OSi)(4)] and [B(OSi)(3)(OB)]) and borate superstructural units (mainly triborate rings with some pentaborate and diborate) respectively. The peaks with isotropic shifts of 14 ppm and 18.1 ppm are then assigned to B3 in borate superstructural units (mainly triborate and pentaborate along with connecting B3) and boroxol rings respectively. The assignments of the DOR NMR peaks, are supported by the presence of cross-peaks in (11)B spin-diffusion DOR NMR spectra which can be used to develop a structural model in which B(2)O(3)-like regions are linked, via borate and borosilicate superstructural units, to the majority silica network. Pyrex® is thus shown to have a heterogeneous structure, with distinct molecular groupings that are far removed from a random distribution of network polyhedra with only short-range order. This journal is © the Owner Societies 2011

The replication domain model: regulating replicon firing in the context of large-scale chromosome architecture.

PubMed

Pope, Benjamin D; Gilbert, David M

2013-11-29

The "Replicon Theory" of Jacob, Brenner, and Cuzin has reliably served as the paradigm for regulating the sites where individual replicons initiate replication. Concurrent with the replicon model was Taylor's demonstration that plant and animal chromosomes replicate segmentally in a defined temporal sequence, via cytologically defined units too large to be accounted for by a single replicon. Instead, there seemed to be a program to choreograph when chromosome units replicate during S phase, executed by initiation at clusters of individual replicons within each segment. Here, we summarize recent molecular evidence for the existence of such units, now known as "replication domains", and discuss how the organization of large chromosomes into structural units has added additional layers of regulation to the original replicon model. Copyright © 2012 Elsevier Ltd. All rights reserved.

Data-driven modeling and predictive control for boiler-turbine unit using fuzzy clustering and subspace methods.

PubMed

Wu, Xiao; Shen, Jiong; Li, Yiguo; Lee, Kwang Y

2014-05-01

This paper develops a novel data-driven fuzzy modeling strategy and predictive controller for boiler-turbine unit using fuzzy clustering and subspace identification (SID) methods. To deal with the nonlinear behavior of boiler-turbine unit, fuzzy clustering is used to provide an appropriate division of the operation region and develop the structure of the fuzzy model. Then by combining the input data with the corresponding fuzzy membership functions, the SID method is extended to extract the local state-space model parameters. Owing to the advantages of the both methods, the resulting fuzzy model can represent the boiler-turbine unit very closely, and a fuzzy model predictive controller is designed based on this model. As an alternative approach, a direct data-driven fuzzy predictive control is also developed following the same clustering and subspace methods, where intermediate subspace matrices developed during the identification procedure are utilized directly as the predictor. Simulation results show the advantages and effectiveness of the proposed approach. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

The role of the Sheffield model on the minimum unit pricing of alcohol debate: the importance of a rhetorical perspective.

PubMed

Katikireddi, Srinivasa Vittal; Hilton, Shona; Bond, Lyndal

2016-11-01

The minimum unit pricing (MUP) alcohol policy debate has been informed by the Sheffield model, a study which predicts impacts of different alcohol pricing policies. This paper explores the Sheffield model's influences on the policy debate by drawing on 36 semi-structured interviews with policy actors who were involved in the policy debate. Although commissioned by policy makers, the model's influence has been far broader than suggested by views of 'rational' policy making. While findings from the Sheffield model have been used in instrumental ways, they have arguably been more important in helping debate competing values underpinning policy goals.

Active-Reserve Force Cost Model

DTIC Science & Technology

2015-01-01

structure to be maintained for a given level of expenditure. We have developed this methodology and set of associated computer-based tools to...rotational, and deployed units or systems • Attain acceptable steady state operational or presence levels , as measured by the number of units a...at the community level . By community, we mean the set of units of a given type: mission, platform, or capability. We do this because AC-RC force-mix

Relationship between unit cell type and porosity and the fatigue behavior of selective laser melted meta-biomaterials.

PubMed

Amin Yavari, S; Ahmadi, S M; Wauthle, R; Pouran, B; Schrooten, J; Weinans, H; Zadpoor, A A

2015-03-01

Meta-materials are structures when their small-scale properties are considered, but behave as materials when their homogenized macroscopic properties are studied. There is an intimate relationship between the design of the small-scale structure and the homogenized properties of such materials. In this article, we studied that relationship for meta-biomaterials that are aimed for biomedical applications, otherwise known as meta-biomaterials. Selective laser melted porous titanium (Ti6Al4V ELI) structures were manufactured based on three different types of repeating unit cells, namely cube, diamond, and truncated cuboctahedron, and with different porosities. The morphological features, static mechanical properties, and fatigue behavior of the porous biomaterials were studied with a focus on their fatigue behavior. It was observed that, in addition to static mechanical properties, the fatigue properties of the porous biomaterials are highly dependent on the type of unit cell as well as on porosity. None of the porous structures based on the cube unit cell failed after 10(6) loading cycles even when the applied stress reached 80% of their yield strengths. For both other unit cells, higher porosities resulted in shorter fatigue lives for the same level of applied stress. When normalized with respect to their yield stresses, the S-N data points of structures with different porosities very well (R(2)>0.8) conformed to one single power law specific to the type of the unit cell. For the same level of normalized applied stress, the truncated cuboctahedron unit cell resulted in a longer fatigue life as compared to the diamond unit cell. In a similar comparison, the fatigue lives of the porous structures based on both truncated cuboctahedron and diamond unit cells were longer than that of the porous structures based on the rhombic dodecahedron unit cell (determined in a previous study). The data presented in this study could serve as a basis for design of porous biomaterials as well as for corroboration of relevant analytical and computational models. Copyright © 2014 Elsevier Ltd. All rights reserved.

User Guide for HUFPrint, A Tabulation and Visualization Utility for the Hydrogeologic-Unit Flow (HUF) Package of MODFLOW

USGS Publications Warehouse

Banta, Edward R.; Provost, Alden M.

2008-01-01

This report documents HUFPrint, a computer program that extracts and displays information about model structure and hydraulic properties from the input data for a model built using the Hydrogeologic-Unit Flow (HUF) Package of the U.S. Geological Survey's MODFLOW program for modeling ground-water flow. HUFPrint reads the HUF Package and other MODFLOW input files, processes the data by hydrogeologic unit and by model layer, and generates text and graphics files useful for visualizing the data or for further processing. For hydrogeologic units, HUFPrint outputs such hydraulic properties as horizontal hydraulic conductivity along rows, horizontal hydraulic conductivity along columns, horizontal anisotropy, vertical hydraulic conductivity or anisotropy, specific storage, specific yield, and hydraulic-conductivity depth-dependence coefficient. For model layers, HUFPrint outputs such effective hydraulic properties as horizontal hydraulic conductivity along rows, horizontal hydraulic conductivity along columns, horizontal anisotropy, specific storage, primary direction of anisotropy, and vertical conductance. Text files tabulating hydraulic properties by hydrogeologic unit, by model layer, or in a specified vertical section may be generated. Graphics showing two-dimensional cross sections and one-dimensional vertical sections at specified locations also may be generated. HUFPrint reads input files designed for MODFLOW-2000 or MODFLOW-2005.

The Silent Canyon caldera complex: a three-dimensional model based on drill-hole stratigraphy and gravity inversion

USGS Publications Warehouse

McKee, Edwin H.; Hildenbrand, Thomas G.; Anderson, Megan L.; Rowley, Peter D.; Sawyer, David A.

1999-01-01

The structural framework of Pahute Mesa, Nevada, is dominated by the Silent Canyon caldera complex, a buried, multiple collapse caldera complex. Using the boundary surface between low density Tertiary volcanogenic rocks and denser granitic and weakly metamorphosed sedimentary rocks (basement) as the outer fault surfaces for the modeled collapse caldera complex, it is postulated that the caldera complex collapsed on steeply- dipping arcuate faults two, possibly three, times following eruption of at least two major ash-flow tuffs. The caldera and most of its eruptive products are now deeply buried below the surface of Pahute Mesa. Relatively low-density rocks in the caldera complex produce one of the largest gravity lows in the western conterminous United States. Gravity modeling defines a steep sided, cup-shaped depression as much as 6,000 meters (19,800 feet) deep that is surrounded and floored by denser rocks. The steeply dipping surface located between the low-density basin fill and the higher density external rocks is considered to be the surface of the ring faults of the multiple calderas. Extrapolation of this surface upward to the outer, or topographic rim, of the Silent Canyon caldera complex defines the upper part of the caldera collapse structure. Rock units within and outside the Silent Canyon caldera complex are combined into seven hydrostratigraphic units based on their predominant hydrologic characteristics. The caldera structures and other faults on Pahute Mesa are used with the seven hydrostratigraphic units to make a three-dimensional geologic model of Pahute Mesa using the "EarthVision" (Dynamic Graphics, Inc.) modeling computer program. This method allows graphic representation of the geometry of the rocks and produces computer generated cross sections, isopach maps, and three-dimensional oriented diagrams. These products have been created to aid in visualizing and modeling the ground-water flow system beneath Pahute Mesa.

The effect of local atomic structure on the optical properties of GeSi self-assembled islands buried in silicon matrix

NASA Astrophysics Data System (ADS)

Demchenko, I. N.; Lawniczak-Jablonska, K.; Kret, S.; Novikov, A. V.; Laval, J.-Y.; Zak, M.; Szczepanska, A.; Yablonskiy, A. N.; Krasilnik, Z. F.

2007-03-01

The local atomic structure of GeSi self-assembled islands buried in a silicon matrix strongly influences the optical properties of such systems. In the present paper this structure was determined by x-ray absorption fine-structure (XAFS) spectroscopy and high resolution transmission electron microscopy (HRTEM) and used to build a schematic description of the band structure model. Quantitative analysis of the extended XAFS (EXAFS) spectrum was performed for three coordination shells around the Ge absorbing atom with multiple scattering taken into account. It was proved that the coordination number of elements in an alloy resulting from EXAFS analysis for all three coordination spheres (i.e. 'mixing degree' parameters) cannot be taken as the concentration of alloy but can be used together with a proper model of the alloy unit cell to calculate a realistic concentration. The fraction of Ge calculated in this way is consistent with HRTEM results. The found model of the unit cell was used to generate a x-ray absorption near edge structure spectrum by ab initio calculations. This approach yielded a spectrum in good agreement with the experimental one. The information gained from XAFS and HRTEM was then used for calculation of the band structure diagram. Results of the calculation are discussed and compared with the experimental photoluminescence spectrum.

Evaluation of Multi-Level Support Structure Requirements for New Weapon Systems.

DTIC Science & Technology

1987-09-01

transformer 1 total consumed manhours on this level 19.45 hrs average manhrs within 4 weeks on this level : .38 hrs average rounded number of mainten; personal ...major unit data to provide conclusions about the logistics behavior of failing weapon systems. The modeling of system behavior with CAESAR has severa-l...characteristic data and major unit data to provide conclusions about the logistics behavior of failing weapon systems. The modelling of system behavior

Simulating the Heterogeneity in Braided Channel Belt Deposits: 2. Examples of Results and Comparison to Natural Deposits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guin, Arijit; Ramanathan, Ramya; Ritzi, Robert W.

In Part 1 of this series we presented a methodology and a code for modeling the hierarchical sedimentary architecture in braided channel belt deposits. Here, in Part 2, the code was used to create a digital model of this architecture, and the corresponding spatial distribution of permeability. The simulated architecture was compared to the real stratal architecture observed in an abandoned channel belt of the Sagavanirktok River, Alaska by Lunt et al. (2004). The comparisons included assessments of similarity which were both qualitative and quantitative. From the qualitative comparisons we conclude that a synthetic deposit created by the code hasmore » unit types, at each level, with a geometry which is generally consistent with the geometry of unit types observed in the field. The digital unit types would generally be recognized as representing their counterparts in nature, including cross stratasets, lobate and scroll bar deposits, channel fills, etc. Furthermore, the synthetic deposit has a hierarchical spatial relationship among these units which represents how the unit types are observed in field exposures and in geophysical images. In quantitative comparisons the proportions and the length, width, and height of unit types at different scales, across all levels of the stratal hierarchy compare well between the digital and the natural deposits. A number of important attributes of the channel belt model were shown to be influenced by more than one level within the hierarchy of stratal architecture. First, the high-permeability open-framework gravels percolated at all levels and thus formed preferential flow pathways. Open framework gravels are indeed known to form preferential flow pathways in natural channel belt deposits. The nature of a percolating cluster changed across different levels of the hierarchy of stratal architecture. As a result of this geologic structure, the percolation occurs at proportions of open-framework gravels below the theoretical percolation threshold for random infinite media. Second, when the channel belt model was populated with permeability distributions by lowest-level unit type, the composite permeability semivariogram contained structures that were identifiable at more than one scale, and each of these structures could be directly linked to unit types of different scales existing at different levels within the hierarchy of strata. These collective results are encouraging with respect to our goal that this model be relevant as a base case in future studies for testing ideas in research addressing the upscaling problem in aquifers and reservoirs with multi-scale heterogeneity.« less

A simple metric to predict stream water quality from storm runoff in an urban watershed.

PubMed

Easton, Zachary M; Sullivan, Patrick J; Walter, M Todd; Fuka, Daniel R; Petrovic, A Martin; Steenhuis, Tammo S

2010-01-01

The contribution of runoff from various land uses to stream channels in a watershed is often speculated and used to underpin many model predictions. However, these contributions, often based on little or no measurements in the watershed, fail to appropriately consider the influence of the hydrologic location of a particular landscape unit in relation to the stream network. A simple model was developed to predict storm runoff and the phosphorus (P) status of a perennial stream in an urban watershed in New York State using the covariance structure of runoff from different landscape units in the watershed to predict runoff in time. One hundred and twenty-seven storm events were divided into parameterization (n = 85) and forecasting (n = 42) data sets. Runoff, dissolved P (DP), and total P (TP) were measured at nine sites distributed among three land uses (high maintenance, unmaintained, wooded), three positions in the watershed (near the outlet, midwatershed, upper watershed), and in the stream at the watershed outlet. The autocorrelation among runoff and P concentrations from the watershed landscape units (n = 9) and the covariance between measurements from the landscape units and measurements from the stream were calculated and used to predict the stream response. Models, validated using leave-one-out cross-validation and a forecasting method, were able to correctly capture temporal trends in streamflow and stream P chemistry (Nash-Sutcliffe efficiencies, 0.49-0.88). The analysis suggests that the covariance structure was consistent for all models, indicating that the physical processes governing runoff and P loss from these landscape units were stationary in time and that landscapes located in hydraulically active areas have a direct hydraulic link to the stream. This methodology provides insight into the impact of various urban landscape units on stream water quantity and quality.

Reflexions sur les marqueurs de structuration de la conversation (Considerations on the Structural Markers of Conversation).

ERIC Educational Resources Information Center

Auchlin, Antoine

1981-01-01

Examines morphemic markers that signal the opening and closing of discourse units, emphasizing their complexity and their central role for a descriptive model of conversation. Then proceeds to analyze their functions within the overall structure of conversation, classifying them according to their properties and uses. Societe Nouvelle Didier…

Biomechanical comparison of two different collar structured implants supporting 3-unit fixed partial denture: a 3-D FEM study.

PubMed

Meriç, Gökçe; Erkmen, Erkan; Kurt, Ahmet; Eser, Atilim; Ozden, Ahmet Utku

2012-01-01

The purpose of the study was to compare the effects of two distinct collar geometries of implants on stress distribution in the bone as well as in the fixture-abutment complex, in the framework and in the veneering material of 3-unit fixed partial denture (FPD). The 3-dimensional finite element analysis method was selected to evaluate the stress distribution in the system composed of 3-unit FPD supported by two different dental implant systems with two distinct collar geometries; microthread collar structure (MCS) and non-microthread collar structure (NMCS). In separate load cases, 300 N vertical, 150 N oblique and 60 N horizontal, forces were utilized to simulate the multidirectional chewing forces. Tensile and compressive stress values in the cortical and cancellous bone and von Mises stresses in the fixture-abutment complex, in the framework and veneering material, were simulated as a body and investigated separately. In the cortical bone lower stress values were found in the MCS model, when compared with NMCS. In the cancellous bone, lower stress values were observed in the NMCS model when compared with MCS. In the implant-abutment complex, highest von Mises stress values were noted in the NMCS model; however, in the framework and veneering material, highest stress values were calculated in MCS model. MCS implants when compared with NMCS implants supporting 3-unit FPDs decrease the stress values in the cortical bone and implant-abutment complex. The results of the present study will be evaluated as a base for our ongoing FEA studies focused on stress distribution around the microthread and non-microthread collar geometries with various prosthesis design.

Crystallographic features of the approximant H (Mn7Si2V) phase in the Mn-Si-V alloy system

NASA Astrophysics Data System (ADS)

Nakayama, Kei; Komatsuzaki, Takumi; Koyama, Yasumasa

2018-07-01

The intermetallic compound H (Mn7Si2V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the approximant H phase, in this study, the crystallographic features of both the H phase and the (σ → H) reaction in Mn-Si-V alloy samples were investigated, mainly by transmission electron microscopy. It was found that, in the H phase, there were characteristic structural disorders with respect to an array of a dodecagonal structural unit consisting of 19 dodecagonal atomic columns. Concretely, penetrated structural units consisting of two dodecagonal structural units were presumed to be typical of such disorders. An interesting feature of the (σ → H) reaction was that regions with a rectangular arrangement of penetrated structural units (RAPU) first appeared in the σ matrix as the initial state, and H regions were then nucleated in contact with RAPU regions. The subsequent conversion of RAPU regions into H regions eventually resulted in the formation of the approximant H state as the final state. Furthermore, atomic positions in both the H structure and the dodecagonal quasicrystal were examined using a simple plane-wave model with 12 plane waves.

Unit cell-based computer-aided manufacturing system for tissue engineering.

PubMed

Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

2012-03-01

Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.

Performance evaluation of automated manufacturing systems using generalized stochastic Petri Nets. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Al-Jaar, Robert Y.; Desrochers, Alan A.

1989-01-01

The main objective of this research is to develop a generic modeling methodology with a flexible and modular framework to aid in the design and performance evaluation of integrated manufacturing systems using a unified model. After a thorough examination of the available modeling methods, the Petri Net approach was adopted. The concurrent and asynchronous nature of manufacturing systems are easily captured by Petri Net models. Three basic modules were developed: machine, buffer, and Decision Making Unit. The machine and buffer modules are used for modeling transfer lines and production networks. The Decision Making Unit models the functions of a computer node in a complex Decision Making Unit Architecture. The underlying model is a Generalized Stochastic Petri Net (GSPN) that can be used for performance evaluation and structural analysis. GSPN's were chosen because they help manage the complexity of modeling large manufacturing systems. There is no need to enumerate all the possible states of the Markov Chain since they are automatically generated from the GSPN model.

Exploring the possibility of a common structural model measuring associations between safety climate factors and safety behaviour in health care and the petroleum sectors.

PubMed

Olsen, Espen

2010-09-01

The aim of the present study was to explore the possibility of identifying general safety climate concepts in health care and petroleum sectors, as well as develop and test the possibility of a common cross-industrial structural model. Self-completion questionnaire surveys were administered in two organisations and sectors: (1) a large regional hospital in Norway that offers a wide range of hospital services, and (2) a large petroleum company that produces oil and gas worldwide. In total, 1919 and 1806 questionnaires were returned from the hospital and petroleum organisation, with response rates of 55 percent and 52 percent, respectively. Using a split sample procedure principal factor analysis and confirmatory factor analysis revealed six identical cross-industrial measurement concepts in independent samples-five measures of safety climate and one of safety behaviour. The factors' psychometric properties were explored with satisfactory internal consistency and concept validity. Thus, a common cross-industrial structural model was developed and tested using structural equation modelling (SEM). SEM revealed that a cross-industrial structural model could be identified among health care workers and offshore workers in the North Sea. The most significant contributing variables in the model testing stemmed from organisational management support for safety and supervisor/manager expectations and actions promoting safety. These variables indirectly enhanced safety behaviour (stop working in dangerous situations) through transitions and teamwork across units, and teamwork within units as well as learning, feedback, and improvement. Two new safety climate instruments were validated as part of the study: (1) Short Safety Climate Survey (SSCS) and (2) Hospital Survey on Patient Safety Culture-short (HSOPSC-short). Based on development of measurements and structural model assessment, this study supports the possibility of a common safety climate structural model across health care and the offshore petroleum industry. 2010 Elsevier Ltd. All rights reserved.

Modeling of unit operating considerations in generating-capacity reliability evaluation. Volume 2. Computer-program documentation. Final report. [GENESIS, OPCON and OPPLAN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patton, A.D.; Ayoub, A.K.; Singh, C.

1982-07-01

This report describes the structure and operation of prototype computer programs developed for a Monte Carlo simulation model, GENESIS, and for two analytical models, OPCON and OPPLAN. It includes input data requirements and sample test cases.

Crystal Model Kits for Use in the General Chemistry Laboratory.

ERIC Educational Resources Information Center

Kildahl, Nicholas J.; And Others

1986-01-01

Dynamic crystal model kits are described. Laboratory experiments in which students use these kits to build models have been extremely successful in providing them with an understanding of the three-dimensional structures of the common cubic unit cells as well as hexagonal and cubic closest-packing of spheres. (JN)

Self-expanding/shrinking structures by 4D printing

NASA Astrophysics Data System (ADS)

Bodaghi, M.; Damanpack, A. R.; Liao, W. H.

2016-10-01

The aim of this paper is to create adaptive structures capable of self-expanding and self-shrinking by means of four-dimensional printing technology. An actuator unit is designed and fabricated directly by printing fibers of shape memory polymers (SMPs) in flexible beams with different arrangements. Experiments are conducted to determine thermo-mechanical material properties of the fabricated part revealing that the printing process introduced a strong anisotropy into the printed parts. The feasibility of the actuator unit with self-expanding and self-shrinking features is demonstrated experimentally. A phenomenological constitutive model together with analytical closed-form solutions are developed to replicate thermo-mechanical behaviors of SMPs. Governing equations of equilibrium are developed for printed structures based on the non-linear Green-Lagrange strain tensor and solved implementing a finite element method along with an iterative incremental Newton-Raphson scheme. The material-structural model is then applied to digitally design and print SMP adaptive lattices in planar and tubular shapes comprising a periodic arrangement of SMP actuator units that expand and then recover their original shape automatically. Numerical and experimental results reveal that the proposed planar lattice as meta-materials can be employed for plane actuators with self-expanding/shrinking features or as structural switches providing two different dynamic characteristics. It is also shown that the proposed tubular lattice with a self-expanding/shrinking mechanism can serve as tubular stents and grippers for bio-medical or piping applications.

Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

PubMed

Doonan, Christian J; Rubie, Nick D; Peariso, Katrina; Harris, Hugh H; Knottenbelt, Sushilla Z; George, Graham N; Young, Charles G; Kirk, Martin L

2008-01-09

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 CoCp2[TpiPrMoVOS(OPh)] and TpiPrMoVIOS(OPh) (TpiPr = 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=S pi* LUMO redox orbital that is formally Mo(dxy) with approximately 35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-Ssulfido 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.

A new similarity measure for link prediction based on local structures in social networks

NASA Astrophysics Data System (ADS)

Aghabozorgi, Farshad; Khayyambashi, Mohammad Reza

2018-07-01

Link prediction is a fundamental problem in social network analysis. There exist a variety of techniques for link prediction which applies the similarity measures to estimate proximity of vertices in the network. Complex networks like social networks contain structural units named network motifs. In this study, a newly developed similarity measure is proposed where these structural units are applied as the source of similarity estimation. This similarity measure is tested through a supervised learning experiment framework, where other similarity measures are compared with this similarity measure. The classification model trained with this similarity measure outperforms others of its kind.

Unitals and ovals of symmetric block designs in LDPC and space-time coding

NASA Astrophysics Data System (ADS)

Andriamanalimanana, Bruno R.

2004-08-01

An approach to the design of LDPC (low density parity check) error-correction and space-time modulation codes involves starting with known mathematical and combinatorial structures, and deriving code properties from structure properties. This paper reports on an investigation of unital and oval configurations within generic symmetric combinatorial designs, not just classical projective planes, as the underlying structure for classes of space-time LDPC outer codes. Of particular interest are the encoding and iterative (sum-product) decoding gains that these codes may provide. Various small-length cases have been numerically implemented in Java and Matlab for a number of channel models.

CSI computer system/remote interface unit acceptance test results

NASA Technical Reports Server (NTRS)

Sparks, Dean W., Jr.

1992-01-01

The validation tests conducted on the Control/Structures Interaction (CSI) Computer System (CCS)/Remote Interface Unit (RIU) is discussed. The CCS/RIU consists of a commercially available, Langley Research Center (LaRC) programmed, space flight qualified computer and a flight data acquisition and filtering computer, developed at LaRC. The tests were performed in the Space Structures Research Laboratory (SSRL) and included open loop excitation, closed loop control, safing, RIU digital filtering, and RIU stand alone testing with the CSI Evolutionary Model (CEM) Phase-0 testbed. The test results indicated that the CCS/RIU system is comparable to ground based systems in performing real-time control-structure experiments.

Deformation patterns in the southwestern part of the Mediterranean Ridge (South Matapan Trench, Western Greece)

NASA Astrophysics Data System (ADS)

Andronikidis, Nikolaos; Kokinou, Eleni; Vafidis, Antonios; Kamberis, Evangelos; Manoutsoglou, Emmanouil

2017-12-01

Seismic reflection data and bathymetry analyses, together with geological information, are combined in the present work to identify seabed structural deformation and crustal structure in the Western Mediterranean Ridge (the backstop and the South Matapan Trench). As a first step, we apply bathymetric data and state of art methods of pattern recognition to automatically detect seabed lineaments, which are possibly related to the presence of tectonic structures (faults). The resulting pattern is tied to seismic reflection data, further assisting in the construction of a stratigraphic and structural model for this part of the Mediterranean Ridge. Structural elements and stratigraphic units in the final model are estimated based on: (a) the detected lineaments on the seabed, (b) the distribution of the interval velocities and the presence of velocity inversions, (c) the continuity and the amplitudes of the seismic reflections, the seismic structure of the units and (d) well and stratigraphic data as well as the main tectonic structures from the nearest onshore areas. Seabed morphology in the study area is probably related with the past and recent tectonics movements that result from African and European plates' convergence. Backthrusts and reverse faults, flower structures and deep normal faults are among the most important extensional/compressional structures interpreted in the study area.

Structural-Functional Analysis Reveals a Specific Domain Organization in Family GH20 Hexosaminidases.

PubMed

Val-Cid, Cristina; Biarnés, Xevi; Faijes, Magda; Planas, Antoni

2015-01-01

Hexosaminidases are involved in important biological processes catalyzing the hydrolysis of N-acetyl-hexosaminyl residues in glycosaminoglycans and glycoconjugates. The GH20 enzymes present diverse domain organizations for which we propose two minimal model architectures: Model A containing at least a non-catalytic GH20b domain and the catalytic one (GH20) always accompanied with an extra α-helix (GH20b-GH20-α), and Model B with only the catalytic GH20 domain. The large Bifidobacterium bifidum lacto-N-biosidase was used as a model protein to evaluate the minimal functional unit due to its interest and structural complexity. By expressing different truncated forms of this enzyme, we show that Model A architectures cannot be reduced to Model B. In particular, there are two structural requirements general to GH20 enzymes with Model A architecture. First, the non-catalytic domain GH20b at the N-terminus of the catalytic GH20 domain is required for expression and seems to stabilize it. Second, the substrate-binding cavity at the GH20 domain always involves a remote element provided by a long loop from the catalytic domain itself or, when this loop is short, by an element from another domain of the multidomain structure or from the dimeric partner. Particularly, the lacto-N-biosidase requires GH20b and the lectin-like domain at the N- and C-termini of the catalytic GH20 domain to be fully soluble and functional. The lectin domain provides this remote element to the active site. We demonstrate restoration of activity of the inactive GH20b-GH20-α construct (model A architecture) by a complementation assay with the lectin-like domain. The engineering of minimal functional units of multidomain GH20 enzymes must consider these structural requirements.

The influence of incommensurability on the long-range periodicity of the Pd(100)-(√{ 5 } ×√{ 5 })R27°-PdO(101)

NASA Astrophysics Data System (ADS)

Shipilin, Mikhail; Stierle, Andreas; Merte, Lindsay R.; Gustafson, Johan; Hejral, Uta; Martin, Natalia M.; Zhang, Chu; Franz, Dirk; Kilic, Volkan; Lundgren, Edvin

2017-06-01

The structural model of the (√{ 5 } ×√{ 5 })R27°-PdO(101) surface oxide grown on Pd(100) has been proposed and refined by a number of authors over more than a decade. In the current contribution we discuss the long-range periodicity of this structure arising along one of the crystallographic directions due to its incommensurability with the substrate. Analyzing the results of surface sensitive diffraction studies, we determined a slight distortion of the previously reported perfect (√{ 5 } ×√{ 5 })R27° surface oxide unit cell. Considering it, we were able to achieve both qualitatively and quantitatively better fit to the experimental diffraction data than it was possible for the perfect structure. Further, taking into account the experimentally obtained scanning tunneling microscopy data and closely examining high-resolution patterns recorded by means of high-energy surface X-ray diffraction, we developed a qualitative structural model based on a larger non-orthogonal surface unit cell to shed more light on the long-range order of the PdO(101) surface oxide. The model comprises a shift of the atoms of the PdO perpendicularly to the direction of the incommensurability to correct for it. This structural model reproduces the fine details of the high-resolution diffraction patterns and qualitatively explains the periodic stripes of structural distortion observed in the images recorded by a scanning tunneling microscope.

The influence of renewable and non-renewable energy consumption and real income on CO2 emissions in the USA: evidence from structural break tests.

PubMed

Dogan, Eyup; Ozturk, Ilhan

2017-04-01

The objective of this study is to explore the influence of the real income (GDP), renewable energy consumption and non-renewable energy consumption on carbon dioxide (CO 2 ) emissions for the United States of America (USA) in the environmental Kuznets curve (EKC) model for the period 1980-2014. The Zivot-Andrews unit root test with a structural break and the Clemente-Montanes-Reyes unit root test with a structural break report that the analyzed variables become stationary at first-differences. The Gregory-Hansen cointegration test with a structural break and the bounds testing for cointegration in the presence of a structural break show CO 2 emissions, the real income, the quadratic real income, renewable and non-renewable energy consumption are cointegrated. The long-run estimates obtained from the ARDL model indicate that increases in renewable energy consumption mitigate environmental degradation whereas increases in non-renewable energy consumption contribute to CO 2 emissions. In addition, the EKC hypothesis is not valid for the USA. Since we use time-series econometric approaches that account for structural break in the data, findings of this study are robust, reliable and accurate. The US government is advised to put more weights on renewable sources in energy mix, to support and encourage the use and adoption of renewable energy and clean technologies, and to increase the public awareness of renewable energy for lower levels of emissions.

The Past, Present and Future of Geodemographic Research in the United States and United Kingdom

PubMed Central

Singleton, Alexander D.; Spielman, Seth E.

2014-01-01

This article presents an extensive comparative review of the emergence and application of geodemographics in both the United States and United Kingdom, situating them as an extension of earlier empirically driven models of urban socio-spatial structure. The empirical and theoretical basis for this generalization technique is also considered. Findings demonstrate critical differences in both the application and development of geodemographics between the United States and United Kingdom resulting from their diverging histories, variable data economies, and availability of academic or free classifications. Finally, current methodological research is reviewed, linking this discussion prospectively to the changing spatial data economy in both the United States and United Kingdom. PMID:25484455

A Strategy for Integrating a Large Finite Element Model: X-33 Lessons Learned

NASA Technical Reports Server (NTRS)

McGhee, David S.

2000-01-01

The X-33 vehicle is an advanced technology demonstrator sponsored by NASA. For the past three years the Structural Dynamics & Loads Group of NASA's Marshall Space Flight Center has had the task of integrating the X-33 vehicle structural finite element model. In that time, five versions of the integrated vehicle model have been produced and a strategy has evolved that would benefit anyone given the task of integrating structural finite element models that have been generated by various modelers and companies. The strategy that has been presented here consists of six decisions that need to be made. These six decisions are: purpose of model, units, common material list, model numbering, interface control, and archive format. This strategy has been proved and expanded from experience on the X-33 vehicle.

Raman spectroscopy of glasses in the As-Te system

NASA Astrophysics Data System (ADS)

Tverjanovich, A.; Rodionov, K.; Bychkov, E.

2012-06-01

For the first time, the Raman spectra of AsxTe1-x glasses, 0.2≤x≤0.6, have been measured over the entire glass-forming range. The spectra exhibit three broad spectral features attributed to vibrations of structural units having Te-Te, As-Te and As-As bonds. The observed chemical disorder in the glasses is discussed on the basis of partial bond fractions derived from the integrated intensity of the Raman modes. The underlying structural model suggests a dissociation of AsTe- or As2Te3-related units in the glass melt. The spectra of glasses quenched from different temperatures, as well as those of the annealed vitreous alloys, are consistent with predictions of the model.

Multilayer network of language: A unified framework for structural analysis of linguistic subsystems

NASA Astrophysics Data System (ADS)

Martinčić-Ipšić, Sanda; Margan, Domagoj; Meštrović, Ana

2016-09-01

Recently, the focus of complex networks' research has shifted from the analysis of isolated properties of a system toward a more realistic modeling of multiple phenomena - multilayer networks. Motivated by the prosperity of multilayer approach in social, transport or trade systems, we introduce the multilayer networks for language. The multilayer network of language is a unified framework for modeling linguistic subsystems and their structural properties enabling the exploration of their mutual interactions. Various aspects of natural language systems can be represented as complex networks, whose vertices depict linguistic units, while links model their relations. The multilayer network of language is defined by three aspects: the network construction principle, the linguistic subsystem and the language of interest. More precisely, we construct a word-level (syntax and co-occurrence) and a subword-level (syllables and graphemes) network layers, from four variations of original text (in the modeled language). The analysis and comparison of layers at the word and subword-levels are employed in order to determine the mechanism of the structural influences between linguistic units and subsystems. The obtained results suggest that there are substantial differences between the networks' structures of different language subsystems, which are hidden during the exploration of an isolated layer. The word-level layers share structural properties regardless of the language (e.g. Croatian or English), while the syllabic subword-level expresses more language dependent structural properties. The preserved weighted overlap quantifies the similarity of word-level layers in weighted and directed networks. Moreover, the analysis of motifs reveals a close topological structure of the syntactic and syllabic layers for both languages. The findings corroborate that the multilayer network framework is a powerful, consistent and systematic approach to model several linguistic subsystems simultaneously and hence to provide a more unified view on language.

Silicon and Germanium (111) Surface Reconstruction

NASA Astrophysics Data System (ADS)

Hao, You Gong

Silicon (111) surface (7 x 7) reconstruction has been a long standing puzzle. For the last twenty years, various models were put forward to explain this reconstruction, but so far the problem still remains unsolved. Recent ion scattering and channeling (ISC), scanning tunneling microscopy (STM) and transmission electron diffraction (TED) experiments reveal some new results about the surface which greatly help investigators to establish better models. This work proposes a silicon (111) surface reconstruction mechanism, the raising and lowering mechanism which leads to benzene -like ring and flower (raised atom) building units. Based on these building units a (7 x 7) model is proposed, which is capable of explaining the STM and ISC experiment and several others. Furthermore the building units of the model can be used naturally to account for the germanium (111) surface c(2 x 8) reconstruction and other observed structures including (2 x 2), (5 x 5) and (7 x 7) for germanium as well as the (/3 x /3)R30 and (/19 x /19)R23.5 impurity induced structures for silicon, and the higher temperature disordered (1 x 1) structure for silicon. The model is closely related to the silicon (111) surface (2 x 1) reconstruction pi-bonded chain model, which is the most successful model for the reconstruction now. This provides an explanation for the rather low conversion temperature (560K) of the (2 x 1) to the (7 x 7). The model seems to meet some problems in the explanation of the TED result, which is explained very well by the dimer, adatom and stacking fault (DAS) model proposed by Takayanagi. In order to explain the TED result, a variation of the atomic scattering factor is proposed. Comparing the benzene-like ring model with the DAS model, the former needs more work to explain the TED result and the later has to find a way to explain the silicon (111) surface (1 x 1) disorder experiment.

Examining the factor structure of the Multiple Sclerosis Impact Scale.

PubMed

Fitzgerald, Shawn M; Li, Jian; Rumrill, Phillip D; Merchant, William; Bishop, Malachy

2014-01-01

The purpose of this study was to investigate the factor structure of the Multiple Sclerosis Impact Scale (MSIS-29) to assess its suitability for modeling the impact of MS on a nation-wide sample of individuals from the United States. Investigators completed a Confirmatory Factor Analysis (CFA) to examine the two-factor structure proposed by Hobart et al. [17]. Although the original MSIS-29 factor structure did not fit the data exactly, the hypothesized two-factor model was partially supported in the current data. Implications for future instrument development and rehabilitation practice are discussed.

Tectonic overpressure may reconcile the structural and petrological records of the Adula nappe (Central Alps)

NASA Astrophysics Data System (ADS)

Pleuger, Jan; Podladchikov, Yuri

2014-05-01

The Penninic Alps are the result of progressive underthrusting of oceanic and continental domains below the Adriatic microplate. Situated in the internal part of the Alpine orogen, they expose basement and thinned cover nappes which have been metamorphosed to variable degree, among them several units which were subjected to ultrahigh-pressure metamorphism. Due to the more or less strong nappe-internal deformation of these units, cross sections through the Penninic Alps cannot be restored kinematically by area or line balancing techniques. Instead, such restorations attempt to consistently reconcile geochronological and structural data and petrological pressure-temperature estimates. Pressure data are usually converted into depth assuming that they were lithostatic which puts the ultrahigh-pressure units to subcrustal depths. Tectonic exhumation of a unit from such a depth by whatever mechanism requires a large-scale normal fault with several tens of kilometres of displacement in the hanging wall of the unit. However, for all Penninic ultrahigh-pressure units (Dora Maira unit, Zermatt-Saas zone, Monviso unit, Adula-Cima Lunga nappe), the oldest mappable post-peak-pressure structures are related to top-to-the-foreland shearing, i.e. thrusting. There are two potential solutions to this dilemma. The first one is that either the exhumation was indeed accommodated by a large-scale normal fault which became completely overprinted during later deformational stages. The other one is that peak pressures were not lithostatic. To our knowledge, the first solution is applied to all kinematic models of the Alps so far. In order to explore the feasibility of the second solution, we performed a purely structural restoration of the NFP20-East cross section without lithostatic pressure-to-depth-conversions. This cross-section comprises the ultrahigh-pressure Adula nappe (up to ca. 30 kbar) and relies on quantitative strain data from the overlying units. The result shows that, in accordance with the structural record, the Adula nappe can be restored to maximum depths of up to ca. 60 km. For individual points of the Adula nappe in the restored cross section, corresponding to the sporadic occurences of (ultra)high-pressure rocks, lithostatic pressures are exceeded by petrological peak-pressure data by about 40% to 80%. Such amounts of tectonic overpressure are within the limits of theoretical considerations and numerical modelling results. For the other units comprised in the cross section, and for subsequent tectono-metamorphic stages of the Adula nappe, negligible amounts of overpressure (around 10%) are determined from the restoration. We conclude that (1) the NFP20-East cross section can be kinematically restored by using only structural data, (2) the dilemma mentioned above can be solved by admitting realisting amounts of tectonic overpressure, and (3) significant amounts of overpressure were established only locally and episodically.

Development of acylpiperidine and carboxamide repellents using structure-activity models

USDA-ARS?s Scientific Manuscript database

The United States Department of Agriculture (USDA) has developed repellents and insecticides for the U.S. military since 1942. Data for over 30,000 compounds are contained within the USDA archive. Repellency data from similarly structured compounds were used to develop artificial neural network (ANN...

The forest and agricultural sector optimization model (FASOM): model structure and policy applications.

Treesearch

Darius M. Adams; Ralph J. Alig; J.M. Callaway; Bruce A. McCarl; Steven M. Winnett

1996-01-01

The Forest and Agricultural Sector Optimization Model (FASOM) is a dynamic, nonlinear programming model of the forest and agricultural sectors in the United States. The FASOM model initially was developed to evaluate welfare and market impacts of alternative policies for sequestering carbon in trees but also has been applied to a wider range of forest and agricultural...

Geometric modeling of Plateau borders using the orthographic projection method for closed cell rigid polyurethane foam thermal conductivity prediction

NASA Astrophysics Data System (ADS)

Xu, Jie; Wu, Tao; Peng, Chuang; Adegbite, Stephen

2017-09-01

The geometric Plateau border model for closed cell polyurethane foam was developed based on volume integrations of approximated 3D four-cusp hypocycloid structure. The tetrahedral structure of convex struts was orthogonally projected into 2D three-cusp deltoid with three central cylinders. The idealized single unit strut was modeled by superposition. The volume of each component was calculated by geometric analyses. The strut solid fraction f s and foam porosity coefficient δ were calculated based on representative elementary volume of Kelvin and Weaire-Phelan structures. The specific surface area Sv derived respectively from packing structures and deltoid approximation model were put into contrast against strut dimensional ratio ɛ. The characteristic foam parameters obtained from this semi-empirical model were further employed to predict foam thermal conductivity.

Setting up a mobile dental practice within your present office structure.

PubMed

Morreale, James P; Dimitry, Susan; Morreale, Mark; Fattore, Isabella

2005-02-01

Different service models have emerged in Canada and the United States to address the issue of senior citizens' lack of access to comprehensive dental care. Over the past decade, one such model, the use of mobile dental service units, has emerged as a practical strategy. This article describes a mobile unit, operated as an adjunct to the general practitioner's office and relying mainly on existing office resources, both human and capital, to deliver services at long-term care institutions. The essential components of a profitable geriatric mobile unit are described, including education, equipment, marketing research and development, and human resource management. Issues related to patient consent and operating expenditures are also discussed. Data from one practitioner's mobile dental unit, in Hamilton, Ontario, are presented to demonstrate the feasibility and profitability of this approach.

Evaluation of nano-technology-modified zirconia oral implants: a study in rabbits.

PubMed

Lee, Jaebum; Sieweke, Janet H; Rodriguez, Nancy A; Schüpbach, Peter; Lindström, Håkan; Susin, Cristiano; Wikesjö, Ulf M E

2009-07-01

The objective of this study was to screen candidate nano-technology-modified, micro-structured zirconia implant surfaces relative to local bone formation and osseointegration. Proprietary nano-technology surface-modified (calcium phosphate: CaP) micro-structured zirconia implants (A and C), control micro-structured zirconia implants (ZiUnite), and titanium porous oxide implants (TiUnite) were implanted into the femoral condyle in 40 adult male New Zealand White rabbits. Each animal received one implant in each hind leg; thus, 20 animals received A and C implants and 20 animals received ZiUnite and TiUnite implants in contralateral hind legs. Ten animals/group were euthanized at weeks 3 and 6 when biopsies of the implant sites were processed for histometric analysis using digital photomicrographs produced using backscatter scanning electron microscopy. The TiUnite surface demonstrated significantly greater bone-implant contact (BIC) (77.6+/-2.6%) compared with the A (64.6+/-3.6%) and C (62.2+/-3.1%) surfaces at 3 weeks (p<0.05). Numerical differences between ZiUnite (70.5+/-3.1%) and A and C surfaces did not reach statistical significance (p>0.05). Similarly, there were non-significant differences between the TiUnite and the ZiUnite surfaces (p>0.05). At 6 weeks, there were no significant differences in BIC between the TiUnite (67.1+/-4.2%), ZiUnite (69.7+/-5.7%), A (68.6+/-1.9%), and C (64.5+/-4.1%) surfaces (p>0.05). TiUnite and ZiUnite implant surfaces exhibit high levels of osseointegration that, in this model, confirm their advanced osteoconductive properties. Addition of CaP nano-technology to the ZiUnite surface does not enhance the already advanced osteoconductivity displayed by the TiUnite and ZiUnite implant surfaces.

Sunnybrook's matrix organizational model--moving ahead.

PubMed

Ellis, P H; Gaskin, P M

1988-01-01

Traditionally, hospitals have denied the true intricacy of their organization by forcing all reporting relationships into a single structure. To address this complexity, Sunnybrook has developed three independent, yet interrelated, organization dimensions. Three structures--the traditional, the clinical unit and the programmatic dimension--provide a better link of accountability by holding departments responsible for the efficiency of their operations, holding physicians accountable for the resource implication of volume and case mix, and ensuring that the activities of the hospital's departments and clinical units are in line with hospital's overall mission and programs.

Spaced planar laminations formed by repetitive basal erosion and resurgence to high-sedimentation-rate regime: new insight from a bedform-like structures and laterally continuous exposures

NASA Astrophysics Data System (ADS)

Ishihara, Yoshiro; Yuri, Onishi; Tsuda, Keisuke; Yokokawa, Miwa

2017-04-01

Spaced planar laminations (SPL), or so-called traction carpet deposits, are frequently observed in deposits of sediment gravity flows. Several sedimentation models for a succession of inversely graded units have been suggested from field observations and flume experiments. The formation of the inversely graded unit could be summarized as follows: (1) abrupt sedimentation on freezing of an inversely graded layer, or (2) interruptions in flow causing a freezing of an inversely graded layer at the most basal part of flow. In either case, traction carpets as a bed load overlying the erosive boundary at the base of flow are required. Although some descriptions have reported SPLs forming antidune bedform-like structures and the association of SPLs with structureless massive deposits have not been clearly explained. In this study, we suggest a novel model of SPL formation by repetition of basal erosion and resurgence to high-sedimentation rates, based on detail examinations of SPLs both showing bedform-like structures and lateral extents of hundreds of meters. SPLs were investigated in the Mio-Pliocene Kiyosumi Formation in central Japan and the Miocene Aoshima Formation in southwest Japan. In a turbidite in the Kiyosumi Formation, SPLs show three mound-like structures, suggesting antidune bedforms with wavelengths of about 6 to 7 m. On the upcurrent flanks, SPLs show lenticular cross laminations or pinching out of units; those units do not show clear inverse grading. Rip-up mud clasts and relatively high-angle imbrications are also observed. On the other hand, SPLs on the downcurrent flanks show relatively clear inverse grading and transition downcurrent into a massive structureless bed. In the Aoshima Formation, SPLs with ca. 1 cm unit thickness continue approximately 50 m along a palaeocurrent direction without changes in thickness. These SPLs gradually transition upward into a massive structureless unit. From the observations described above, in addition to descriptions from previous studies, it is suggested that SPLs comprising mound-like bedforms exhibit erosive conditions in the upcurrent flanks and depositional conditions in the downcurrent flanks, whereas SPLs on flat sea-floor extensively maintain their structure. Also, massive structureless beds are observed when erosion did not occur. These facts indicate that SPLs are strongly associated with an erosional process at the base of sediment gravity flows under a supercritical flow condition. The formation of SPLs does not necessary require a traction carpet and they may reflect basal erosion with a lag deposit of fine-grained particles, followed by resurgence to conditions of high sedimentation rates and massive structureless bed deposition. Repetitions of inversely graded units could occur when basal shear stresses are changed by fluctuations of flow depth, such as internal waves in a sediment gravity flow. This model can explain the concurrence of massive structureless beds with SPLs and examples of bedform-like structures without a unit thickness control.

3D interactive forward and inversion gravity modelling at different scales: From subduction zone modelling to cavity detection.

NASA Astrophysics Data System (ADS)

Götze, Hans-Jürgen; Schmidt, Sabine

2014-05-01

Modern geophysical interpretation requires an interdisciplinary approach, particularly when considering the available amount of 'state of the art' information. A combination of different geophysical surveys employing seismic, gravity and EM, together with geological and petrological studies, can provide new insights into the structures and tectonic evolution of the lithosphere, natural deposits and underground cavities. Interdisciplinary interpretation is essential for any numerical modelling of these structures and the processes acting on them Interactive gravity and magnetic modeling can play an important role in the depth imaging workflow of complex projects. The integration of the workflow and the tools is important to meet the needs of today's more interactive and interpretative depth imaging workflows. For the integration of gravity and magnetic models the software IGMAS+ can play an important role in this workflow. For simplicity the focus is on gravity modeling, but all methods can be applied to the modeling of magnetic data as well. Currently there are three common ways to define a 3D gravity model. Grid based models: Grids define the different geological units. The densities of the geological units are constant. Additional grids can be introduced to subdivide the geological units, making it possible to represent density depth relations. Polyhedral models: The interfaces between different geological units are defined by polyhedral, typically triangles. Voxel models: Each voxel in a regular cube has a density assigned. Spherical Earth modeling: Geophysical investigations may cover huge areas of several thousand square kilometers. The depression of the earth's surface due to the curvature of the Earth is 3 km at a distance of 200 km and 20 km at a distance of 500 km. Interactive inversion: Inversion is typically done in batch where constraints are defined beforehand and then after a few minutes or hours a model fitting the data and constraints is generated. As examples I show results from the Central Andes and the North Sea. Both gravity and geoid of the two areas were investigated with regard to their isostatic state, the crustal density structure and rigidity of the Lithosphere. Modern satellite measurements of the recent ESA campaigns are compared to ground observations in the region. Estimates of stress and GPE (gravitational potential energy) at the western South American margin have been derived from an existing 3D density model. Here, sensitivity studies of gravity and gravity gradients indicate that short wavelength lithospheric structures are more pronounced in the gravity gradient tensor than in the gravity field. A medium size example of the North Sea underground demonstrates how interdisciplinary data sets can support aero gravity investigations. At the micro scale an example from the detection of a crypt (Alversdorf, Northern Germany) is shown.

A dual-route cascaded model of reading by deaf adults: evidence for grapheme to viseme conversion.

PubMed

Elliott, Eeva A; Braun, Mario; Kuhlmann, Michael; Jacobs, Arthur M

2012-01-01

There is an ongoing debate whether deaf individuals access phonology when reading, and if so, what impact the ability to access phonology might have on reading achievement. However, the debate so far has been theoretically unspecific on two accounts: (a) the phonological units deaf individuals may have of oral language have not been specified and (b) there seem to be no explicit cognitive models specifying how phonology and other factors operate in reading by deaf individuals. We propose that deaf individuals have representations of the sublexical structure of oral-aural language which are based on mouth shapes and that these sublexical units are activated during reading by deaf individuals. We specify the sublexical units of deaf German readers as 11 "visemes" and incorporate the viseme set into a working model of single-word reading by deaf adults based on the dual-route cascaded model of reading aloud by Coltheart, Rastle, Perry, Langdon, and Ziegler (2001. DRC: A dual route cascaded model of visual word recognition and reading aloud. Psychological Review, 108, 204-256. doi: 10.1037//0033-295x.108.1.204). We assessed the indirect route of this model by investigating the "pseudo-homoviseme" effect using a lexical decision task in deaf German reading adults. We found a main effect of pseudo-homovisemy, suggesting that at least some deaf individuals do automatically access sublexical structure during single-word reading.

Mapping wildland fuels and forest structure for land management: a comparison of nearest neighbor imputation and other methods

Treesearch

Kenneth B. Pierce; Janet L. Ohmann; Michael C. Wimberly; Matthew J. Gregory; Jeremy S. Fried

2009-01-01

Land managers need consistent information about the geographic distribution of wildland fuels and forest structure over large areas to evaluate fire risk and plan fuel treatments. We compared spatial predictions for 12 fuel and forest structure variables across three regions in the western United States using gradient nearest neighbor (GNN) imputation, linear models (...

Composite Structure Modeling and Analysis of Advanced Aircraft Fuselage Concepts

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek; Sorokach, Michael R.

2015-01-01

NASA Environmentally Responsible Aviation (ERA) project and the Boeing Company are collabrating to advance the unitized damage arresting composite airframe technology with application to the Hybrid-Wing-Body (HWB) aircraft. The testing of a HWB fuselage section with Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) construction is presently being conducted at NASA Langley. Based on lessons learned from previous HWB structural design studies, improved finite-element models (FEM) of the HWB multi-bay and bulkhead assembly are developed to evaluate the performance of the PRSEUS construction. In order to assess the comparative weight reduction benefits of the PRSEUS technology, conventional cylindrical skin-stringer-frame models of a cylindrical and a double-bubble section fuselage concepts are developed. Stress analysis with design cabin-pressure load and scenario based case studies are conducted for design improvement in each case. Alternate analysis with stitched composite hat-stringers and C-frames are also presented, in addition to the foam-core sandwich frame and pultruded rod-stringer construction. The FEM structural stress, strain and weights are computed and compared for relative weight/strength benefit assessment. The structural analysis and specific weight comparison of these stitched composite advanced aircraft fuselage concepts demonstrated that the pressurized HWB fuselage section assembly can be structurally as efficient as the conventional cylindrical fuselage section with composite stringer-frame and PRSEUS construction, and significantly better than the conventional aluminum construction and the double-bubble section concept.

Earth Observing System (EOS)/Advanced Microwave Sounding Unit-A (AMSU-A) Stress Analysis Report, A1 Module. Addendum 1

NASA Technical Reports Server (NTRS)

Ely, W.

1996-01-01

This addendum reports the structural margins of safety and natural frequency predictions for the design following the EOS AMSU-A1 Mechanical/Structural Subsystem Critical Design Review (CDR), based on a new and more refined finite element model.

Empty tracks optimization based on Z-Map model

NASA Astrophysics Data System (ADS)

Liu, Le; Yan, Guangrong; Wang, Zaijun; Zang, Genao

2017-12-01

For parts with many features, there are more empty tracks during machining. If these tracks are not optimized, the machining efficiency will be seriously affected. In this paper, the characteristics of the empty tracks are studied in detail. Combining with the existing optimization algorithm, a new tracks optimization method based on Z-Map model is proposed. In this method, the tool tracks are divided into the unit processing section, and then the Z-Map model simulation technique is used to analyze the order constraint between the unit segments. The empty stroke optimization problem is transformed into the TSP with sequential constraints, and then through the genetic algorithm solves the established TSP problem. This kind of optimization method can not only optimize the simple structural parts, but also optimize the complex structural parts, so as to effectively plan the empty tracks and greatly improve the processing efficiency.

Self-assembly in densely grafted macromolecules with amphiphilic monomer units: diagram of states.

PubMed

Lazutin, A A; Vasilevskaya, V V; Khokhlov, A R

2017-11-22

By means of computer modelling, the self-organization of dense planar brushes of macromolecules with amphiphilic monomer units was addressed and their state diagram was constructed. The diagram of states includes the following regions: disordered position of monomer units with respect to each other, strands composed of a few polymer chains and lamellae with different domain spacing. The transformation of lamellae structures with different domain spacing occurred within the intermediate region and could proceed through the formation of so-called parking garage structures. The parking garage structure joins the lamellae with large (on the top of the brushes) and small (close to the grafted surface) domain spacing, which appears like a system of inclined locally parallel layers connected with each other by bridges. The parking garage structures were observed for incompatible A and B groups in selective solvents, which result in aggregation of the side B groups and dense packing of amphiphilic macromolecules in the restricted volume of the planar brushes.

Rheological properties in relation to molecular structure of quinoa starch.

PubMed

Li, Guantian; Zhu, Fan

2018-07-15

Quinoa starch granules are small (~0.5 - 3μm) with potentials for some food and other applications. To better exploit it as a new starch resource, this study investigates the steady shear and dynamic oscillatory properties of 9 quinoa starches varying in composition and structure. Steady shear analysis shows that the flow curves could be well described by 4 selected mathematic models. Temperature sweep analysis reveals that the quinoa starch encounters a 4-stage process including 2 phase transitions. Structure-function relationship analysis showed that composition as well as unit and internal chain length distribution of amylopectin have significant impact on the rheological properties (e.g., G' at 90°C) of quinoa starch. The roles of some individual unit chains and super-long unit chains of amylopectin in determining the rheological properties of quinoa starch were revealed. This study may stimulate further interest in understanding the structural basis of starch rheology. Copyright © 2018 Elsevier B.V. All rights reserved.

M{sub 2}X intermetallics: Nonmetal insertion in a h.c.-like metallic distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pivan, J.Y.; Guerin, R.

A simple structural model is proposed on the basis of an ideal hexagonal close-packing (AB){sup {infinity}} of the metal atoms M. The metalloid atoms X, located in an ordered manner in the metallic planes with the stacking sequence ..(A){sup {infinity}}.. or ..(B){sup {infinity}}.., generate two types of elementary units called units U{sub I} and U{sub II}. These units are hexagonal prisms with the fundamental vectors a{sub 0}, b{sub 0}, c{sub 0} and the elementary volume V{sub 0}. When the exclusive occurrence of U{sub I} (or U{sub II}) only yields 6-prismatic and triangular sites of metalloid atoms X, additional tetrahedral andmore » pyramidal sites of X atoms are present when units U{sub I} and U{sub II} exist simultaneously. The structures of compounds with the general formula M{sub 2}X (M = 3d, 4d, 5d and (or) 4f, 5f elements, X = B, P, As, Sb, Si, Ge, {hor_ellipsis}) are described in terms of intergrowth mechanisms. Binary, ternary, or even quaternary structures of compounds, with M/X ratios equal or close to two, appear as superstructures of the elementary units. Insofar as no ordering is considered along the stacking direction, the vectorial combinations of the fundamental vectors in the form A = h.a{sub 0}+s.b{sub 0}, B = k.a{sub 0}+t.b{sub 0}, C = c{sub 0} result in supercells with the volume V = (h.t {minus} k.s).V{sub 0}. The attainable symmetry (hexagonal, tetragonal, orthorhombic, monoclinic, {hor_ellipsis}) strongly depends on the particular values of the integers h, s, k, t. The criteria of occurrence of various series of compounds are presented together with their crystallographic features and structural relationships are emphasized. Moreover, the model demonstrates that numerous compounds with the predicted unit cell parameters should be obtained in each crystal system.« less

Comparing five modelling techniques for predicting forest characteristics

Treesearch

Gretchen G. Moisen; Tracey S. Frescino

2002-01-01

Broad-scale maps of forest characteristics are needed throughout the United States for a wide variety of forest land management applications. Inexpensive maps can be produced by modelling forest class and structure variables collected in nationwide forest inventories as functions of satellite-based information. But little work has been directed at comparing modelling...

Toxic Hazards Research Unit Annual Report: 1987

DTIC Science & Technology

1988-03-01

Low Density Lipoproteins and in Model Membranes 14 Sep Is Cigarette Smoking Neurotoric? Mr. Steven Goden Dr. R. Kutzman 4> ’October 1986 through September 1987 2I ...based pharmcokinetic model phosphoniteo,o-diethylmethyl quantitative structure activity relationship respiratory epithelium Salmonella sensitization j...in Cultured Respiratory Epithelial Cells ----------------------- ------------ 73 6 PHARMACOKINETIC AND PHARMACODYNAMIC MODELING .------------------ 78

2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors

PubMed Central

Zhao, Manman; Zheng, Linfeng; Qiu, Chun

2017-01-01

Epidermal growth factor receptor (EGFR) is an important target for cancer therapy. In this study, EGFR inhibitors were investigated to build a two-dimensional quantitative structure-activity relationship (2D-QSAR) model and a three-dimensional quantitative structure-activity relationship (3D-QSAR) model. In the 2D-QSAR model, the support vector machine (SVM) classifier combined with the feature selection method was applied to predict whether a compound was an EGFR inhibitor. As a result, the prediction accuracy of the 2D-QSAR model was 98.99% by using tenfold cross-validation test and 97.67% by using independent set test. Then, in the 3D-QSAR model, the model with q2 = 0.565 (cross-validated correlation coefficient) and r2 = 0.888 (non-cross-validated correlation coefficient) was built to predict the activity of EGFR inhibitors. The mean absolute error (MAE) of the training set and test set was 0.308 log units and 0.526 log units, respectively. In addition, molecular docking was also employed to investigate the interaction between EGFR inhibitors and EGFR. PMID:28630865

MANPRINT Methods Monograph: Aiding the Development of Manned System Performance Criteria

DTIC Science & Technology

1989-06-01

the need for the new system. It may be necessary co derive these requirements from combat models. By modeling the capabilities of the current force ...FORMAT The O&O Plan describes how a system will be integrated into the force structure, deployed, operated, and supported in peacetime and wartime...for evaluation during OT I. 9. MANPOWER/ FORCE STRUCTURE ASSESSMENT. Estimate manpower require- ments per system, using unit, and total Army by

Simulations of molecular self-assembled monolayers on surfaces: packing structures, formation processes and functions tuned by intermolecular and interfacial interactions.

PubMed

Wen, Jin; Li, Wei; Chen, Shuang; Ma, Jing

2016-08-17

Surfaces modified with a functional molecular monolayer are essential for the fabrication of nano-scale electronics or machines with novel physical, chemical, and/or biological properties. Theoretical simulation based on advanced quantum chemical and classical models is at present a necessary tool in the development, design, and understanding of the interfacial nanostructure. The nanoscale surface morphology, growth processes, and functions are controlled by not only the electronic structures (molecular energy levels, dipole moments, polarizabilities, and optical properties) of building units but also the subtle balance between intermolecular and interfacial interactions. The switchable surfaces are also constructed by introducing stimuli-responsive units like azobenzene derivatives. To bridge the gap between experiments and theoretical models, opportunities and challenges for future development of modelling of ferroelectricity, entropy, and chemical reactions of surface-supported monolayers are also addressed. Theoretical simulations will allow us to obtain important and detailed information about the structure and dynamics of monolayer modified interfaces, which will guide the rational design and optimization of dynamic interfaces to meet challenges of controlling optical, electrical, and biological functions.

Models for Aircrew Safety Assessment: Uses, Limitations and Requirements

DTIC Science & Technology

1999-08-01

analysis, a linear relationship was determined from the Methods density standard relating Hounsfield unit to concentration of K2HPO 4. Elliptical...males and 25 females, structures. The average Hounsfield unit in the ROI was then betweenthe agese of18tol consistwednthewe s of 20 me ad 2converted to...Centre for Human Sciences F138 Building - Room 204 DERA Farnborough, Hants GU14 6TD United Kingdom TECHNICAL PROGRAMME COMMITTEE Chairmen Dr I. KALEPS

Structure-topology-property correlations of sodium phosphosilicate glasses.

PubMed

Hermansen, Christian; Guo, Xiaoju; Youngman, Randall E; Mauro, John C; Smedskjaer, Morten M; Yue, Yuanzheng

2015-08-14

In this work, we investigate the correlations among structure, topology, and properties in a series of sodium phosphosilicate glasses with [SiO2]/[SiO2 + P2O5] ranging from 0 to 1. The network structure is characterized by (29)Si and (31)P magic-angle spinning nuclear magnetic resonance and Raman spectroscopy. The results show the formation of six-fold coordinated silicon species in phosphorous-rich glasses. Based on the structural data, we propose a formation mechanism of the six-fold coordinated silicon, which is used to develop a quantitative structural model for predicting the speciation of the network forming units as a function of chemical composition. The structural model is then used to establish a temperature-dependent constraint description of phosphosilicate glass topology that enables prediction of glass transition temperature, liquid fragility, and indentation hardness. The topological constraint model provides insight into structural origin of the mixed network former effect in phosphosilicate glasses.

Micromechanical models for textile structural composites

NASA Technical Reports Server (NTRS)

Marrey, Ramesh V.; Sankar, Bhavani V.

1995-01-01

The objective is to develop micromechanical models for predicting the stiffness and strength properties of textile composite materials. Two models are presented to predict the homogeneous elastic constants and coefficients of thermal expansion of a textile composite. The first model is based on rigorous finite element analysis of the textile composite unit-cell. Periodic boundary conditions are enforced between opposite faces of the unit-cell to simulate deformations accurately. The second model implements the selective averaging method (SAM), which is based on a judicious combination of stiffness and compliance averaging. For thin textile composites, both models can predict the plate stiffness coefficients and plate thermal coefficients. The finite element procedure is extended to compute the thermal residual microstresses, and to estimate the initial failure envelope for textile composites.

A Strategy for Integrating a Large Finite Element Model Using MSC NASTRAN/PATRAN: X-33 Lessons Learned

NASA Technical Reports Server (NTRS)

McGhee, D. S.

1999-01-01

The X-33 vehicle is an advanced technology demonstrator sponsored by NASA. For the past 3 years the Structural Dynamics and Loads Branch of NASA's Marshall Space Flight Center has had the task of integrating the X-33 vehicle structural finite element model. In that time, five versions of the integrated vehicle model have been produced and a strategy has evolved that would benefit anyone given the task of integrating structural finite element models that have been generated by various modelers and companies. The strategy that has been presented here consists of six decisions that need to be made: purpose of models, units, common materials list, model numbering, interface control, and archive format. This strategy has been proven and expanded from experience on the X-33 vehicle.

Models of metal binding structures in fulvic acid from the Suwannee River, Georgia

USGS Publications Warehouse

Leenheer, J.A.; Brown, G.K.; MacCarthy, P.; Cabaniss, S.E.

1998-01-01

Fulvic acid, isolated from the Suwannee River, Georgia, was assessed for its ability to bind Ca2+, Cd2+, Cu2+, Ni2+, and Zn2+ ions at pH 6 before and after extensive fractionation that was designed to reveal the nature of metal binding functional groups. The binding constant for Ca2+ ion had the greatest increase of all the ions in a metal binding fraction that was selected for intensive characterization for the purpose of building quantitative average model structures. The 'metal binding' fraction was characterized by quantitative 13C NMR, 1H NMR, and FT-1R spectrometry and elemental, titrimetric, and molecular weight determinations. The characterization data revealed that carboxyl groups were clustered in short- chain aliphatic dibasic acid structures. The Ca2+ binding data suggested that ether-substituted oxysuccinic acid structures are good models for the metal binding sites at pH 6. Structural models were derived based upon oxidation and photolytic rearrangements of cutin, lignin, and tannin precursors. These structural models rich in substituted dibasic acid structures revealed polydentate binding sites with the potential for both inner-sphere and outer-sphere type binding. The majority of the fulvic acid molecule was involved with metal binding rather than a small substructural unit.Fulvic acid, isolated from the Suwannee River, Georgia, was assessed for its ability to bind Ca2+, Cd2+, Cu2+, Ni2+, and Zn2+ ions at pH 6 before and after extensive fractionation that was designed to reveal the nature of metal binding functional groups. The binding constant for Ca2+ ion had the greatest increase of all the ions in a metal binding fraction that was selected for intensive characterization for the purpose of building quantitative average model structures. The `metal binding' fraction was characterized by quantitative 13C NMR, 1H NMR, and FT-IR spectrometry and elemental, titrimetric, and molecular weight determinations. The characterization data revealed that carboxyl groups were clustered in short-chain aliphatic dibasic acid structures. The Ca2+ binding data suggested that ether-substituted oxysuccinic acid structures are good models for the metal binding sites at pH 6. Structural models were derived based upon oxidation and photolytic rearrangements of cutin, lignin, and tannin precursors. These structural models rich in substituted dibasic acid structures revealed polydentate binding sites with the potential for both inner-sphere and outer-sphere type binding. The majority of the fulvic acid molecule was involved with metal binding rather than a small substructural unit.

The effectiveness of computer-generated 3D animations in inquiry chemistry laboratory

NASA Astrophysics Data System (ADS)

Theall, Rachel Morgan

It has been shown that students need a molecular-level understanding of substances in order to comprehend chemistry. For solid structures, atomic-level understanding requires students to learn additional and different concepts than for other states of matter. To aid understanding, animations were created to model unit cell structures and depict the properties of unit cells. In order to determine if these animations are helpful to students, they were tested during a laboratory exercise in which students had previously been using model kits and images from textbooks to learn about solid structures. Students evaluated in this study were from two lecture sections of general chemistry, one that routinely used animations during lecture and one that used a more traditional lecture format that did not include animations or models. Twelve laboratory sections of these lectures, taught by six different instructors each teaching two sections, were chosen for participation. One section for each instructor was given the animations as an optional tool for completing the laboratory assignment, which consisted of questions about unit cells and crystal structures. The results of the study indicate that students who looked at the animations performed significantly better on the assignment. For the control group, students who routinely viewed multiple representations of chemistry in lecture performed significantly better on the lab assignment than students in the lecture section where chemistry concepts were only presented on the chalkboard and overhead projector. Students in the traditional lecture section also had significantly less appreciation for the model kits used in the laboratory than students in the other lecture section. Observations of students in the lab combined with statistical results led to the revision of the solid structures investigation. Additional animations were created and inserted into the module that covered areas where students indicated more help was needed. Movies of "real life" chemistry were also incorporated into the module to help students relate the investigation to prior knowledge.

New adatom model for Si(11) 7X7 and Si(111)Ge 5X5 reconstructed surfaces

NASA Technical Reports Server (NTRS)

Chadi, D. J.

1985-01-01

A new adatom model differing from the conventional model by a reconstruction of the substrate is proposed. The new adatom structure provides an explanation for the 7x7 and 5x5 size of the unit cells seen on annealed Si(111) and Si(111)-Ge surfaces, respectively. The model is consistent with structural information from vacuum-tunneling microscopy. It also provides simple explanations for stacking-fault-type features expected from Rutherford backscattering experiments and for similarities in the LEED and photoemission spectra of 2x1 and 7x7 surfaces.

A quasi-Hertzian stress field from an internal source: A possible working model for the Vredefort structure

NASA Technical Reports Server (NTRS)

Antoine, L. A. G.; Reimold, W. U.; Colliston, W. P.

1992-01-01

The Vredefort structure is a large domal feature about 110 km southeast of Johannesburg, South Africa, situated within and almost central to the large intracratonic Witwatersrand Basin. This structure consists of an Archean core of ca. 45 km in diameter, consisting largely of granitic gneiss, surrounded by a collar of metasedimentary and metavolcanic supracrustal rocks of the Dominian Group, Witwatersrand and Ventersdorp Supergroups, and Transvaal Sequence. The interpretation of images of the gravity and magnetic fields over Vredefort has permitted the delineation of several important features of the structure and of its environment. The outline of the collar strata is a prominent feature of both the gravity and the magnetic fields. The Vredefort structure shares this distinctive geometry with other structures (e.g., Manicouagan, Decaturville, Sierra Madera) of debated impact origin. In all these, successively older strata with steep outward dips are encountered while traversing inward to the center of the structure. A further attribute of these structures is the shortening of the outcrop of a particular stratigraphic unit compared to the original perimeter of that unit. To account for the geometric attributes of the Vredefort structure a mechanical scheme is required where there is radial movement of horizontal strata toward, with uplift in, the center of the Vredefort structure. Two models can be proposed: (1) one in which there is a rapid rise and violent disruption of cover rocks in response to expansion of a fluid accumulation; and (2) one in which there is, in contrast, a nonexplosive, quasi-Hertzian stress field resulting from a diapiric process. Both models can accommodate the geometry and structural components of Vredefort.

Prediction of novel stable Fe-V-Si ternary phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Manh Cuong; Chen, Chong; Zhao, Xin

Genetic algorithm searches based on a cluster expansion model are performed to search for stable phases of Fe-V-Si ternary. Here, we identify a new thermodynamically, dynamically and mechanically stable ternary phase of Fe 5V 2Si with 2 formula units in a tetragonal unit cell. The formation energy of this new ternary phase is -36.9 meV/atom below the current ternary convex hull. The magnetic moment of Fe in the new structure varies from -0.30-2.52 μ B depending strongly on the number of Fe nearest neighbors. The total magnetic moment is 10.44 μ B/unit cell for new Fe 5V 2Si structure andmore » the system is ordinarily metallic.« less

Prediction of novel stable Fe-V-Si ternary phase

DOE PAGES

Nguyen, Manh Cuong; Chen, Chong; Zhao, Xin; ...

2018-10-28

Genetic algorithm searches based on a cluster expansion model are performed to search for stable phases of Fe-V-Si ternary. Here, we identify a new thermodynamically, dynamically and mechanically stable ternary phase of Fe 5V 2Si with 2 formula units in a tetragonal unit cell. The formation energy of this new ternary phase is -36.9 meV/atom below the current ternary convex hull. The magnetic moment of Fe in the new structure varies from -0.30-2.52 μ B depending strongly on the number of Fe nearest neighbors. The total magnetic moment is 10.44 μ B/unit cell for new Fe 5V 2Si structure andmore » the system is ordinarily metallic.« less

Structure and Binding of Ionic Clusters in Th and Zr Chloride Melts

NASA Astrophysics Data System (ADS)

Akdeniz, Z.; Tosi, M. P.

2001-11-01

We discuss microscopic ionic models for the structure and the binding of small clusters which may exist as structural units in molten ThCl4 and ZrCl4 and in their mixtures with alkali halides according to Raman scattering studies of Photiadis and Papatheodorou. The models are adjusted to the two isolated tetrahedral molecules. Appreciably higher ionicity is found for ThCl4 than for ZrCl4, and this fact underlies the strikingly different behaviour of the two systems in the dense liquid state -in particular, a molecular-type structure for molten ZrCl4 against a structure including charged oligomers in molten ThCl4.

[The cultural history of palliative care in primitive societies: an integrative review].

PubMed

Siles González, José; Solano Ruiz, Maria Del Carmen

2012-08-01

The objective of this study is to describe the evolution of palliative care in order to reflect on the possibility of its origin in primitive cultures and their relationship with the beginnings of the cult of the dead. It describes the change in the symbolic structures and social interactions involved in palliative care during prehistory: functional unit, functional framework and functional element. The theoretical framework is based on cultural history, the dialectical structural model and symbolic interactionism. Categorization techniques, cultural history and dialectic structuralism analyses were performed. Palliative care existed in primitive societies, mostly associated with the rites of passage with a high symbolic content. The social structures - functional unit, functional framework and functional element - are the pillars that supported palliative care in prehistory societies.

Exploring new topography-based subgrid spatial structures for improving land surface modeling

DOE PAGES

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

2017-02-22

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

Exploring new topography-based subgrid spatial structures for improving land surface modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tesfa, Teklu K.; Leung, Lai-Yung Ruby

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation,more » slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.« less

The Design and Analysis of a Novel Split-H-Shaped Metamaterial for Multi-Band Microwave Applications

PubMed Central

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2014-01-01

This paper presents the design and analysis of a novel split-H-shaped metamaterial unit cell structure that is applicable in a multi-band frequency range and that exhibits negative permeability and permittivity in those frequency bands. In the basic design, the separate split-square resonators are joined by a metal link to form an H-shaped unit structure. Moreover, an analysis and a comparison of the 1 × 1 array and 2 × 2 array structures and the 1 × 1 and 2 × 2 unit cell configurations were performed. All of these configurations demonstrate multi-band operating frequencies (S-band, C-band, X-band and Ku-band) with double-negative characteristics. The equivalent circuit model and measured result for each unit cell are presented to validate the resonant behavior. The commercially available finite-difference time-domain (FDTD)-based simulation software, Computer Simulation Technology (CST) Microwave Studio, was used to obtain the reflection and transmission parameters of each unit cell. This is a novel and promising design in the electromagnetic paradigm for its simplicity, scalability, double-negative characteristics and multi-band operation. PMID:28788116

The Design and Analysis of a Novel Split-H-Shaped Metamaterial for Multi-Band Microwave Applications.

PubMed

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2014-07-02

This paper presents the design and analysis of a novel split-H-shaped metamaterial unit cell structure that is applicable in a multi-band frequency range and that exhibits negative permeability and permittivity in those frequency bands. In the basic design, the separate split-square resonators are joined by a metal link to form an H-shaped unit structure. Moreover, an analysis and a comparison of the 1 × 1 array and 2 × 2 array structures and the 1 × 1 and 2 × 2 unit cell configurations were performed. All of these configurations demonstrate multi-band operating frequencies (S-band, C-band, X-band and K u -band) with double-negative characteristics. The equivalent circuit model and measured result for each unit cell are presented to validate the resonant behavior. The commercially available finite-difference time-domain (FDTD)-based simulation software, Computer Simulation Technology (CST) Microwave Studio, was used to obtain the reflection and transmission parameters of each unit cell. This is a novel and promising design in the electromagnetic paradigm for its simplicity, scalability, double-negative characteristics and multi-band operation.

3D-Printing Crystallographic Unit Cells for Learning Materials Science and Engineering

ERIC Educational Resources Information Center

Rodenbough, Philip P.; Vanti, William B.; Chan, Siu-Wai

2015-01-01

Introductory materials science and engineering courses universally include the study of crystal structure and unit cells, which are by their nature highly visual 3D concepts. Traditionally, such topics are explored with 2D drawings or perhaps a limited set of difficult-to-construct 3D models. The rise of 3D printing, coupled with the wealth of…

The Role of Model Building in Problem Solving and Conceptual Change

ERIC Educational Resources Information Center

Lee, Chwee Beng; Jonassen, David; Teo, Timothy

2011-01-01

This study examines the effects of the activity of building systems models for school-based problems on problem solving and on conceptual change in elementary science classes. During a unit on the water cycle in an Asian elementary school, students constructed systems models of the water cycle. We found that representing ill-structured problems as…

Model for multi-stand management based on structural attributes of individual stands

Treesearch

G.W. Miller; J. Sullivan

1997-01-01

A growing interest in managing forest ecosystems calls for decision models that take into account attribute goals for large forest areas while continuing to recognize the individual stand as a basic unit of forest management. A dynamic, nonlinear forest management model is described that schedules silvicultural treatments for individual stands that are linked by multi-...

Forest product trade impacts of an invasive species: modeling structure and intervention trade-offs

Treesearch

Jeffrey Prestemon; Shushuai Zhu; James A. Turner; Joseph Buongiorno; Ruhong Li

2006-01-01

Asian gypsy and nun moth introductions into the United States, possibly arriving on imported Siberian coniferous logs, threaten domestic forests and product markers and could have global market consequences. We simulate, using the Global Forest Products Model (a spatial equilibrium model of the world forest sector), the consequences under current policies of a...

Using multilevel spatial models to understand salamander site occupancy patterns after wildfire

USGS Publications Warehouse

Chelgren, Nathan; Adams, Michael J.; Bailey, Larissa L.; Bury, R. Bruce

2011-01-01

Studies of the distribution of elusive forest wildlife have suffered from the confounding of true presence with the uncertainty of detection. Occupancy modeling, which incorporates probabilities of species detection conditional on presence, is an emerging approach for reducing observation bias. However, the current likelihood modeling framework is restrictive for handling unexplained sources of variation in the response that may occur when there are dependence structures such as smaller sampling units that are nested within larger sampling units. We used multilevel Bayesian occupancy modeling to handle dependence structures and to partition sources of variation in occupancy of sites by terrestrial salamanders (family Plethodontidae) within and surrounding an earlier wildfire in western Oregon, USA. Comparison of model fit favored a spatial N-mixture model that accounted for variation in salamander abundance over models that were based on binary detection/non-detection data. Though catch per unit effort was higher in burned areas than unburned, there was strong support that this pattern was due to a higher probability of capture for individuals in burned plots. Within the burn, the odds of capturing an individual given it was present were 2.06 times the odds outside the burn, reflecting reduced complexity of ground cover in the burn. There was weak support that true occupancy was lower within the burned area. While the odds of occupancy in the burn were 0.49 times the odds outside the burn among the five species, the magnitude of variation attributed to the burn was small in comparison to variation attributed to other landscape variables and to unexplained, spatially autocorrelated random variation. While ordinary occupancy models may separate the biological pattern of interest from variation in detection probability when all sources of variation are known, the addition of random effects structures for unexplained sources of variation in occupancy and detection probability may often more appropriately represent levels of uncertainty. ?? 2011 by the Ecological Society of America.

Graph Structure in Three National Academic Webs: Power Laws with Anomalies.

ERIC Educational Resources Information Center

Thelwall, Mike; Wilkinson, David

2003-01-01

Explains how the Web can be modeled as a mathematical graph and analyzes the graph structures of three national university publicly indexable Web sites from Australia, New Zealand, and the United Kingdom. Topics include commercial search engines and academic Web link research; method-analysis environment and data sets; and power laws. (LRW)

The molecular and crystal structure of dextrans: a combined electron and X-ray diffraction study. II. A low temperature, hydrated polymorph.

PubMed

Guizard, C; Chanzy, H; Sarko, A

1985-06-05

The crystal and molecular structure of a dextran hydrate has been determined through combined electron and X-ray diffraction analysis, aided by stereochemical model refinement. A total of 65 hk0 electron diffraction intensities were measured on frozen single crystals held at the temperature of liquid nitrogen, to a resolution limit of 1.6 A. The X-ray intensities were measured from powder patterns recorded from collections of the single crystals. The structure crystallizes in a monoclinic unit cell with parameters a = 25.71 A, b = 10.21 A, c (chain axis) = 7.76 A and beta = 91.3 degrees. The space group is P2(1) with b axis unique. The unit cell contains six chains and eight water molecules, with three chains of the same polarity and four water molecules constituting the asymmetric unit. Along the chain direction the asymmetric unit is a dimer residue; however, the individual glucopyranose residues are very nearly related by a molecular 2-fold screw axis. The conformation of the chain is very similar to that in the anhydrous structure, but the chain packing differs in the two structures in that the rotational positions of the chains about the helix axes (the chain setting angles) are considerably different. The chains still pack in the form of sheets that are separated by water molecules. The difference in the chain setting angles between the anhydrous and hydrate structures corresponds to the angle between like unit cell axes observed in the diffraction diagrams recorded from hybrid crystals containing both polymorphs. Despite some beam damage effects, the structure was determined to a satisfactory degree of agreement, with the residuals R''(electron diffraction) = 0.258 and R(X-ray) = 0.127.

Unit cell geometry of multiaxial preforms for structural composites

NASA Technical Reports Server (NTRS)

Ko, Frank; Lei, Charles; Rahman, Anisur; Du, G. W.; Cai, Yun-Jia

1993-01-01

The objective of this study is to investigate the yarn geometry of multiaxial preforms. The importance of multiaxial preforms for structural composites is well recognized by the industry but, to exploit their full potential, engineering design rules must be established. This study is a step in that direction. In this work the preform geometry for knitted and braided preforms was studied by making a range of well designed samples and studying them by photo microscopy. The structural geometry of the preforms is related to the processing parameters. Based on solid modeling and B-spline methodology a software package is developed. This computer code enables real time structural representations of complex fiber architecture based on the rule of preform manufacturing. The code has the capability of zooming and section plotting. These capabilities provide a powerful means to study the effect of processing variables on the preform geometry. the code also can be extended to an auto mesh generator for downstream structural analysis using finite element method. This report is organized into six sections. In the first section the scope and background of this work is elaborated. In section two the unit cell geometries of braided and multi-axial warp knitted preforms is discussed. The theoretical frame work of yarn path modeling and solid modeling is presented in section three. The thin section microscopy carried out to observe the structural geometry of the preforms is the subject in section four. The structural geometry is related to the processing parameters in section five. Section six documents the implementation of the modeling techniques into the computer code MP-CAD. A user manual for the software is also presented here. The source codes and published papers are listed in the Appendices.

Database Approach for Resource Management at ROK (Republic of Korea) Army Division Level.

DTIC Science & Technology

1987-12-01

found in the general ledger at that unit activity. Major Classification Account series Asset accounts 1000 - 1999 Liability accounts 2000 - 2999...shludge Suplie -Maeil-W." mt~a eiin R Dai V-xp uni EQUIPME NT Figure 5.2 Logical model of DRMS. 66 -0• P Entities of the resource management system...through the company level around the division and identifies the chain of command of a unit. . C. Structure (1) 1st digit: units classified into their

Nature and kinetic analysis of carbon-carbon bond fragmentation reactions of cation radicals derived from SET-oxidation of lignin model compounds.

PubMed

Cho, Dae Won; Parthasarathi, Ramakrishnan; Pimentel, Adam S; Maestas, Gabriel D; Park, Hea Jung; Yoon, Ung Chan; Dunaway-Mariano, Debra; Gnanakaran, S; Langan, Paul; Mariano, Patrick S

2010-10-01

Features of the oxidative cleavage reactions of diastereomers of dimeric lignin model compounds, which are models of the major types of structural units found in the lignin backbone, were examined. Cation radicals of these substances were generated by using SET-sensitized photochemical and Ce(IV) and lignin peroxidase promoted oxidative processes, and the nature and kinetics of their C-C bond cleavage reactions were determined. The results show that significant differences exist between the rates of cation radical C1-C2 bond cleavage reactions of 1,2-diaryl-(β-1) and 1-aryl-2-aryloxy-(β-O-4) propan-1,3-diol structural units found in lignins. Specifically, under all conditions C1-C2 bond cleavage reactions of cation radicals of the β-1 models take place more rapidly than those of the β-O-4 counterparts. The results of DFT calculations on cation radicals of the model compounds show that the C1-C2 bond dissociation energies of the β-1 lignin model compounds are significantly lower than those of the β-O-4 models, providing clear evidence for the source of the rate differences.

A Simulation Framework for Battery Cell Impact Safety Modeling Using LS-DYNA

DOE PAGES

Marcicki, James; Zhu, Min; Bartlett, Alexander; ...

2017-02-04

The development process of electrified vehicles can benefit significantly from computer-aided engineering tools that predict themultiphysics response of batteries during abusive events. A coupled structural, electrical, electrochemical, and thermal model framework has been developed within the commercially available LS-DYNA software. The finite element model leverages a three-dimensional mesh structure that fully resolves the unit cell components. The mechanical solver predicts the distributed stress and strain response with failure thresholds leading to the onset of an internal short circuit. In this implementation, an arbitrary compressive strain criterion is applied locally to each unit cell. A spatially distributed equivalent circuit model providesmore » an empirical representation of the electrochemical responsewith minimal computational complexity.The thermalmodel provides state information to index the electrical model parameters, while simultaneously accepting irreversible and reversible sources of heat generation. The spatially distributed models of the electrical and thermal dynamics allow for the localization of current density and corresponding temperature response. The ability to predict the distributed thermal response of the cell as its stored energy is completely discharged through the short circuit enables an engineering safety assessment. A parametric analysis of an exemplary model is used to demonstrate the simulation capabilities.« less

Structural characterization of an all-aminosugar-containing capsular polysaccharide from Colwellia psychrerythraea 34H

PubMed Central

Casillo, Angela; Ståhle, Jonas; Parrilli, Ermenegilda; Sannino, Filomena; Mitchell, Daniel E.; Pieretti, Giuseppina; Gibson, Matthew I.; Marino, Gennaro; Lanzetta, Rosa; Parrilli, Michelangelo; Widmalm, Göran; Tutino, Maria L.; Corsaro, Maria M.

2017-01-01

Colwellia psychrerythraea strain 34H, a Gram-negative bacterium isolated from Arctic marine sediments, is considered a model to study the adaptation to cold environments. Recently, we demonstrated that C. psychrerythraea 34H produces two different extracellular polysaccharides, a capsular polysaccharide and a medium released polysaccharide, which confer cryoprotection to the bacterium. In this study, we report the structure of an additional capsular polysaccharide produced by Colwellia grown at a different temperature. The structure was determined using chemical methods, and one- and two-dimensional NMR spectroscopy. The results showed a trisaccharide repeating unit made up of only amino-sugar residues: N-acetyl-galactosamine, 2,4-diacetamido-2,4,6-trideoxy-glucose (bacillosamine), and 2-acetamido-2-deoxyglucuronic acid with the following structure: →4)-β-d-GlcpNAcA-(1→3)-β-d-QuipNAc4NAc-(1→3)-β-d-GalpNAc-(1→. The 3D model, generated in accordance with 1H,1H-NOE NMR correlations and consisting of ten repeating units, shows a helical structure. In contrast with the other extracellular polysaccharides produced from Colwellia at 4 °C, this molecule displays only a low ice recrystallization inhibition activity. PMID:28161737

Measurement and modeling of short and medium range order in amorphous Ta 2O 5 thin films

DOE PAGES

Shyam, Badri; Stone, Kevin H.; Bassiri, Riccardo; ...

2016-08-26

Here, amorphous films and coatings are rapidly growing in importance. Yet, there is a dearth of high-quality structural data on sub-micron films. Not understanding how these materials assemble at atomic scale limits fundamental insights needed to improve their performance. Here, we use grazing-incidence x-ray total scattering measurements to examine the atomic structure of the top 50–100 nm of Ta 2O 5 films; mirror coatings that show high promise to significantly improve the sensitivity of the next generation of gravitational-wave detectors. Our measurements show noticeable changes well into medium range, not only between crystalline and amorphous, but also between as-deposited, annealedmore » and doped amorphous films. It is a further challenge to quickly translate the structural information into insights into mechanisms of packing and disorder. Here, we illustrate a modeling approach that allows translation of observed structural features to a physically intuitive packing of a primary structural unit based on a kinked Ta-O-Ta backbone. Our modeling illustrates how Ta-O-Ta units link to form longer 1D chains and even 2D ribbons, and how doping and annealing influences formation of 2D order. We also find that all the amorphousTa 2O 5 films studied in here are not just poorly crystalline but appear to lack true 3D order.« less

Mothers, Fathers, Peers, and Mexican-Origin Adolescents' Sexual Intentions

ERIC Educational Resources Information Center

Killoren, Sarah E.; Updegraff, Kimberly A.; Christopher, F. Scott; Umana-Taylor, Adriana J.

2011-01-01

Drawing on a symbolic-interaction perspective and a compensation model, the processes linking mother- and father-adolescent relationship qualities, deviant peer affiliations, and adolescents' sexual intentions were investigated for 246 Mexican-origin youths born in the United States and in Mexico using multiple-group structural equation models.…

Establishing an Explanatory Model for Mathematics Identity

ERIC Educational Resources Information Center

Cribbs, Jennifer D.; Hazari, Zahra; Sonnert, Gerhard; Sadler, Philip M.

2015-01-01

This article empirically tests a previously developed theoretical framework for mathematics identity based on students' beliefs. The study employs data from more than 9,000 college calculus students across the United States to build a robust structural equation model. While it is generally thought that students' beliefs about their own competence…

Meteorite Unit Models for Structural Properties

NASA Astrophysics Data System (ADS)

Agrawal, Parul; Carlozzi, Alexander A.; Karajeh, Zaid S.; Bryson, Kathryn L.

2017-10-01

To assess the threat posed by an asteroid entering Earth’s atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory. Due to complex composition, it is challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Young’s modulus, compressive and tensile strengths and Poisson’s ratio, that in turn would help deduce the properties of asteroids. The meteorite unit model is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition.The Young’s Modulus and Poisson’s Ratio in the meteorite units are calculated by performing several hundreds of Monte Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these units. The size, orientation and distribution of cracks are derived by CT-scans and visual scans of various meteorites. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These meteorite unit models will be subsequently used in fragmentation modeling of full scale asteroids.

A Structural Finite Element Model for Lamellar Unit of Aortic Media Indicates Heterogeneous Stress Field After Collagen Recruitment

PubMed Central

Thunes, James R.; Pal, Siladitya; Fortunato, Ronald N.; Phillippi, Julie A.; Gleason, Thomas G.; Vorp, David A.; Maiti, Spandan

2016-01-01

Incorporation of collagen structural information into the study of biomechanical behavior of ascending thoracic aortic (ATA) wall tissue should provide better insight into the pathophysiology of ATA. Structurally motivated constitutive models that include fiber dispersion and recruitment can successfully capture overall mechanical response of the arterial wall tissue. However, these models cannot examine local microarchitectural features of the collagen network, such as the effect of fiber disruptions and interaction between fibrous and non-fibrous components, which may influence emergent biomechanical properties of the tissue. Motivated by this need, we developed a finite element based three-dimensional structural model of the lamellar units of the ATA media that directly incorporates the collagen fiber microarchitecture. The fiber architecture was computer generated utilizing network features, namely fiber orientation distribution, intersection density and areal concentration, obtained from image analysis of multiphoton microscopy images taken from human aneurysmal ascending thoracic aortic media specimens with bicuspid aortic valve (BAV) phenotype. Our model reproduces the typical J-shaped constitutive response of the aortic wall tissue. We found that the stress state in the non-fibrous matrix was homogeneous until the collagen fibers were recruited, but became highly heterogeneous after that event. The degree of heterogeneity was dependent upon local network architecture with high stresses observed near disrupted fibers. The magnitude of non-fibrous matrix stress at higher stretch levels was negatively correlated with local fiber density. The localized stress concentrations, elucidated by this model, may be a factor in the degenerative changes in aneurysmal ATA tissue. PMID:27113538

Fine refinement of solid state structure of racemic form of phospho-tyrosine employing NMR Crystallography approach.

PubMed

Paluch, Piotr; Pawlak, Tomasz; Oszajca, Marcin; Lasocha, Wieslaw; Potrzebowski, Marek J

2015-02-01

We present step by step facets important in NMR Crystallography strategy employing O-phospho-dl-tyrosine as model sample. The significance of three major techniques being components of this approach: solid state NMR (SS NMR), X-ray diffraction of powdered sample (PXRD) and theoretical calculations (Gauge Invariant Projector Augmented Wave; GIPAW) is discussed. Each experimental technique provides different set of structural constraints. From the PXRD measurement the size of the unit cell, space group and roughly refined molecular structure are established. SS NMR provides information about content of crystallographic asymmetric unit, local geometry, molecular motion in the crystal lattice and hydrogen bonding pattern. GIPAW calculations are employed for validation of quality of elucidation and fine refinement of structure. Crystal and molecular structure of O-phospho-dl-tyrosine solved by NMR Crystallography is deposited at Cambridge Crystallographic Data Center under number CCDC 1005924. Copyright © 2014 Elsevier Inc. All rights reserved.

Structure of Toxoplasma gondii fructose-1,6-bisphosphate aldolase.

PubMed

Boucher, Lauren E; Bosch, Jürgen

2014-09-01

The apicomplexan parasite Toxoplasma gondii must invade host cells to continue its lifecycle. It invades different cell types using an actomyosin motor that is connected to extracellular adhesins via the bridging protein fructose-1,6-bisphosphate aldolase. During invasion, aldolase serves in the role of a structural bridging protein, as opposed to its normal enzymatic role in the glycolysis pathway. Crystal structures of the homologous Plasmodium falciparum fructose-1,6-bisphosphate aldolase have been described previously. Here, T. gondii fructose-1,6-bisphosphate aldolase has been crystallized in space group P22121, with the biologically relevant tetramer in the asymmetric unit, and the structure has been determined via molecular replacement to a resolution of 2.0 Å. An analysis of the quality of the model and of the differences between the four chains in the asymmetric unit and a comparison between the T. gondii and P. falciparum aldolase structures is presented.

Optimization of replacement and inspection decisions for multiple components on a power system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mauney, D.A.

1994-12-31

The use of optimization on the rescheduling of replacement dates provided a very proactive approach to deciding when components on individual units need to be addressed with a run/repair/replace decision. Including the effects of time value of money and taxes and unit need inside the spreadsheet model allowed the decision maker to concentrate on the effects of engineering input and replacement date decisions on the final net present value (NPV). The personal computer (PC)-based model was applied to a group of 140 forced outage critical fossil plant tube components across a power system. The estimated resulting NPV of the optimizationmore » was in the tens of millions of dollars. This PC spreadsheet model allows the interaction of inputs from structural reliability risk assessment models, plant foreman interviews, and actual failure history on a by component by unit basis across a complete power production system. This model includes not only the forced outage performance of these components caused by tube failures but, in addition, the forecasted need of the individual units on the power system and the expected cost of their replacement power if forced off line. The use of cash flow analysis techniques in the spreadsheet model results in the calculation of an NPV for a whole combination of replacement dates. This allows rapid assessments of {open_quotes}what if{close_quotes} scenarios of major maintenance projects on a systemwide basis and not just on a unit-by-unit basis.« less

3D structure of a complex of transform basins from gravity data, a case study from the central Dead Sea fault

NASA Astrophysics Data System (ADS)

Rosenthal, Michal; Schattner, Uri; Ben-Avraham, Zvi

2017-04-01

The Kinneret-Bet She'an (KBS) basin complex comprises the Sea of Galilee, Kinarot, and Bet She'an sub-basins. The complex developed at the intersection between two major tectonic boundaries: the Oligo-Miocene Azraq-Sirhan failed rift, that later developed into the southern Galilee basins and Carmel-Gilboa fault system; and the Dead Sea fault (DSF) plate boundary that developed since the Miocene. Despite numerous studies, KBS still remains one of the enigmatic basin complexes. Its structure, stratigraphy and development are vaguely understood - both inside the basin and in correlation with its surroundings. Our study presents a new and comprehensive 3D model for the structure of KBS complex. It is based on all available gravity measurements, adopted from the national gravity database, and new gravity measurements, collected in cooperation with the Geological Survey of Israel and funded by the Ministry of National Infrastructure, Energy and Water Resources. The gravity data were integrated with constraints from boreholes, surface geology, seismic surveys, potential field studies and teleseismic tomography. The dense distribution of gravity data [1] provides suitable coverage for modeling the deep structure in three dimensions. The model details the spatial distribution, depth, thickness and density of the following regional units within the KBS complex and across its surroundings: upper crust, pre-Senonian sediments, Senonian and Cenozoic sediments, Miocene volcanics, Pliocene and Quaternary volcanics. Additional local units include salt, gabbro and pyroclasts. Results indicate that the KBS complex comprises two sub-basins separated by a structural saddle: Kinneret-Kinarot ( 6-7 km deep, 45 km long) and Bet She'an ( 4 km deep, 10 km long) sub-basin. A 500 m thick layer of Miocene volcanics appears across the Bet She'an sub-basin, yet missing from the Kinneret-Kinarot sub-basin. Between the basins Zemah-1 borehole penetrated a salt unit. The model indicates that this unit is a part of a thick (1250 m) dome-shaped, perhaps diapiric, structure. A relatively thin (350 m) salt unit fills the Kinneret-Kinarot sub-basin. Above, a 700 m thick layer of Pliocene volcanics fills the entire KBS complex. These volcanics are uplifted in the Zemah area by 200 m. The Pliocene volcanics dip northward from Zemah towards the center of the Sea of Galilee, and further north the Pliocene volcanics dip southward from Korazim towards the center of the Sea of Galilee. The depth differences exceed 3 km across a distance of 15 km, forming a 11° slope below the younger Quaternary fill of the basin. A low-density, probably pyroclastic, lens is calculated within the uppermost 2 km of the Sea of Galilee fill. Scenarios for the development of the basin are discussed. [1] Rosenthal, M., Segev, A., Rybakov, M., Lyakhovsky, V. and Ben-Avraham, Z. (2015) The deep structure and density distribution of northern Israel and its surroundings. GSI Report No. GSI/12/2015, 33 pages, Jerusalem.

Configurable product design considering the transition of multi-hierarchical models

NASA Astrophysics Data System (ADS)

Ren, Bin; Qiu, Lemiao; Zhang, Shuyou; Tan, Jianrong; Cheng, Jin

2013-03-01

The current research of configurable product design mainly focuses on how to convert a predefined set of components into a valid set of product structures. With the scale and complexity of configurable products increasing, the interdependencies between customer demands and product structures grow up as well. The result is that existing product structures fails to satisfy the individual customer requirements and hence product variants are needed. This paper is aimed to build a bridge between customer demands and product structures in order to make demand-driven fast response design feasible. First of all, multi-hierarchical models of configurable product design are established with customer demand model, technical requirement model and product structure model. Then, the transition of multi-hierarchical models among customer demand model, technical requirement model and product structure model is solved with fuzzy analytic hierarchy process (FAHP) and the algorithm of multi-level matching. Finally, optimal structure according to the customer demands is obtained with the calculation of Euclidean distance and similarity of some cases. In practice, the configuration design of a clamping unit of injection molding machine successfully performs an optimal search strategy for the product variants with reasonable satisfaction to individual customer demands. The proposed method can automatically generate a configuration design with better alternatives for each product structures, and shorten the time of finding the configuration of a product.

[Mobile Health Units: An Analysis of Concepts and Implementation Requirements in Rural Regions.

PubMed

Hämel, K; Kutzner, J; Vorderwülbecke, J

2017-12-01

Access to health services in rural regions represents a challenge. The development of care models that respond to health service shortages and pay particular attention to the increasing health care needs of the elderly is an important concern. A model that has been implemented in other countries is that of mobile health units. But until now, there is no overview of their possible objectives, functions and implementation requirements. This paper is based on a literature analysis and an internet research on mobile health units in rural regions. Mobile health units aim to avoid regional undersupply and address particularly vulnerable population groups. In the literature, mobile health units are described with a focus on specific illnesses, as well as those that provide comprehensive, partly multi-professional primary care that is close to patients' homes. The implementation of mobile health units is demanding; the key challenges are (a) alignment to the needs of the regional population, (b) user-oriented access and promotion of awareness and acceptance of mobile health units by the local population, and (c) network building within existing care structures to ensure continuity of care for patients. To fulfill these requirements, a community-oriented program development and implementation is important. Mobile health units could represent an interesting model for the provision of health care in rural regions in Germany. International experiences are an important starting point and should be taken into account for the further development of models in Germany. © Georg Thieme Verlag KG Stuttgart · New York.

Structural convergence properties of amorphous InGaZnO4 from simulated liquid-quench methods.

PubMed

Buchanan, Jacob C; Fast, Dylan B; Hanken, Benjamin E; Mustard, Thomas J L; Laurita, Geneva; Chiang, Tsung-Han; Keszler, Douglas A; Subramanian, Mas A; Wager, John F; Dolgos, Michelle R; Rustad, James R; Cheong, Paul Ha-Yeon

2017-11-14

The study of structural properties of amorphous structures is complicated by the lack of long-range order and necessitates the use of both cutting-edge computer modeling and experimental techniques. With regards to the computer modeling, many questions on convergence arise when trying to assess the accuracy of a simulated system. What cell size maximizes the accuracy while remaining computationally efficient? More importantly, does averaging multiple smaller cells adequately describe features found in bulk amorphous materials? How small is too small? The aims of this work are: (1) to report a newly developed set of pair potentials for InGaZnO 4 and (2) to explore the effects of structural parameters such as simulation cell size and numbers on the structural convergence of amorphous InGaZnO 4 . The total number of formula units considered over all runs is found to be the critical factor in convergence as long as the cell considered contains a minimum of circa fifteen formula units. There is qualitative agreement between these simulations and X-ray total scattering data - peak trends and locations are consistently reproduced while intensities are weaker. These new IGZO pair potentials are a valuable starting point for future structural refinement efforts.

Protein Structure and Function Prediction Using I-TASSER

PubMed Central

Yang, Jianyi; Zhang, Yang

2016-01-01

I-TASSER is a hierarchical protocol for automated protein structure prediction and structure-based function annotation. Starting from the amino acid sequence of target proteins, I-TASSER first generates full-length atomic structural models from multiple threading alignments and iterative structural assembly simulations followed by atomic-level structure refinement. The biological functions of the protein, including ligand-binding sites, enzyme commission number, and gene ontology terms, are then inferred from known protein function databases based on sequence and structure profile comparisons. I-TASSER is freely available as both an on-line server and a stand-alone package. This unit describes how to use the I-TASSER protocol to generate structure and function prediction and how to interpret the prediction results, as well as alternative approaches for further improving the I-TASSER modeling quality for distant-homologous and multi-domain protein targets. PMID:26678386

A multivariate multilevel Gaussian model with a mixed effects structure in the mean and covariance part.

PubMed

Li, Baoyue; Bruyneel, Luk; Lesaffre, Emmanuel

2014-05-20

A traditional Gaussian hierarchical model assumes a nested multilevel structure for the mean and a constant variance at each level. We propose a Bayesian multivariate multilevel factor model that assumes a multilevel structure for both the mean and the covariance matrix. That is, in addition to a multilevel structure for the mean we also assume that the covariance matrix depends on covariates and random effects. This allows to explore whether the covariance structure depends on the values of the higher levels and as such models heterogeneity in the variances and correlation structure of the multivariate outcome across the higher level values. The approach is applied to the three-dimensional vector of burnout measurements collected on nurses in a large European study to answer the research question whether the covariance matrix of the outcomes depends on recorded system-level features in the organization of nursing care, but also on not-recorded factors that vary with countries, hospitals, and nursing units. Simulations illustrate the performance of our modeling approach. Copyright © 2013 John Wiley & Sons, Ltd.

Structure of chromatin and the linking number of DNA.

PubMed Central

Worcel, A; Strogatz, S; Riley, D

1981-01-01

Recent observations suggest that the basic supranucleosomal structure of chromatin is a zigzag helical ribbon with a repeat unit made of two nucleosomes connected by a relaxed spacer DNA. A remarkable feature of one particular ribbon is that it solves the apparent paradox between the number of DNA turns per nucleosome and the total linking number of a nucleosome-containing closed circular DNA molecule. We show here that the repeat unit of the proposed structure, which contains two nucleosomes with -1 3/4 DNA turns per nucleosome and one spacer crossover per repeat, contributes -2 to the linking number of closed circular DNA. Space-filling models show that the cylindrical 250-A chromatin fiber can be generated by twisting the ribbon. Images PMID:6940168

The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.

PubMed

Miles-Barrett, Daniel M; Neal, Andrew R; Hand, Calum; Montgomery, James R D; Panovic, Isabella; Ojo, O Stephen; Lancefield, Christopher S; Cordes, David B; Slawin, Alexandra M Z; Lebl, Tomas; Westwood, Nicholas J

2016-10-25

Understanding the structure of technical lignins resulting from acid-catalysed treatment of lignocellulosic biomass is important for their future applications. Here we report an investigation into the fate of lignin under acidic aqueous organosolv conditions. In particular we examine in detail the formation and reactivity of non-native Hibbert ketone structures found in isolated organosolv lignins from both Douglas fir and beech woods. Through the use of model compounds combined with HSQC, HMBC and HSQC-TOCSY NMR experiments we demonstrate that, depending on the lignin source, both S and G lignin-bound Hibbert ketone units can be present. We also show that these units can serve as a source of novel mono-aromatic compounds following an additional lignin depolymerisation reaction.

Simulating the heterogeneity in braided channel belt deposits: 2. Examples of results and comparison to natural deposits

NASA Astrophysics Data System (ADS)

Guin, Arijit; Ramanathan, Ramya; Ritzi, Robert W.; Dominic, David F.; Lunt, Ian A.; Scheibe, Timothy D.; Freedman, Vicky L.

2010-04-01

In part 1 of this paper (Ramanathan et al., 2010b) we presented a methodology and a code for modeling the hierarchical sedimentary architecture in braided channel belt deposits. Here in part 2, the code was used to create a digital model of this architecture and the corresponding spatial distribution of permeability. The simulated architecture was compared to the real stratal architecture observed in an abandoned channel belt. The comparisons included assessments of similarity which were both qualitative and quantitative. The qualitative comparisons show that the geometries of unit types within the synthetic deposits are generally consistent with field observations. The unit types in the synthetic deposits would generally be recognized as representing their counterparts in nature, including cross stratasets, lobate and scroll bar deposits, and channel fills. Furthermore, the synthetic deposits have a hierarchical spatial relationship among these units consistent with observations from field exposures and geophysical images. In quantitative comparisons the proportions and the length, width, and height of unit types at different scales, across all levels of the stratal hierarchy, compare well between the synthetic and the natural deposits. A number of important attributes of the synthetic channel belt deposits are shown to be influenced by more than one level within the hierarchy of stratal architecture. First, the high-permeability open-framework gravels connected across all levels and thus formed preferential flow pathways; open-framework gravels are known to form preferential flow pathways in natural channel belt deposits. The nature of a connected cluster changed across different levels of the stratal hierarchy, and as a result of the geologic structure, the connectivity occurs at proportions of open-framework gravels below the theoretical percolation threshold for random infinite media. Second, when the channel belt model was populated with permeability distributions by lowest-level unit type, the composite permeability semivariogram contained structures that were identifiable at more than one scale, and each of these structures could be directly linked to unit types of different scales existing at different levels within the hierarchy of strata. These collective results are encouraging with respect to our goal that this model be relevant for testing ideas in future research on flow and transport in aquifers and reservoirs with multiscale heterogeneity.

Elucidation of neurophysin/bioligand interactions from molecular modeling.

PubMed

Kaźmierkiewicz, R; Czaplewski, C; Ciarkowski, J

1997-01-01

This is a review of our recent modeling work aimed at: (i) development and assessment of techniques for reliable refinement of low-resolution protein structures and (ii) using these techniques, at solving specific problems pertinent to neurophysin-bioligand interactions. Neurophysins I and II (NPI and NPII) serve in the neurosecretory granules of the posterior pituitary as carrier proteins for the neurophyseal hormones oxytocin (OT) and vasopressin (VP), respectively, until the latter are released into blood. NPs are homologous two-domain, sulphur rich small proteins (93-95 residues, 7 disulphide bridges per monomer), capable of being aggregated. The C2 symmetrical NPI2 and NPII2 homodimers, and the (NPI/OT)2 and (NPII/VP)2 heterotetramers, all believed to be the smallest functional units, were modeled using low-resolution structure information, i.e. the C alpha-carbon coordinates of the homologous NPII/dipeptide complex as a template. The all-atom representations of the models were obtained using the SYBYL suite of programs (by Tripos, Inc.). Subsequently, they were relaxed, using a constrained simulated annealing (CSA) protocol, and submitted to about 100 ps molecular dynamics (MD) in water, using the AMBER 4.1 force field. The (NPI/OT)2 and (NPII/VP)2 structures, averaged after the last 20 ps of MD, were remarkably similar to those recently reported either for NPII/dipeptide or NPII/oxytocin complex in the solid state (Chen et al., 1991, Proc. Natl. Acad. Sci., U.S.A. 88, 4240-4244; Rose et al., 1996, Nature Struct. Biol. 3, 163-169). The results indicate that the 3(10) helices (terminating the amino domains) and the carboxyl domains are more mobile than the remainder of the NP monomers. The hormones become anchored by residues 1-3 and 6 to the host, leaving residues 4-5 and 7-9 exposed on the surface and free to move. A cluster of attractive interactions, extending from the ligand binding site, Tyr-24-Ile-26 of unit 1(2), to the inter-monomer interface Val-36 of unit 1(2), Cys-79 and Ile-72 of unit 2(1), is clearly seen. We suggest that both these interactions as well as the increased mobility of the 3(10) helix and the carboxyl domain may contribute to the allosteric communication between the ligand and the unit1-unit2 interface.

Local structure of Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot}2H{sub 2}O by the modeling of X-ray diffuse scattering - from average-structure to microdomain model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komornicka, Dorota; Wolcyrz, Marek, E-mail: m.wolcyrz@int.pan.wroc.pl; Pietraszko, Adam

2012-08-15

Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate - Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot} 2H{sub 2}O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO{sub 4} tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO{sub 4} tetrahedra configuration locally fulfilling condition for C-centering in the 2a Multiplication-Sign 2b Multiplication-Sign c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomainsmore » can be taken into account. Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO{sub 4} and LiO{sub 4} tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO{sub 4} tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section - on the left), streaks - on sections with fractional ones (1.5 kl section - on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO{sub 4} and LiO{sub 4} terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a Multiplication-Sign 2b unit cell is shown. Highlights: Black-Right-Pointing-Pointer X-ray diffuse scattering in RLSO was registered and modeled. Black-Right-Pointing-Pointer The origin of diffuse streaks is SeO{sub 4} tetrahedra switching in two structure layers. Black-Right-Pointing-Pointer The local structure is characterized by a uniform distribution of microdomains. Black-Right-Pointing-Pointer Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming ribbons. Black-Right-Pointing-Pointer The ribbons are bound to each other by a net of hydrogen bonds.« less

Application of Markov chain Monte Carlo analysis to biomathematical modeling of respirable dust in US and UK coal miners

PubMed Central

Sweeney, Lisa M.; Parker, Ann; Haber, Lynne T.; Tran, C. Lang; Kuempel, Eileen D.

2015-01-01

A biomathematical model was previously developed to describe the long-term clearance and retention of particles in the lungs of coal miners. The model structure was evaluated and parameters were estimated in two data sets, one from the United States and one from the United Kingdom. The three-compartment model structure consists of deposition of inhaled particles in the alveolar region, competing processes of either clearance from the alveolar region or translocation to the lung interstitial region, and very slow, irreversible sequestration of interstitialized material in the lung-associated lymph nodes. Point estimates of model parameter values were estimated separately for the two data sets. In the current effort, Bayesian population analysis using Markov chain Monte Carlo simulation was used to recalibrate the model while improving assessments of parameter variability and uncertainty. When model parameters were calibrated simultaneously to the two data sets, agreement between the derived parameters for the two groups was very good, and the central tendency values were similar to those derived from the deterministic approach. These findings are relevant to the proposed update of the ICRP human respiratory tract model with revisions to the alveolar-interstitial region based on this long-term particle clearance and retention model. PMID:23454101

The Forest Vegetation Simulator: A review of its structure, content, and applications

Treesearch

Nicholas L. Crookston; Gary E. Dixon

2005-01-01

The Forest Vegetation Simulator (FVS) is a distance-independent, individual-tree forest growth model widely used in the United States to support management decisionmaking. Stands are the basic projection unit, but the spatial scope can be many thousands of stands. The temporal scope is several hundred years at a resolution of 5­10 years. Projections start with a...

Harvesting choices and timber supply among landowners in the southern United States

Treesearch

Daowei Zhang; Xing Sun; Brett J. Butler; Jeffrey P. Prestemon

2015-01-01

The recent rise of institutional timberland ownership has led to a significant change in the structure and conduct of the timber industry in the United States. In this study,we apply a two-period harvest model to assess the timber harvesting behavior of various landowners at the stand level by utilizing USDA Forest Service Forest Inventory and Analysis data for nine...

Further Validation of the Psychosocial Costs of Racism to Whites Scale on a Sample of University Students in the Southeastern United States

ERIC Educational Resources Information Center

Sifford, Amy; Ng, Kok-Mun; Wang, Chuang

2009-01-01

We examined the factor structure of the Psychosocial Costs of Racism to Whites Scale (PCRW; Spanierman & Heppner, 2004) on 766 White American university students from the southeastern United States. Results from confirmatory factor analyses supported the 3-factor model proposed by Spanierman and Heppner (2004). The construct validity of the…

Learning algorithm in restricted Boltzmann machines using Kullback-Leibler importance estimation procedure

NASA Astrophysics Data System (ADS)

Yasuda, Muneki; Sakurai, Tetsuharu; Tanaka, Kazuyuki

Restricted Boltzmann machines (RBMs) are bipartite structured statistical neural networks and consist of two layers. One of them is a layer of visible units and the other one is a layer of hidden units. In each layer, any units do not connect to each other. RBMs have high flexibility and rich structure and have been expected to applied to various applications, for example, image and pattern recognitions, face detections and so on. However, most of computational models in RBMs are intractable and often belong to the class of NP-hard problem. In this paper, in order to construct a practical learning algorithm for them, we employ the Kullback-Leibler Importance Estimation Procedure (KLIEP) to RBMs, and give a new scheme of practical approximate learning algorithm for RBMs based on the KLIEP.

Scaling properties of European research units

PubMed Central

Jamtveit, Bjørn; Jettestuen, Espen; Mathiesen, Joachim

2009-01-01

A quantitative characterization of the scale-dependent features of research units may provide important insight into how such units are organized and how they grow. The relative importance of top-down versus bottom-up controls on their growth may be revealed by their scaling properties. Here we show that the number of support staff in Scandinavian research units, ranging in size from 20 to 7,800 staff members, is related to the number of academic staff by a power law. The scaling exponent of ≈1.30 is broadly consistent with a simple hierarchical model of the university organization. Similar scaling behavior between small and large research units with a wide range of ambitions and strategies argues against top-down control of the growth. Top-down effects, and externally imposed effects from changing political environments, can be observed as fluctuations around the main trend. The observed scaling law implies that cost-benefit arguments for merging research institutions into larger and larger units may have limited validity unless the productivity per academic staff and/or the quality of the products are considerably higher in larger institutions. Despite the hierarchical structure of most large-scale research units in Europe, the network structures represented by the academic component of such units are strongly antihierarchical and suboptimal for efficient communication within individual units. PMID:19625626

Imaging the Chicxulub central crater zone from large scale seismic acoustic wave propagation and gravity modeling

NASA Astrophysics Data System (ADS)

Fucugauchi, J. U.; Ortiz-Aleman, C.; Martin, R.

2017-12-01

Large complex craters are characterized by central uplifts that represent large-scale differential movement of deep basement from the transient cavity. Here we investigate the central sector of the large multiring Chicxulub crater, which has been surveyed by an array of marine, aerial and land-borne geophysical methods. Despite high contrasts in physical properties,contrasting results for the central uplift have been obtained, with seismic reflection surveys showing lack of resolution in the central zone. We develop an integrated seismic and gravity model for the main structural elements, imaging the central basement uplift and melt and breccia units. The 3-D velocity model built from interpolation of seismic data is validated using perfectly matched layer seismic acoustic wave propagation modeling, optimized at grazing incidence using shift in the frequency domain. Modeling shows significant lack of illumination in the central sector, masking presence of the central uplift. Seismic energy remains trapped in an upper low velocity zone corresponding to the sedimentary infill, melt/breccias and surrounding faulted blocks. After conversion of seismic velocities into a volume of density values, we use massive parallel forward gravity modeling to constrain the size and shape of the central uplift that lies at 4.5 km depth, providing a high-resolution image of crater structure.The Bouguer anomaly and gravity response of modeled units show asymmetries, corresponding to the crater structure and distribution of post-impact carbonates, breccias, melt and target sediments

Charge delocalization characteristics of regioregular high mobility polymers

DOE PAGES

Coughlin, J. E.; Zhugayevych, A.; Wang, M.; ...

2017-01-01

Controlling the regioregularity among the structural units of narrow bandgap conjugated polymer backbones has led to improvements in optoelectronic properties, for example in the mobilities observed in field effect transistor devices. To investigate how the regioregularity affects quantities relevant to hole transport, regioregular and regiorandom oligomers representative of polymeric structures were studied using density functional theory. Several structural and electronic characteristics of the oligomers were compared, including chain planarity, cation spin density, excess charges on molecular units and internal reorganizational energy. The main difference between the regioregular and regiorandom oligomers is found to be the conjugated backbone planarity, while themore » reorganizational energies calculated are quite similar across the molecular family. Lastly, this work constitutes the first step on understanding the complex interplay of atomistic changes and an oligomer backbone structure toward modeling the charge transport properties.« less

Cross-Cultural Validation of the Preventive Health Model for Colorectal Cancer Screening: An Australian Study

ERIC Educational Resources Information Center

Flight, Ingrid H.; Wilson, Carlene J.; McGillivray, Jane; Myers, Ronald E.

2010-01-01

We investigated whether the five-factor structure of the Preventive Health Model for colorectal cancer screening, developed in the United States, has validity in Australia. We also tested extending the model with the addition of the factor Self-Efficacy to Screen using Fecal Occult Blood Test (SESFOBT). Randomly selected men and women aged between…

Models that predict standing crop of stream fish from habitat variables: 1950-85.

Treesearch

K.D. Fausch; C.L. Hawkes; M.G. Parsons

1988-01-01

We reviewed mathematical models that predict standing crop of stream fish (number or biomass per unit area or length of stream) from measurable habitat variables and classified them by the types of independent habitat variables found significant, by mathematical structure, and by model quality. Habitat variables were of three types and were measured on different scales...

How well do terrestrial biosphere models simulate coarse-scale runoff in the contiguous United States?

Treesearch

C.R. Schwalm; D.N. Huntzinger; R.B. Cook; Y. Wei; I.T. Baker; R.P. Neilson; B. Poulter; Peter Caldwell; G. Sun; H.Q. Tian; N. Zeng

2015-01-01

Significant changes in the water cycle are expected under current global environmental change. Robust assessment of present-day water cycle dynamics at continental to global scales is confounded by shortcomings in the observed record. Modeled assessments also yield conflicting results which are linked to differences in model structure and simulation protocol. Here we...

Middle Grades' School Models and Their Impact on Early Adolescent Self-Esteem

ERIC Educational Resources Information Center

Booth, Margaret Zoller; Sheehan, Heather Chase; Earley, Mark A.

2007-01-01

Throughout the world, school grade structures are most variable during the early adolescent years when students can find themselves in a variety of school models. This paper investigates the impact of two popular school models in the United States (middle school and K-8) on the self-esteem and self-concept of early adolescents. Based on mixed…

Buzzwords and newspeak

NASA Astrophysics Data System (ADS)

Swartz, Clifford E.

2000-03-01

You have to read beneath the lines in this business. Every week I get manuscripts filled with words and phrases fraught with cabalistic meaning. Would you believe, for instance, that in using the modeling method of teaching that the carefully structured development and concept flow would lead through Socratic dialogue to a rich classroom discourse? Perhaps it would help if I reminded you that a model is a primary unit of coherently structured knowledge. Of course, I am speaking only of the essence of models that are at the heart of modeling theory. These depend on student-centered teaching that is research-informed, leading to interactive engagement methods and cooperative learning.

Therapist turnover and new program sustainability in mental health clinics as a function of organizational culture, climate, and service structure.

PubMed

Glisson, Charles; Schoenwald, Sonja K; Kelleher, Kelly; Landsverk, John; Hoagwood, Kimberly Eaton; Mayberg, Stephen; Green, Philip

2008-03-01

The present study incorporates organizational theory and organizational characteristics in examining issues related to the successful implementation of mental health services. Following the theoretical foundations of socio-technical and cultural models of organizational effectiveness, organizational climate, culture, legal and service structures, and workforce characteristics are examined as correlates of therapist turnover and new program sustainability in a nationwide sample of mental health clinics. Results of General Linear Modeling (GLM) with the organization as the unit of analysis revealed that organizations with the best climates as measured by the Organizational Social Context (OSC) profiling system, had annual turnover rates (10%) that were less than half the rates found in organizations with the worst climates (22%). In addition, organizations with the best culture profiles sustained new treatment or service programs over twice as long (50 vs. 24 months) as organizations with the worst cultures. Finally, clinics with separate children's services units had higher turnover rates than clinics that served adults and children within the same unit. The findings suggest that strategies to support the implementation of new mental health treatments and services should attend to organizational culture and climate, and to the compatibility of organizational service structures with the demand characteristics of treatments.

Optimum element density studies for finite-element thermal analysis of hypersonic aircraft structures

NASA Technical Reports Server (NTRS)

Ko, William L.; Olona, Timothy; Muramoto, Kyle M.

1990-01-01

Different finite element models previously set up for thermal analysis of the space shuttle orbiter structure are discussed and their shortcomings identified. Element density criteria are established for the finite element thermal modelings of space shuttle orbiter-type large, hypersonic aircraft structures. These criteria are based on rigorous studies on solution accuracies using different finite element models having different element densities set up for one cell of the orbiter wing. Also, a method for optimization of the transient thermal analysis computer central processing unit (CPU) time is discussed. Based on the newly established element density criteria, the orbiter wing midspan segment was modeled for the examination of thermal analysis solution accuracies and the extent of computation CPU time requirements. The results showed that the distributions of the structural temperatures and the thermal stresses obtained from this wing segment model were satisfactory and the computation CPU time was at the acceptable level. The studies offered the hope that modeling the large, hypersonic aircraft structures using high-density elements for transient thermal analysis is possible if a CPU optimization technique was used.

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

NASA Astrophysics Data System (ADS)

Takayanagi, Kunio; Tanishiro, Yasumasa; Takahashi, Shigeki; Takahashi, Masaetsu

1985-12-01

The atomic structure of the 7 × 7 reconstructed Si(111) surface has been analysed by ultra-high vacuum (UHV) transmission electron diffraction (TED). A possible projected structure of the surface is deduced from the intensity distribution in TED patterns of normal electron incidence and from Patterson and Fourier syntheses of the intensities. A new three-dimensional structure model, the DAS model, is proposed: The model consists of 12 adatoms arranged locally in the 2 × 2 structure, a stacking fault layer and a layer with a vacancy at the corner and 9 dimers on the sides of each of the two triangular subcells of the 7 × 7 unit cell. The silicon layers in one subcell are stacked with the normal sequence, CcAaB + adatoms, while those in the other subcell are stacked with a faulted sequence, CcAa/C + adatoms. The model has only 19 dangling bonds, the smallest number among models so far proposed. Previously proposed models are tested quantitatively by the TED intensity. Advantages and limits of the TED analysis are discussed.

Influence of molecular designs on polaronic and vibrational transitions in a conjugated push-pull copolymer

NASA Astrophysics Data System (ADS)

Cobet, Christoph; Gasiorowski, Jacek; Menon, Reghu; Hingerl, Kurt; Schlager, Stefanie; White, Matthew S.; Neugebauer, Helmut; Sariciftci, N. Serdar; Stadler, Philipp

2016-10-01

Electron-phonon interactions of free charge-carriers in doped pi-conjugated polymers are conceptually described by 1-dimensional (1D) delocalization. Thereby, polaronic transitions fit the 1D-Froehlich model in quasi-confined chains. However, recent developments in conjugated polymers have diversified the backbones to become elaborate heterocylcic macromolecules. Their complexity makes it difficult to investigate the electron-phonon coupling. In this work we resolve the electron-phonon interactions in the ground and doped state in a complex push-pull polymer. We focus on the polaronic transitions using in-situ spectroscopy to work out the differences between single-unit and push-pull systems to obtain the desired structural- electronic correlations in the doped state. We apply the classic 1D-Froehlich model to generate optical model fits. Interestingly, we find the 1D-approach in push-pull polarons in agreement to the model, pointing at the strong 1D-character and plain electronic structure of the push-pull structure. In contrast, polarons in the single-unit polymer emerge to a multi- dimensional problem difficult to resolve due to their anisotropy. Thus, we report an enhancement of the 1D-character by the push-pull concept in the doped state - an important view in light of the main purpose of push-pull polymers for photovoltaic devices.

Collagen Peptides from Crucian Skin Improve Calcium Bioavailability and Structural Characterization by HPLC-ESI-MS/MS.

PubMed

Hou, Tao; Liu, Yanshuang; Guo, Danjun; Li, Bo; He, Hui

2017-10-11

The effects of collagen peptides (CPs), which are derived from crucian skin, were investigated in a retinoic acid-induced bone loss model. The level of serum bone alkaline phosphatase (BALP) in the model group (117.65 ± 4.66 units/L) was significantly higher than those of the other three groups (P < 0.05). After treatment with 600 and 1200 mg of CPs/kg, the level of BALP decreased to 85.26 ± 7.35 and 97.03 ± 7.21 units/L, respectively. After treatment with 600 mg of CPs/kg, the bone calcium content significantly increased by 22% (femur) and 12.38% (tibia) compared to those of the model group. In addition, the bone mineral density in the 600 mg of CPs/kg group was significantly higher (femur, 0.37 ± 0.02 g/cm 2 ; tibia, 0.33 ± 0.02 g/cm 2 ) than in the model group (femur, 0.26 ± 0.01 g/cm 2 ; tibia, 0.23 ± 0.02 g/cm 2 ). The morphology results indicated bone structure improved after the treatment with CPs. Structural characterization demonstrated that Glu, Lys, and Arg play important roles in binding calcium and promoting calcium uptake. Our results indicated that CPs could promote calcium uptake and regulate bone formation.

Study on dynamic characteristics of hydraulic pumping unit on offshore platform

NASA Astrophysics Data System (ADS)

Chang, Zong-yu; Yu, Yan-qun; Qi, Yao-guang

2017-12-01

A new technology of offshore oil rod pumping production is developed for offshore heavy oil recovery. A new type of miniature hydraulic pumping unit with long-stroke, low pumping speed and compact structure is designed based on the spatial characteristics of offshore platforms. By combining the strengths of sinusoidal velocity curve and trapezoidal velocity curve, a kinematical model of the acceleration, the velocity and displacement of the pumping unit's hanging point is established. The results show that the pumping unit has good kinematic characteristics of smooth motion and small dynamic load. The multi-degree-of-freedom dynamic model of the single-well pumping unit is established. The first and second order natural frequencies of the sucker rod string subsystem and the pumping unit subsystem are studied. The results show that the first and the second order natural frequencies among the pumping rod string, pumping unit-platform subsystem and the dynamic excitation have differences over 5 times from each other, indicating that resonance phenomenon will not appear during the operation and the dynamic requirements for field use are met in the system.

General mechanism of two-state protein folding kinetics.

PubMed

Rollins, Geoffrey C; Dill, Ken A

2014-08-13

We describe here a general model of the kinetic mechanism of protein folding. In the Foldon Funnel Model, proteins fold in units of secondary structures, which form sequentially along the folding pathway, stabilized by tertiary interactions. The model predicts that the free energy landscape has a volcano shape, rather than a simple funnel, that folding is two-state (single-exponential) when secondary structures are intrinsically unstable, and that each structure along the folding path is a transition state for the previous structure. It shows how sequential pathways are consistent with multiple stochastic routes on funnel landscapes, and it gives good agreement with the 9 order of magnitude dependence of folding rates on protein size for a set of 93 proteins, at the same time it is consistent with the near independence of folding equilibrium constant on size. This model gives estimates of folding rates of proteomes, leading to a median folding time in Escherichia coli of about 5 s.

Curriculum Integration in Context: An Exploration of How Structures and Circumstances Affect Design and Implementation.

ERIC Educational Resources Information Center

Johnson, Amy Bell; Charner, Ivan; White, Robin

In order to obtain firsthand information about different approaches and strategies for curriculum integration, case studies of curriculum integration models were conducted in seven sites across the United States. It was concluded that the presence or lack of certain contextual factors related to structure and operations had implications for the…

Validation of the Parenting Stress Index--Short Form with Minority Caregivers

ERIC Educational Resources Information Center

Lee, Sang Jung; Gopalan, Geetha; Harrington, Donna

2016-01-01

Objectives: There has been little examination of the structural validity of the Parenting Stress Index--Short Form (PSI-SF) for minority populations in clinical contexts in the Unites States. This study aimed to test prespecified factor structures (one-factor, two-factor, and three-factor models) of the PSI-SF. Methods: This study used…

Hydrogen segregation to inclined Σ3 < 110 >twin grain boundaries in nickel

DOE PAGES

O’Brien, Christopher J.; Foiles, Stephen M.

2016-08-04

Low-mobility twin grain boundaries dominate the microstructure of grain boundary-engineered materials and are critical to understanding their plastic deformation behaviour. The presence of solutes, such as hydrogen, has a profound effect on the thermodynamic stability of the grain boundaries. This work examines the case of a Σ3 grain boundary at inclinations from 0° ≤ Φ ≤ 90°. The angle Φ corresponds to the rotation of the Σ3 (1 1 1) < 1 1 0 > (coherent) into the Σ3 (1 1 2) < 1 1 0 > (lateral) twin boundary. To this end, atomistic models of inclined grain boundaries, utilisingmore » empirical potentials, are used to elucidate the finite-temperature boundary structure while grand canonical Monte Carlo models are applied to determine the degree of hydrogen segregation. In order to understand the boundary structure and segregation behaviour of hydrogen, the structural unit description of inclined twin grain boundaries is found to provide insight into explaining the observed variation of excess enthalpy and excess hydrogen concentration on inclination angle, but the explanatory power is limited by how the enthalpy of segregation is affected by hydrogen concentration. At higher concentrations, the grain boundaries undergo a defaceting transition. In order to develop a more complete mesoscale model of the interfacial behaviour, an analytical model of boundary energy and hydrogen segregation that relies on modelling the boundary as arrays of discrete 1/3 < 1 1 1 > disconnections is constructed. Lastly, the complex interaction of boundary reconstruction and concentration-dependent segregation behaviour exhibited by inclined twin grain boundaries limits the range of applicability of such an analytical model and illustrates the fundamental limitations for a structural unit model description of segregation in lower stacking fault energy materials.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

O’Brien, Christopher J.; Foiles, Stephen M.

Low-mobility twin grain boundaries dominate the microstructure of grain boundary-engineered materials and are critical to understanding their plastic deformation behaviour. The presence of solutes, such as hydrogen, has a profound effect on the thermodynamic stability of the grain boundaries. This work examines the case of a Σ3 grain boundary at inclinations from 0° ≤ Φ ≤ 90°. The angle Φ corresponds to the rotation of the Σ3 (1 1 1) < 1 1 0 > (coherent) into the Σ3 (1 1 2) < 1 1 0 > (lateral) twin boundary. To this end, atomistic models of inclined grain boundaries, utilisingmore » empirical potentials, are used to elucidate the finite-temperature boundary structure while grand canonical Monte Carlo models are applied to determine the degree of hydrogen segregation. In order to understand the boundary structure and segregation behaviour of hydrogen, the structural unit description of inclined twin grain boundaries is found to provide insight into explaining the observed variation of excess enthalpy and excess hydrogen concentration on inclination angle, but the explanatory power is limited by how the enthalpy of segregation is affected by hydrogen concentration. At higher concentrations, the grain boundaries undergo a defaceting transition. In order to develop a more complete mesoscale model of the interfacial behaviour, an analytical model of boundary energy and hydrogen segregation that relies on modelling the boundary as arrays of discrete 1/3 < 1 1 1 > disconnections is constructed. Lastly, the complex interaction of boundary reconstruction and concentration-dependent segregation behaviour exhibited by inclined twin grain boundaries limits the range of applicability of such an analytical model and illustrates the fundamental limitations for a structural unit model description of segregation in lower stacking fault energy materials.« less

A functional–structural model for radiata pine (Pinus radiata) focusing on tree architecture and wood quality

PubMed Central

Fernández, M. Paulina; Norero, Aldo; Vera, Jorge R.; Pérez, Eduardo

2011-01-01

Backgrounds and Aims Functional–structural models are interesting tools to relate environmental and management conditions with forest growth. Their three-dimensional images can reveal important characteristics of wood used for industrial products. Like virtual laboratories, they can be used to evaluate relationships among species, sites and management, and to support silvicultural design and decision processes. Our aim was to develop a functional–structural model for radiata pine (Pinus radiata) given its economic importance in many countries. Methods The plant model uses the L-system language. The structure of the model is based on operational units, which obey particular rules, and execute photosynthesis, respiration and morphogenesis, according to their particular characteristics. Plant allometry is adhered to so that harmonic growth and plant development are achieved. Environmental signals for morphogenesis are used. Dynamic turnover guides the normal evolution of the tree. Monthly steps allow for detailed information of wood characteristics. The model is independent of traditional forest inventory relationships and is conceived as a mechanistic model. For model parameterization, three databases which generated new information relating to P. radiata were analysed and incorporated. Key Results Simulations under different and contrasting environmental and management conditions were run and statistically tested. The model was validated against forest inventory data for the same sites and times and against true crown architectural data. The performance of the model for 6-year-old trees was encouraging. Total height, diameter and lengths of growth units were adequately estimated. Branch diameters were slightly overestimated. Wood density values were not satisfactory, but the cyclical pattern and increase of growth rings were reasonably well modelled. Conclusions The model was able to reproduce the development and growth of the species based on mechanistic formulations. It may be valuable in assessing stand behaviour under different environmental and management conditions, assisting in decision-making with regard to management, and as a research tool to formulate hypothesis regarding forest tree growth and development. PMID:21987452

Superficial Macromolecular Arrays on the Cell Wall of Spirillum putridiconchylium

PubMed Central

Beveridge, T. J.; Murray, R. G. E.

1974-01-01

Electron microscopy of the cell envelope of Spirillum putridiconchylium, using negatively stained, thin-sectioned, and replicated freeze-etched preparations, showed two superficial wall layers forming a complex macromolecular pattern on the external surface. The outer structured layer was a linear array of particles overlying an inner tetragonal array of larger subunits. They were associated in a very regular fashion, and the complex was bonded to the outer, pitted surface of the lipopolysaccharide tripartite layer of the cell wall. The relationship of the components of the two structured layers was resolved with the aid of optical diffraction, combined with image filtering and reconstruction and linear and rotary integration techniques. The outer structural layer consisted of spherical 1.5-nm units set in double lines determined by the size and arrangement of 6- by 3-nm inner structural layer subunits, which bore one outer structural layer unit on each outer corner. The total effect of this arrangement was a double-ridged linear structure that was evident in surface replicas and negatively stained fragments of the whole wall. The packing of these units was not square but skewed by 2° off the perpendicular so that the “unit array” described by optical diffraction and linear integration appeared to be a deformed tetragon. The verity of the model was checked by using a photographically reduced image to produce an optical diffraction pattern for comparison with that of the actual layers. The correspondence was nearly perfect. Images PMID:4137219

[Morphogenetic lability of reproductive structures in Ruppia maritima (Ruppiaceae, Alismatales): from two lateral flowers to a terminal flower].

PubMed

Lokk, I É; Sokolov, D D; Remizova, M V

2011-01-01

Flowers of Ruppia are normally arranged into an open two-flowered spike, but sometimes the two lateral flowers are congenitally united with each other and form a terminal flower-like structure. This developmental abnormality resembles those described in well-investigated mutants of model organisms of developmental genetics such as Arabidopsis Antirrhinum. A study of Ruppia allows investigating morphogenetic lability of this feature in natural populations. These data will be important for understanding evolutionary transitions between open and closed inflorescences. This paper presents first data on frequencies ofterminal flower-like structures in natural populations of Ruppia maritima and first observations of their development. Vascular supply of inflorescences with free and united flowers is compared for the first time. Strong differences in frequencies of occurrence of terminal flower-like structures among examined natural populations are revealed. Data on variation of organ numbers in flowers of plants from different populations allow hypothesizing that increased size of floral primordia is a factor that plays a role in their amalgamation into ajoint primordium of a terminal structure. Vascular system of inflorescences of R. maritima with united flowers is quite similar to the vascular system of a flower and nothing contradicts a hypothesis on terminal position ofthis structure. Transversally inserted stamens in inflorescences with united flowers are usually of inverted polarity. This appears to be the first documented example of an inversion of relative polarity of stamens and carpels in angiosperms.

A fragmentation and reassembly method for ab initio phasing.

PubMed

Shrestha, Rojan; Zhang, Kam Y J

2015-02-01

Ab initio phasing with de novo models has become a viable approach for structural solution from protein crystallographic diffraction data. This approach takes advantage of the known protein sequence information, predicts de novo models and uses them for structure determination by molecular replacement. However, even the current state-of-the-art de novo modelling method has a limit as to the accuracy of the model predicted, which is sometimes insufficient to be used as a template for successful molecular replacement. A fragment-assembly phasing method has been developed that starts from an ensemble of low-accuracy de novo models, disassembles them into fragments, places them independently in the crystallographic unit cell by molecular replacement and then reassembles them into a whole structure that can provide sufficient phase information to enable complete structure determination by automated model building. Tests on ten protein targets showed that the method could solve structures for eight of these targets, although the predicted de novo models cannot be used as templates for successful molecular replacement since the best model for each target is on average more than 4.0 Å away from the native structure. The method has extended the applicability of the ab initio phasing by de novo models approach. The method can be used to solve structures when the best de novo models are still of low accuracy.

Assessment of Molecular Modeling & Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2002-01-03

This report reviews the development and applications of molecular and materials modeling in Europe and Japan in comparison to those in the United States. Topics covered include computational quantum chemistry, molecular simulations by molecular dynamics and Monte Carlo methods, mesoscale modeling of material domains, molecular-structure/macroscale property correlations like QSARs and QSPRs, and related information technologies like informatics and special-purpose molecular-modeling computers. The panel's findings include the following: The United States leads this field in many scientific areas. However, Canada has particular strengths in DFT methods and homogeneous catalysis; Europe in heterogeneous catalysis, mesoscale, and materials modeling; and Japan in materialsmore » modeling and special-purpose computing. Major government-industry initiatives are underway in Europe and Japan, notably in multi-scale materials modeling and in development of chemistry-capable ab-initio molecular dynamics codes.« less

Identification, display, and use of symmetry elements in atomic and electronic structure models.

PubMed

Khosrovani, N; Kung, P W; Freeman, C M; Gorman, A M; Kölmel, C M; Levine, S M; Newsam, J M

1999-01-01

Crystallographic symmetry plays an important role in structure determination from diffraction or scattering data, in spectroscopy and in simulations. It is convenient and insightful to integrate the display and use of such symmetry data with data analysis and modeling methods. We outline the integration of a suite of crystallographic algorithms, closely coupled with interactive graphical displays. These include techniques for identifying the unit cell of a solid, for automatically determining space and point group symmetries, for generalized displays of symmetry elements overlaid on structural models, and for construction, editing, and transformation of models subject to symmetry constraints. In addition, electron densities derived from periodic density functional calculations can be symmetrized and displayed with the corresponding symmetry elements. Applications of these various capabilities in crystallographic research are illustrated by topical examples.

Forward modeling of gravity data using geostatistically generated subsurface density variations

USGS Publications Warehouse

Phelps, Geoffrey

2016-01-01

Using geostatistical models of density variations in the subsurface, constrained by geologic data, forward models of gravity anomalies can be generated by discretizing the subsurface and calculating the cumulative effect of each cell (pixel). The results of such stochastically generated forward gravity anomalies can be compared with the observed gravity anomalies to find density models that match the observed data. These models have an advantage over forward gravity anomalies generated using polygonal bodies of homogeneous density because generating numerous realizations explores a larger region of the solution space. The stochastic modeling can be thought of as dividing the forward model into two components: that due to the shape of each geologic unit and that due to the heterogeneous distribution of density within each geologic unit. The modeling demonstrates that the internally heterogeneous distribution of density within each geologic unit can contribute significantly to the resulting calculated forward gravity anomaly. Furthermore, the stochastic models match observed statistical properties of geologic units, the solution space is more broadly explored by producing a suite of successful models, and the likelihood of a particular conceptual geologic model can be compared. The Vaca Fault near Travis Air Force Base, California, can be successfully modeled as a normal or strike-slip fault, with the normal fault model being slightly more probable. It can also be modeled as a reverse fault, although this structural geologic configuration is highly unlikely given the realizations we explored.

How do bendy straws bend? A study of re-configurability of multi-stable corrugated shells

NASA Astrophysics Data System (ADS)

Bende, Nakul; Selden, Sarah; Evans, Arthur; Santangelo, Christian; Hayward, Ryan

Shape programmable systems have evolved to allow for reconfiguration of structures through a variety of mechanisms including swelling, stress-relaxation, and thermal expansion. Particularly, there has been a recent interest in systems that exhibit bi-stability or multi-stability to achieve transformation between two or more pre-programmed states. Here, we study the ubiquitous architecture of corrugated shells, such as drinking straws or bellows, which has been well known for centuries. Some of these structures exhibit almost continuous stability amongst a wide range of reconfigurable shapes, but the underlying mechanisms are not well understood. To understand multi-stability in `bendy-straw' structures, we study the unit bi-conical segment using experiments and finite element modeling to elucidate the key geometrical and mechanical factors responsible for its multi-stability. The simple transformations of a unit segment - a change in length or angle can impart complex re-configurability of a structure containing many of these units. The fundamental understanding provided of this simple multi-stable building block could yield improvements in shape re-configurability for a wide array of applications such as corrugated medical tubing, robotics, and deployable structures. NSF EFRI ODISSEI-1240441.

Comparative analysis of a jack-up drilling unit with different leg systems

NASA Astrophysics Data System (ADS)

Ren, Xiangang; Bai, Yong; Jia, Lusheng

2012-09-01

The jack-up unit is one of the best drilling platforms in offshore oil fields with water depth shallower than 150 meters. As the most pivotal component of the jack-up unit, the leg system can directly affect the global performance of a jack-up unit. Investigation shows that there are three kinds of leg structure forms in the world now: the reverse K, X, and mixing types. In order to clarify the advantage and defects of each one, as well as their effect on the global performance of the jack-up unit, this paper commenced to study performance targets of a deepwater jack-up unit with different leg systems (X type, reverse K type, and mixing type). In this paper a typical leg scantling dimension and identical external loads were selected, detailed finite element snalysis (FEA) models were built to simulate the jack-up unit's structural behavior, and the multi-point constraint (MPC) element together with the spring element was used to deal with the boundary condition. Finally, the above problems were solved by comparative analysis of their main performance targets (including ultimate static strength, dynamic response, and weight).

Anatomy of an Active Seismic Source: the Interplay between Present-Day Seismic Activity and Inherited Fault Zone Architecture (Central Apennines, Italy)

NASA Astrophysics Data System (ADS)

Fondriest, M.; Demurtas, M.; Bistacchi, A.; Fabrizio, B.; Storti, F.; Valoroso, L.; Di Toro, G.

2017-12-01

The mechanics and seismogenic behaviour of fault zones are strongly influenced by their internal structure, in terms of both fault geometry and fault rock constitutive properties. In recent years high-resolution seismological techniques yielded new constraints on the geometry and velocity structure of seismogenic faults down to 10s meters length scales. This reduced the gap between geophysical imaging of active seismic sources and field observations of exhumed fault zones. Nevertheless fundamental questions such as the origin of geometrical and kinematic complexities associated to seismic faulting remain open. We addressed these topics by characterizing the internal structure of the Vado di Corno Fault Zone, an active seismogenic normal fault cutting carbonates in the Central Apennines of Italy and comparing it with the present-day seismicity of the area. The fault footwall block, which was exhumed from < 2 km depth, was mapped with high detail (< 1 m spatial resolution) for 2 km of exposure along strike, combining field structural data and photogrammetric surveys in a three dimensional structural model. Three main structural units separated by principal fault strands were recognized: (i) cataclastic unit (20-100 m thick), (ii) damage zone (≤ 300 m thick), (iii) breccia unit ( 20 thick). The cataclastic unit lines the master fault and represents the core of the normal fault zone. In-situ shattering together with evidence of extreme (possibly coseismic) shear strain localization (e.g., mirror-like faults with truncated clasts, ultrafine-grained sheared veins) was recognized. The breccia unit is an inherited thrust zone affected by pervasive veining and secondary dolomitization. It strikes subparallel to the active normal fault and is characterized by a non-cylindrical geometry with 10-100 m long frontal and lateral ramps. The cataclastic unit cuts through thrust flats within the breccia unit, whereas normal to oblique inversion occur on frontal and lateral ramps. A comparable structural setting was imaged South-West of the study area, during the 2009 L'Aquila seismic sequence. Here at 2 km depth, the master normal fault cross-cuts a 10 km long flat structure and clear lateral ramps are illuminated, suggesting the superposition of normal seismic faulting on inherited compressional structures.

Structure modeling and manufacturing PCFs for the range of 2-25 μm

NASA Astrophysics Data System (ADS)

Lvov, Alexandr; Salimgareev, Dmitrii; Korsakov, Michail; Korsakov, Alexandr; Zhukova, Liya

2017-11-01

Photostable and flexible materials transparent at the wide spectral range are necessary for the development of optical fiber units. Solid solutions of silver and monadic thallium halides are the most suitable crystal media for this purpose. The goal of our research was the search of optimum structure for the fibers with a single mode operation and a rather large core diameter. We modelled fiber structures (solid-core, hollow-core, active-core PCF) with various ratio of inserts diameters and increments between the inserts, basing on two crystal systems: AgCl-AgBr and AgBr-TlI. Then we chose the single mode fiber structure and manufactured it by means of extrusion.

The combination of circle topology and leaky integrator neurons remarkably improves the performance of echo state network on time series prediction.

PubMed

Xue, Fangzheng; Li, Qian; Li, Xiumin

2017-01-01

Recently, echo state network (ESN) has attracted a great deal of attention due to its high accuracy and efficient learning performance. Compared with the traditional random structure and classical sigmoid units, simple circle topology and leaky integrator neurons have more advantages on reservoir computing of ESN. In this paper, we propose a new model of ESN with both circle reservoir structure and leaky integrator units. By comparing the prediction capability on Mackey-Glass chaotic time series of four ESN models: classical ESN, circle ESN, traditional leaky integrator ESN, circle leaky integrator ESN, we find that our circle leaky integrator ESN shows significantly better performance than other ESNs with roughly 2 orders of magnitude reduction of the predictive error. Moreover, this model has stronger ability to approximate nonlinear dynamics and resist noise than conventional ESN and ESN with only simple circle structure or leaky integrator neurons. Our results show that the combination of circle topology and leaky integrator neurons can remarkably increase dynamical diversity and meanwhile decrease the correlation of reservoir states, which contribute to the significant improvement of computational performance of Echo state network on time series prediction.

Computer simulations of a liquid crystalline dendrimer in liquid crystalline solvents

NASA Astrophysics Data System (ADS)

Wilson, Mark R.; Ilnytskyi, Jaroslav M.; Stimson, Lorna M.

2003-08-01

Molecular dynamics simulations have been carried out to study the structure of a model liquid crystalline dendrimer (LCDr) in solution. A simplified model is used for a third generation carbosilane LCDr in which united atom Lennard-Jones sites are used to represent all heavy atoms in the dendrimer with the exception of the terminal mesogenic groups, which are represented by Gay-Berne potentials. The model dendrimer is immersed in a mesogenic solvent composed of Gay-Berne particles, which can form nematic and smectic-A phases in addition to the isotropic liquid. Markedly different behavior results from simulations in the different phases, with the dendrimer changing shape from spherical to rodlike in moving from isotropic to nematic solvents. In the smectic-A phase the terminal mesogenic units are able to occupy five separate smectic layers. The change in structure of the dendrimer is mediated by conformational changes in the flexible chains, which link the terminal mesogenic moieties to the dendrimer core.

Oxide surfaces in practical and model catalytic systems

NASA Astrophysics Data System (ADS)

Lanier, Courtney H.

Oxide surface structures play a key role in many technological processes, including catalysis, thin film growth, and layered structures, and a thorough understanding of surface structures and surface structure dynamics is required in order to better engineer materials systems for these processes. This research works towards understanding these fundamental principles through an investigation of practical and model catalytic systems. In this work, the surface structures and dynamics of Mg3(VO4)2, LaAlO3, SrTiO3, and alpha-Fe2O3/Fe3O 4 are investigated under a variety of conditions and by a range of experimental and computational techniques. The structure and morphology of LaAlO3 has been investigated over a range of annealing temperatures, and the ( 5x5 )R26.6° reconstruction of LaAlO3 (001) has been determined using transmission electron diffraction combined with direct methods. The structure is relatively simple, consisting of a lanthanum oxide termination with one lanthanum cation vacancy per surface unit cell. The electronic structure is unusual since a fractional number of holes or atomic occupancies per surface unit cell are required to achieve charge neutrality. The reconstruction can be understood in terms of expulsion of the more electropositive cation from the surface followed by an increased covalency between the remaining surface lanthanum atoms and adjacent oxygen atoms. The c(6x2) is a reconstruction of the SrTiO3 (001) surface that is formed between 1050-1100°C in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results from transmission electron diffraction, surface x-ray diffraction, direct methods analysis, computational combinational screening, and density functional theory. As it is formed at high temperatures, the surface is complex and can be described as a short-range ordered phase featuring microscopic domains composed of four main structural motifs. Additionally, non-periodic TiO2 units are present on the surface. The surface and bulk of oriented single crystal Mg3(VO 4)2 have been characterized after treatment in a reducing environment. Annealing in a flow of 7% H2 in N2 causes the reduction of Mg3(VO4)2 to Mg3V 2O6, which is shown to be single-crystal to single-crystal and occurs in such a way that the oxygen framework of the crystal is preserved. Transmission electron microscopy images of crystals at the early stages of reduction show low angle grain boundaries and the formation of channels approximately 50nm in diameter. A model for reduction of Mg3(VO4) 2 to Mg3V2O6 based on the experimental observations and derived from classic nucleation theory is proposed. The so-called Biphase structure on alpha-Fe2O3 has been previously reported and described as islands of Fe1-xO and alpha-Fe2O3 arranged in a 40A periodic unit cell. Based on thermodynamic arguments and experimental evidence, including transmission electron diffraction, we find that the previous structure model was incorrect. Rather, it is found that the Biphase structure is, in fact, related to the reduction of alpha-Fe2O3 to Fe 3O4, is a layered structure, and does not contain islands of Fe1-xO. A model for the Biphase termination consisting of bulk alpha-Fe 2O3 with an Fe3O4 -derived overlayer is developed and is consistent with all current and previously reported experimental findings.

Effects of Educational Productivity on Career Aspiration among United States High School Students.

ERIC Educational Resources Information Center

Wang, Jianjun; Ma, Xin

2001-01-01

Using structural equation modeling and data on 10th-grade students from the Longitudinal Study of American Youth, a model was developed to show the relationship to career aspiration of eight indicators of "educational productivity": mathematics achievement; motivation; instructional quantity and quality; home, class, and peer environment; and mass…

Dynamic Behavior of Engineered Lattice Materials

PubMed Central

Hawreliak, J. A.; Lind, J.; Maddox, B.; Barham, M.; Messner, M.; Barton, N.; Jensen, B. J.; Kumar, M.

2016-01-01

Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations. PMID:27321697

The sociology of health in the United States: recent theoretical contributions.

PubMed

Cockerham, William C

2014-04-01

This paper examines recent trends in theory in health sociology in the United States and finds that the use of theory is flourishing. The central thesis is that the field has reached a mature state and is in the early stage of a paradigm shift away from a past focus on methodological individualism (in which the individual is the primary unit of analysis) toward a growing utilization of theories with a structural orientation This outcome is materially aided by research methods (e.g. hierarchal linear modeling, biomarkers) providing measures of structural effects on the health of the individual that were often absent or underdeveloped in the past. Structure needs to be accounted for in any social endeavor and contemporary medical sociology appears to be doing precisely that as part of the next stage of its evolution. The recent contributions to theory in the sociology of health discussed in this paper are fundamental cause, medicalization, social capital, neighborhood disadvantage, and health lifestyle theories.

A Simple and Accurate Analysis of Conductivity Loss in Millimeter-Wave Helical Slow-Wave Structures

NASA Astrophysics Data System (ADS)

Datta, S. K.; Kumar, Lalit; Basu, B. N.

2009-04-01

Electromagnetic field analysis of a helix slow-wave structure was carried out and a closed form expression was derived for the inductance per unit length of the transmission-line equivalent circuit of the structure, taking into account the actual helix tape dimensions and surface current on the helix over the actual metallic area of the tape. The expression of the inductance per unit length, thus obtained, was used for estimating the increment in the inductance per unit length caused due to penetration of the magnetic flux into the conducting surfaces following Wheeler’s incremental inductance rule, which was subsequently interpreted for the attenuation constant of the propagating structure. The analysis was computationally simple and accurate, and accrues the accuracy of 3D electromagnetic analysis by allowing the use of dispersion characteristics obtainable from any standard electromagnetic modeling. The approach was benchmarked against measurement for two practical structures, and excellent agreement was observed. The analysis was subsequently applied to demonstrate the effects of conductivity on the attenuation constant of a typical broadband millimeter-wave helical slow-wave structure with respect to helix materials and copper plating on the helix, surface finish of the helix, dielectric loading effect and effect of high temperature operation - a comparative study of various such aspects are covered.

Computationally efficient models of neuromuscular recruitment and mechanics.

PubMed

Song, D; Raphael, G; Lan, N; Loeb, G E

2008-06-01

We have improved the stability and computational efficiency of a physiologically realistic, virtual muscle (VM 3.*) model (Cheng et al 2000 J. Neurosci. Methods 101 117-30) by a simpler structure of lumped fiber types and a novel recruitment algorithm. In the new version (VM 4.0), the mathematical equations are reformulated into state-space representation and structured into a CMEX S-function in SIMULINK. A continuous recruitment scheme approximates the discrete recruitment of slow and fast motor units under physiological conditions. This makes it possible to predict force output during smooth recruitment and derecruitment without having to simulate explicitly a large number of independently recruited units. We removed the intermediate state variable, effective length (Leff), which had been introduced to model the delayed length dependency of the activation-frequency relationship, but which had little effect and could introduce instability under physiological conditions of use. Both of these changes greatly reduce the number of state variables with little loss of accuracy compared to the original VM. The performance of VM 4.0 was validated by comparison with VM 3.1.5 for both single-muscle force production and a multi-joint task. The improved VM 4.0 model is more suitable for the analysis of neural control of movements and for design of prosthetic systems to restore lost or impaired motor functions. VM 4.0 is available via the internet and includes options to use the original VM model, which remains useful for detailed simulations of single motor unit behavior.

Computationally efficient models of neuromuscular recruitment and mechanics

NASA Astrophysics Data System (ADS)

Song, D.; Raphael, G.; Lan, N.; Loeb, G. E.

2008-06-01

We have improved the stability and computational efficiency of a physiologically realistic, virtual muscle (VM 3.*) model (Cheng et al 2000 J. Neurosci. Methods 101 117-30) by a simpler structure of lumped fiber types and a novel recruitment algorithm. In the new version (VM 4.0), the mathematical equations are reformulated into state-space representation and structured into a CMEX S-function in SIMULINK. A continuous recruitment scheme approximates the discrete recruitment of slow and fast motor units under physiological conditions. This makes it possible to predict force output during smooth recruitment and derecruitment without having to simulate explicitly a large number of independently recruited units. We removed the intermediate state variable, effective length (Leff), which had been introduced to model the delayed length dependency of the activation-frequency relationship, but which had little effect and could introduce instability under physiological conditions of use. Both of these changes greatly reduce the number of state variables with little loss of accuracy compared to the original VM. The performance of VM 4.0 was validated by comparison with VM 3.1.5 for both single-muscle force production and a multi-joint task. The improved VM 4.0 model is more suitable for the analysis of neural control of movements and for design of prosthetic systems to restore lost or impaired motor functions. VM 4.0 is available via the internet and includes options to use the original VM model, which remains useful for detailed simulations of single motor unit behavior.

TOWARD A CONTINGENCY MODEL FOR HOSPITAL-BASED HEALTH TECHNOLOGY ASSESSMENT: EVIDENCE FROM ADHOPHTA PROJECT.

PubMed

Cicchetti, Americo; Iacopino, Valentina; Coretti, Silvia; Fiore, Alessandra; Marchetti, Marco; Sampietro-Colom, Laura; Kidholm, Kristian; Wasserfallen, Jean-Blaise; Kahveci, Rabia; Halmesmäki, Esa; Rosenmöller, Magdalene; Wild, Claudia; Kivet, Raul-Allan

2018-01-01

Hospital-based health technology assessment (HB-HTA) is becoming increasingly relevant because of its role in managing the introduction and withdrawal of health technologies. The organizational arrangement in which HB-HTA activities are conducted depends on several contextual factors, although the dominant models have several similarities. The aims of this study were to explore, describe, interpret, and explain seven cases of the application of HB-HTA logic and to propose a classification for HB-HTA organizational models which may be beneficial for policy makers and HTA professionals. The study was part of the AdHopHTA Project, granted under the European 7th Framework Research Programme. A case study methodology was applied to analyze seven HB-HTA initiatives in seven countries, with collection of qualitative and quantitative data. Cross-case analysis was performed within the framework of contingent organizational theory. Evidence showed that some organizational or "structural" variables, namely the level of procedure formalization/structuration and the level of integration with other HTA bodies at the national, regional, and provincial levels, predominantly shape the HB-HTA approach, determining a contingency model of HB-HTA. Crossing the two variables, four options have emerged: integrated specialized HTA unit, stand-alone HTA unit, integrated-essential HTA, independent group unit. No one-best-way approach can be used for HTA at the hospital level. Rather, the characteristics of HTA models depend on many contextual factors. Such conceptualization may aid the diffusion of HB-HTA to inform managerial decision making and clinical practice.

Proposal for Creating a Pocket of Innovation & Adaptability within a Bureaucratic Enterprise

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, Todd Travis; Millet, C. D.

2001-07-01

A conceptual framework is developed that is based on a behavioral model for organizations that rely upon innovation and adaptability for their survival in the market place. The model supports the assertion that change efforts aimed at performance improvement need a systems approach because contributions to an organization's performance cross functional lines and are systemic in nature. The model implies four conclusions for a unit trying to effectuate change within a greater bureaucracy. First, the desired behaviors are currently neither evaluated nor rewarded enough by either the enterprise or the local unit. Second, the model has to be applied tomore » the local unit, treating the unit as a distinct enterprise itself. Third, a misalignment between the unit's new form and that of the rest of the enterprise will invariably be created. Fourth, this misalignment has to be minimized enough by the local unit to avoid the larger enterprise from responding negatively to the change effort. The model results in a change approach that constrains localized behavior modification by the need to remain aligned with the overall structure of the complete enterprise. The conceptual framework is used to develop a proposal for effectuating behavioral change within the High-Level Waste (HLW) Program at the Idaho National Engineering and Environmental Laboratory (INEEL). A "strawman" involving a set of critical systems, performance and evaluation measures, and tactics is presented as a starting point for further discussion and development within the Program organization.« less

Rail inspection system based on iGPS

NASA Astrophysics Data System (ADS)

Fu, Xiaoyan; Wang, Mulan; Wen, Xiuping

2018-05-01

Track parameters include gauge, super elevation, cross level and so on, which could be calculated through the three-dimensional coordinates of the track. The rail inspection system based on iGPS (indoor/infrared GPS) was composed of base station, receiver, rail inspection frame, wireless communication unit, display and control unit and data processing unit. With the continuous movement of the inspection frame, the system could accurately inspect the coordinates of rail; realize the intelligent detection and precision measurement. According to principle of angle intersection measurement, the inspection model was structured, and detection process was given.

A Consistent Wave Impact Load Model for Studying Structure, Equipment Ruggedness, Shock Isolation Seats, and Human Comfort in Small High Speed Craft

DTIC Science & Technology

2016-11-01

acceleration at a cross-section was used as a measure of the wave impact load in units of g. Later developments included publication of the envelope...Republic, 4 – 7 October 2004. PICKFORD, E.V., MAHONE, R.R., WOLK, H.L. (1975). Slam/Shock Isolation Pedestal, United States Patent Number, 3,912,248, 14...accelerations. The rigid body peak acceleration is a measure of the impact load in units of g. In the following plots the data corresponds to head-sea

Hydraulic characterization of volcanic rocks in Pahute Mesa using an integrated analysis of 16 multiple-well aquifer tests, Nevada National Security Site, 2009–14

USGS Publications Warehouse

Garcia, C. Amanda; Jackson, Tracie R.; Halford, Keith J.; Sweetkind, Donald S.; Damar, Nancy A.; Fenelon, Joseph M.; Reiner, Steven R.

2017-01-20

An improved understanding of groundwater flow and radionuclide migration downgradient from underground nuclear-testing areas at Pahute Mesa, Nevada National Security Site, requires accurate subsurface hydraulic characterization. To improve conceptual models of flow and transport in the complex hydrogeologic system beneath Pahute Mesa, the U.S. Geological Survey characterized bulk hydraulic properties of volcanic rocks using an integrated analysis of 16 multiple-well aquifer tests. Single-well aquifer-test analyses provided transmissivity estimates at pumped wells. Transmissivity estimates ranged from less than 1 to about 100,000 square feet per day in Pahute Mesa and the vicinity. Drawdown from multiple-well aquifer testing was estimated and distinguished from natural fluctuations in more than 200 pumping and observation wells using analytical water-level models. Drawdown was detected at distances greater than 3 miles from pumping wells and propagated across hydrostratigraphic units and major structures, indicating that neither faults nor structural blocks noticeably impede or divert groundwater flow in the study area.Consistent hydraulic properties were estimated by simultaneously interpreting drawdown from the 16 multiple-well aquifer tests with an integrated groundwater-flow model composed of 11 well-site models—1 for each aquifer test site. Hydraulic properties were distributed across volcanic rocks with the Phase II Pahute Mesa-Oasis Valley Hydrostratigraphic Framework Model. Estimated hydraulic-conductivity distributions spanned more than two orders of magnitude in hydrostratigraphic units. Overlapping hydraulic conductivity ranges among units indicated that most Phase II Hydrostratigraphic Framework Model units were not hydraulically distinct. Simulated total transmissivity ranged from 1,600 to 68,000 square feet per day for all pumping wells analyzed. High-transmissivity zones exceeding 10,000 square feet per day exist near caldera margins and extend along the northern and eastern Pahute Mesa study area and near the southwestern edge of the study area. The estimated hydraulic-property distributions and observed hydraulic connections among geologic structures improved the characterization and representation of groundwater flow at Pahute Mesa.

Planning responds to gender violence: evidence from Spain, Mexico and the United States.

PubMed

Sweet, Elizabeth L; Escalante, Sara Ortiz

2010-01-01

Urban planning has been largely ineffective in addressing urban violence and particularly slow in responding to gender violence. This paper explores the public and private divide, structural inequalities, and issues of ethnicity and citizenship, in terms of their planning implications for gender violence. Drawing on evidence from Spain, Mexico and the United States, it examines how economic and social planning and gender violence intertwine. The three case studies demonstrate that the challenge is not only to break constructed structural inequalities and divisions between public and private spheres, but also to promote changes in the working models of institutions and organisations.

Investigation of acoustic metasurfaces with constituent material properties considered

NASA Astrophysics Data System (ADS)

Gerard, Nikhil JRK; Li, Yong; Jing, Yun

2018-03-01

This paper examines the transmission behavior of two acoustic metasurfaces and their constituent structural units while including the various material properties that could affect their functionality. The unit cells and the metasurfaces are modeled numerically, and the impact of the structural interaction and thermoviscosity on sound transmission and phase modulation is studied. Each of these effects is viewed individually in order to better understand their influence. Various cases are presented, and the change in the behavior of the metasurfaces is investigated. The deviations from the ideal desired results are examined and highlighted to show that it is important to incorporate these effects to better predict the behavior of acoustic metasurfaces.

A mixed model for the relationship between climate and human cranial form.

PubMed

Katz, David C; Grote, Mark N; Weaver, Timothy D

2016-08-01

We expand upon a multivariate mixed model from quantitative genetics in order to estimate the magnitude of climate effects in a global sample of recent human crania. In humans, genetic distances are correlated with distances based on cranial form, suggesting that population structure influences both genetic and quantitative trait variation. Studies controlling for this structure have demonstrated significant underlying associations of cranial distances with ecological distances derived from climate variables. However, to assess the biological importance of an ecological predictor, estimates of effect size and uncertainty in the original units of measurement are clearly preferable to significance claims based on units of distance. Unfortunately, the magnitudes of ecological effects are difficult to obtain with distance-based methods, while models that produce estimates of effect size generally do not scale to high-dimensional data like cranial shape and form. Using recent innovations that extend quantitative genetics mixed models to highly multivariate observations, we estimate morphological effects associated with a climate predictor for a subset of the Howells craniometric dataset. Several measurements, particularly those associated with cranial vault breadth, show a substantial linear association with climate, and the multivariate model incorporating a climate predictor is preferred in model comparison. Previous studies demonstrated the existence of a relationship between climate and cranial form. The mixed model quantifies this relationship concretely. Evolutionary questions that require population structure and phylogeny to be disentangled from potential drivers of selection may be particularly well addressed by mixed models. Am J Phys Anthropol 160:593-603, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

The Barley Phytomer

PubMed Central

Forster, Brian P.; Franckowiak, Jerome D.; Lundqvist, Udda; Lyon, Jackie; Pitkethly, Ian; Thomas, William T. B.

2007-01-01

Background and Aims Morphological mutants have been useful in elucidating the phytomeric structure of plants. Recently described mutants have shed new light on the ontogeny (development of plant structures) and the phytomeric system of barley (Hordeum vulgare). Since the current model for barley phytomers was not adequate to explain the nature of some mutants, a new model is proposed. Methods New phytomer mutants were detected by visual assessment of mutant families in the Optic barley mutation grid population. This was done at various growth stages using laboratory, glasshouse and field screens. Simple explanations were adopted to account for aberrant phytomer phenotypes and a thesis for a new phytomer model was developed. Key Results and Conclusions A barley phytomer model is presented, in which the origins of vegetative and generative structures can be explained by a single repeating phytomer unit. Organs on the barley plant are divided into two classes, single or paired, depending on their origin. Paired structures are often fused together to create specific organs. The model can be applied to wheat (Triticum aestivum) and related grasses. PMID:17901062

Geometric dependence of the parasitic components and thermal properties of HEMTs

NASA Astrophysics Data System (ADS)

Vun, Peter V.; Parker, Anthony E.; Mahon, Simon J.; Fattorini, Anthony

2007-12-01

For integrated circuit design up to 50GHz and beyond accurate models of the transistor access structures and intrinsic structures are necessary for prediction of circuit performance. The circuit design process relies on optimising transistor geometry parameters such as unit gate width, number of gates, number of vias and gate-to-gate spacing. So the relationship between electrical and thermal parasitic components in transistor access structures, and transistor geometry is important to understand when developing models for transistors of differing geometries. Current approaches to describing the geometric dependence of models are limited to empirical methods which only describe a finite set of geometries and only include unit gate width and number of gates as variables. A better understanding of the geometric dependence is seen as a way to provide scalable models that remain accurate for continuous variation of all geometric parameters. Understanding the distribution of parasitic elements between the manifold, the terminal fingers, and the reference plane discontinuities is an issue identified as important in this regard. Examination of dc characteristics and thermal images indicates that gate-to-gate thermal coupling and increased thermal conductance at the gate ends, affects the device total thermal conductance. Consequently, a distributed thermal model is proposed which accounts for these effects. This work is seen as a starting point for developing comprehensive scalable models that will allow RF circuit designers to optimise circuit performance parameters such as total die area, maximum output power, power-added-efficiency (PAE) and channel temperature/lifetime.

Monoclinic deformation of calcite crystals at ambient conditions

NASA Astrophysics Data System (ADS)

Przeniosło, R.; Fabrykiewicz, P.; Sosnowska, I.

2016-09-01

High resolution synchrotron radiation powder diffraction shows that the average crystal structure of calcite at ambient conditions is described with the trigonal space group R 3 bar c but there is a systematic hkl-dependent Bragg peak broadening. A modelling of this anisotropic peak broadening with the microstrain model from Stephens (1999) [15] is presented. The observed lattice parameters' correlations can be described by assuming a monoclinic-type deformation of calcite crystallites. A quantitative model of this monoclinic deformation observed at ambient conditions is described with the space group C 2 / c . The monoclinic unit cell suggested at ambient conditions is related with the monoclinic unit cell reported in calcite at high pressure (Merrill and Bassett (1975) [10]).

The role of the Sheffield model on the minimum unit pricing of alcohol debate: the importance of a rhetorical perspective

PubMed Central

Katikireddi, Srinivasa Vittal; Hilton, Shona; Bond, Lyndal

2017-01-01

The minimum unit pricing (MUP) alcohol policy debate has been informed by the Sheffield model, a study which predicts impacts of different alcohol pricing policies. This paper explores the Sheffield model’s influences on the policy debate by drawing on 36 semi-structured interviews with policy actors who were involved in the policy debate. Although commissioned by policy makers, the model’s influence has been far broader than suggested by views of ‘rational’ policy making. While findings from the Sheffield model have been used in instrumental ways, they have arguably been more important in helping debate competing values underpinning policy goals. PMID:28111593

Missional Imaginations for Theological Education: Mixed Model, Exploratory, Action-Oriented Research Mapping the Theological Identity and Organizational Readiness for Change of Five Theological School Systems in the United States Originating after 1945

ERIC Educational Resources Information Center

Small, Kyle J. A.

2009-01-01

This dissertation explores the formal theologies and organizational readiness for change with a view towards adopting missional prototypes for theological education across a school's (system's) tradition, curriculum, and structure. The research assessed five theological schools in the United States through an exploratory, action-oriented,…

The increasing importance of small-scale forestry: evidence from family forest ownership patterns in the United States

Treesearch

Y. Zhang; X. Liao; B.J. Butler; J. Schelhas

2009-01-01

The state-level distribution of the size of family forest holdings in the contiguous United States was examined using data collected by the USDA Forest Service in 1993 and 2003. Regressions models were used to analyze the factors influencing the mean size and structural variation among states and between the two periods. Population density, percent of the population at...

Proceedings of the Workshop on Measurement and Analysis of Structural Response in Concrete Armor Units Held in Vicksburg, Mississippi on 23-24 January 1985

DTIC Science & Technology

1988-02-01

57 Summary--"Comments from Dr. Hans Burcharth" ............81 "Strength of Armour Blocks...335 APPENDICES........................................................ 387 A--"Strength of Concrete Armour Units for Breakwaters"’ --Delft...STAT!STICS DESIGN WAVE CLIMATE PRELIMINARY DESIGN CALCULATION OF ARMOUR STABILIY ETC MODEL TESTS OF PRELIMINARY DESIGN FINAL DESIGN Figure 1. Ideal

Modeling of Unit-Cells With Z-Pins Using FLASH: Pre-Processing and Post Processing

NASA Technical Reports Server (NTRS)

Krueger, Ronald

2005-01-01

Although the toughening properties of stitches, z-pins and similar structures have been studied extensively, investigations on the effect of z-pins on the in-plane properties of laminates are limited. A brief summary on the effect of z-pins on the in-plane tensile and compressive properties of composite laminates is presented together with a concise introduction into the finite element code FLASH. The remainder of the report illustrates the modeling aspect of unit cells with z-pins in FLASH and focuses on input and output data as well as post-processing of results.

Experimental shielding evaluation of the radiation protection provided by the structurally significant components of residential structures.

PubMed

Dickson, E D; Hamby, D M

2014-03-01

The human health and environmental effects following a postulated accidental release of radioactive material to the environment have been a public and regulatory concern since the early development of nuclear technology. These postulated releases have been researched extensively to better understand the potential risks for accident mitigation and emergency planning purposes. The objective of this investigation is to provide an updated technical basis for contemporary building shielding factors for the US housing stock. Building shielding factors quantify the protection from ionising radiation provided by a certain building type. Much of the current data used to determine the quality of shielding around nuclear facilities and urban environments is based on simplistic point-kernel calculations for 1950s era suburbia and is no longer applicable to the densely populated urban environments realised today. To analyse a building's radiation shielding properties, the ideal approach would be to subject a variety of building types to various radioactive sources and measure the radiation levels in and around the building. While this is not entirely practicable, this research analyses the shielding effectiveness of ten structurally significant US housing-stock models (walls and roofs) important for shielding against ionising radiation. The experimental data are used to benchmark computational models to calculate the shielding effectiveness of various building configurations under investigation from two types of realistic environmental source terms. Various combinations of these ten shielding models can be used to develop full-scale computational housing-unit models for building shielding factor calculations representing 69.6 million housing units (61.3%) in the United States. Results produced in this investigation provide a comparison between theory and experiment behind building shielding factor methodology.

Analysis of integrated photovoltaic-thermal systems using solar concentrators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yusoff, M.B.

1983-01-01

An integrated photovoltaic-thermal system using solar concentrators utilizes the solar radiation spectrum in the production of electrical and thermal energy. The electrical conversion efficiency of this system decreases with increasing solar cell temperature. Since a high operating temperature is desirable to maximize the quality of thermal output of the planned integrated system, a proper choice of the operating temperature for the unit cell is of vital importance. The analysis predicts performance characteristics of the unit cell by considering the dependence of the heat generation, the heat absorption and the heat transmission on the material properties of the unit cell structure.more » An analytical model has been developed to describe the heat transport phenomena occurring in the unit cell structure. The range of applicability of the one-dimensional and the two-dimensional models, which have closed-form solutions, has been demonstrated. Parametric and design studies point out the requirements for necessary good electrical and thermal performance. A procedure utilizing functional forms of component characteristics in the form of partial coefficients of the dependent variable has been developed to design and operate the integrated system to have a desirable value of the thermal to electrical output ratio both at design and operating modes.« less

Sorption, degradation and transport phenomena of alcohol ethoxysulfates in agricultural soils. Laboratory studies.

PubMed

Fernández-Ramos, C; Rodríguez-Gómez, R; Reis, M S; Zafra-Gómez, A; Verge, C; de Ferrer, J A; Pérez-Pascual, M; Vílchez, J L

2017-03-01

In the present work, laboratory studies were conducted in order to determine and model the sorption, degradation and transport processes of alcohol ethoxysulfates (AES), one of the most important groups of anionic surfactants. Adsorption/desorption isotherms were obtained for several structurally related AES ethoxymers (homologue AES-C 12 E n with n = 0-10 ethoxymer units and homologue AES-C 14 E n with n = 0-7 ethoxymer units) using a batch equilibrium method. Data were fitted to a linear and a Freundlich isotherm models. Additionally, experiments in continuous-flow soil columns were also carried out and the breakthrough curves observed for each compound were studied. Breakthrough curves were used to determine the fundamental parameters of the transport model (hydrodynamic dispersion coefficient, degradation rate constant and adsorption/desorption isotherm slope), that is the main phenomena that take place simultaneously when AES move through agricultural soil. When the results obtained for the AES ethoxymers are combined, they reveal a clear and consistent trend towards a sorption increase with the number of ethoxylated units and with the length of the alkyl chain that opens the possibility to estimate the values of the transport parameters for other structurally related ethoxymers. Copyright © 2016 Elsevier Ltd. All rights reserved.

Focusing on learning through constructive alignment with task-oriented portfolio assessment

NASA Astrophysics Data System (ADS)

Cain, A.; Grundy, J.; Woodward, C. J.

2018-07-01

Approaches to learning have been shown to have a significant impact on student success in technical units. This paper reports on an action research study that applied the principles of constructive alignment to improve student learning outcomes in programming units. The proposed model uses frequent formative feedback to engage students with unit material, and encourage them to adopt deep approaches to learning. Our results provide a set of guiding principles and a structured teaching approach that focuses students on meeting unit learning objectives, the goal of constructive alignment. The results are demonstrated via descriptions of the resulting teaching and learning environment, student results, and staff and student reflections.

United States Air Force Graduate Student Research Program. 1989 Program Technical Report. Volume 1

DTIC Science & Technology

1989-12-01

Analysis is required to supplement the experimental observations, which requires the formulation of a realistic model of the physical problem...RECOMMENDATION: a . From our point of view, the research team considere the NASTRAN model correct due to the vibrational frequencies, but we are still...structure of the program was understood, attempts were made to change the model from a thunderstorm simulation

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

FOSSIL2 energy policy model documentation: generic structures of the FOSSIL2 model

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1980-10-01

This report discusses the structure, derivations, assumptions, and mathematical formulation of the FOSSIL2 model. Each major facet of the model - supply/demand interactions, industry financing, and production - has been designed to parallel closely the actual cause/effect relationships determining the behavior of the United States energy system. The data base for the FOSSIL2 program is large. When possible, all data were obtained from sources well known to experts in the energy field. Cost and resource estimates are based on DOE data whenever possible. This report presents the FOSSIL2 model at several levels. In Volume I, an overview of the basicmore » structures, assumptions, and behavior of the FOSSIL2 model is presented so that the reader can understand the results of various policy tests. The discussion covers the three major building blocks, or generic structures, used to construct the model: supply/demand balance; finance and capital formation; and energy production. These structures reflect the components and interactions of the major processes within each energy industry that directly affect the dynamics of fuel supply, demand, and price within the energy system as a whole.« less

Nonlinear mathematical modeling and sensitivity analysis of hydraulic drive unit

NASA Astrophysics Data System (ADS)

Kong, Xiangdong; Yu, Bin; Quan, Lingxiao; Ba, Kaixian; Wu, Liujie

2015-09-01

The previous sensitivity analysis researches are not accurate enough and also have the limited reference value, because those mathematical models are relatively simple and the change of the load and the initial displacement changes of the piston are ignored, even experiment verification is not conducted. Therefore, in view of deficiencies above, a nonlinear mathematical model is established in this paper, including dynamic characteristics of servo valve, nonlinear characteristics of pressure-flow, initial displacement of servo cylinder piston and friction nonlinearity. The transfer function block diagram is built for the hydraulic drive unit closed loop position control, as well as the state equations. Through deriving the time-varying coefficient items matrix and time-varying free items matrix of sensitivity equations respectively, the expression of sensitivity equations based on the nonlinear mathematical model are obtained. According to structure parameters of hydraulic drive unit, working parameters, fluid transmission characteristics and measured friction-velocity curves, the simulation analysis of hydraulic drive unit is completed on the MATLAB/Simulink simulation platform with the displacement step 2 mm, 5 mm and 10 mm, respectively. The simulation results indicate that the developed nonlinear mathematical model is sufficient by comparing the characteristic curves of experimental step response and simulation step response under different constant load. Then, the sensitivity function time-history curves of seventeen parameters are obtained, basing on each state vector time-history curve of step response characteristic. The maximum value of displacement variation percentage and the sum of displacement variation absolute values in the sampling time are both taken as sensitivity indexes. The sensitivity indexes values above are calculated and shown visually in histograms under different working conditions, and change rules are analyzed. Then the sensitivity indexes values of four measurable parameters, such as supply pressure, proportional gain, initial position of servo cylinder piston and load force, are verified experimentally on test platform of hydraulic drive unit, and the experimental research shows that the sensitivity analysis results obtained through simulation are approximate to the test results. This research indicates each parameter sensitivity characteristics of hydraulic drive unit, the performance-affected main parameters and secondary parameters are got under different working conditions, which will provide the theoretical foundation for the control compensation and structure optimization of hydraulic drive unit.

Highly Complex Syllable Structure: A Typological Study of Its Phonological Characteristics and Diachronic Development

ERIC Educational Resources Information Center

Easterday, Shelece Michelle

2017-01-01

The syllable is a natural unit of organization in spoken language. Strong cross-linguistic tendencies in syllable size and shape are often explained in terms of a universal preference for the CV structure, a type which is also privileged in abstract models of the syllable. Syllable patterns such as those found in Itelmen "qsa?txt??"…

Integrating Model-Based Learning and Animations for Enhancing Students' Understanding of Proteins Structure and Function

ERIC Educational Resources Information Center

Barak, Miri; Hussein-Farraj, Rania

2013-01-01

This paper describes a study conducted in the context of chemistry education reforms in Israel. The study examined a new biochemistry learning unit that was developed to promote in-depth understanding of 3D structures and functions of proteins and nucleic acids. Our goal was to examine whether, and to what extent teaching and learning via…

Design and Testing of a Flexible Inclinometer Probe for Model Tests of Landslide Deep Displacement Measurement.

PubMed

Zhang, Yongquan; Tang, Huiming; Li, Changdong; Lu, Guiying; Cai, Yi; Zhang, Junrong; Tan, Fulin

2018-01-14

The physical model test of landslides is important for studying landslide structural damage, and parameter measurement is key in this process. To meet the measurement requirements for deep displacement in landslide physical models, an automatic flexible inclinometer probe with good coupling and large deformation capacity was designed. The flexible inclinometer probe consists of several gravity acceleration sensing units that are protected and positioned by silicon encapsulation, all the units are connected to a 485-comunication bus. By sensing the two-axis tilt angle, the direction and magnitude of the displacement for a measurement unit can be calculated, then the overall displacement is accumulated according to all units, integrated from bottom to top in turn. In the conversion from angle to displacement, two spline interpolation methods are introduced to correct and resample the data; one is to interpolate the displacement after conversion, and the other is to interpolate the angle before conversion; compared with the result read from checkered paper, the latter is proved to have a better effect, with an additional condition that the displacement curve move up half the length of the unit. The flexible inclinometer is verified with respect to its principle and arrangement by a laboratory physical model test, and the test results are highly consistent with the actual deformation of the landslide model.

Design and Testing of a Flexible Inclinometer Probe for Model Tests of Landslide Deep Displacement Measurement

PubMed Central

Zhang, Yongquan; Tang, Huiming; Li, Changdong; Lu, Guiying; Cai, Yi; Zhang, Junrong; Tan, Fulin

2018-01-01

The physical model test of landslides is important for studying landslide structural damage, and parameter measurement is key in this process. To meet the measurement requirements for deep displacement in landslide physical models, an automatic flexible inclinometer probe with good coupling and large deformation capacity was designed. The flexible inclinometer probe consists of several gravity acceleration sensing units that are protected and positioned by silicon encapsulation, all the units are connected to a 485-comunication bus. By sensing the two-axis tilt angle, the direction and magnitude of the displacement for a measurement unit can be calculated, then the overall displacement is accumulated according to all units, integrated from bottom to top in turn. In the conversion from angle to displacement, two spline interpolation methods are introduced to correct and resample the data; one is to interpolate the displacement after conversion, and the other is to interpolate the angle before conversion; compared with the result read from checkered paper, the latter is proved to have a better effect, with an additional condition that the displacement curve move up half the length of the unit. The flexible inclinometer is verified with respect to its principle and arrangement by a laboratory physical model test, and the test results are highly consistent with the actual deformation of the landslide model. PMID:29342902

The structure of feared social situations among race-ethnic minorities and Whites with social anxiety disorder in the United States

PubMed Central

Asnaani, Anu; Aderka, Idan M.; Marques, Luana; Simon, Naomi; Robinaugh, Donald J.; Hofmann, Stefan G.

2017-01-01

We investigated feared social situations in individuals with social anxiety disorder from different racial and ethnic groups in the United States. The sample included 247 African Americans, 158 Latinos, and 533 non-Latino Whites diagnosed with social anxiety disorder within the past 12 months from the integrated Collaborative Psychiatric Epidemiology Studies data set. After randomly splitting the full sample, we conducted an exploratory factor analysis with half of the sample to determine the structure of feared social situations in a more diverse sample than has been used in previous studies. We found evidence for a model consisting of three feared social domains: performance/public speaking, social interaction, and observational. We then conducted a confirmatory factor analysis on the remaining half of the sample to examine whether this factor structure varied significantly between the race-ethnic groups. Analyses revealed an adequate fit of this model across all three race-ethnic groups, suggesting invariance of the factor structure between the study groups. Broader cultural contexts within which these findings are relevant are discussed, along with important implications for comprehensive, culturally sensitive assessment of social anxiety. PMID:25795220

Neural control of muscle force: indications from a simulation model

PubMed Central

Luca, Carlo J. De

2013-01-01

We developed a model to investigate the influence of the muscle force twitch on the simulated firing behavior of motoneurons and muscle force production during voluntary isometric contractions. The input consists of an excitatory signal common to all the motor units in the pool of a muscle, consistent with the “common drive” property. Motor units respond with a hierarchically structured firing behavior wherein at any time and force, firing rates are inversely proportional to recruitment threshold, as described by the “onion skin” property. Time- and force-dependent changes in muscle force production are introduced by varying the motor unit force twitches as a function of time or by varying the number of active motor units. A force feedback adjusts the input excitation, maintaining the simulated force at a target level. The simulations replicate motor unit behavior characteristics similar to those reported in previous empirical studies of sustained contractions: 1) the initial decrease and subsequent increase of firing rates, 2) the derecruitment and recruitment of motor units throughout sustained contractions, and 3) the continual increase in the force fluctuation caused by the progressive recruitment of larger motor units. The model cautions the use of motor unit behavior at recruitment and derecruitment without consideration of changes in the muscle force generation capacity. It describes an alternative mechanism for the reserve capacity of motor units to generate extraordinary force. It supports the hypothesis that the control of motoneurons remains invariant during force-varying and sustained isometric contractions. PMID:23236008

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

PubMed

van de Streek, Jacco; Neumann, Marcus A

2010-10-01

This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

Experimental and theoretical studies of the structure of tellurate-borate glasses network.

PubMed

Rada, Simona; Culea, Eugen; Neumann, Manfred

2010-08-01

The structural properties of the xTeO(2) x (1-x)B(2)O(3) glasses (x = 0.6; 0.7) were investigated by FT-IR spectroscopy. From the analysis of the FTIR spectra, it is reasonable to assume that by the increasing of boron ions content, the tetrahedral [BO(4)] units are gradually replaced by the trigonal [BO(3)] units. The increase in the number of non-bridging oxygen atoms would decrease the connectivity of the glass network and will yield the depolymerization of the borate chains. The molecular structure and vibrational frequencies of the proposed structural models have been studied by exploring the density functional theory (DFT) calculations. The FTIR spectra of the xTeO(2) x (1-x)B(2)O(3) vitreous systems were compared with the calculated spectrum. This procedure allowed us to assign most of the observed IR bands.

Structural characterization of rubber from jackfruit and euphorbia as a model of natural rubber.

PubMed

Mekkriengkrai, Dararat; Ute, Koiichi; Swiezewska, Ewa; Chojnacki, Tadeusz; Tanaka, Yasuyuki; Sakdapipanich, Jitladda T

2004-01-01

A structural study of low molecular weight rubbers from Jackfruit (Artocarpus heterophyllus) and Painted spurge (Euphorbia heterophylla) was carried out as model compounds of natural rubber from Hevea brasiliensis. The rubber content of latex from Jackfruit was 0.4-0.7%, which is very low compared with that of 30-35% in the latex from Hevea tree. The rubber from Jackfruit latex was low molecular weight with narrow unimodal molecular weight distribution (MWD), whereas that obtained from E. heterophylla showed very broad MWD. The 1H and 13C NMR analyses showed that Jackfruit rubber consists of a dimethylallyl group and two trans-isoprene units connected to a long sequence of cis-isoprene units. The alpha-terminal group of Jackfruit rubber was presumed to be composed of a phosphate group based on the presence of 1H NMR signal at 4.08 ppm corresponding to the terminal =CH-CH2OP group.

3D braid scaffolds for regeneration of articular cartilage.

PubMed

Ahn, Hyunchul; Kim, Kyoung Ju; Park, Sook Young; Huh, Jeong Eun; Kim, Hyun Jeong; Yu, Woong-Ryeol

2014-06-01

Regenerating articular cartilage in vivo from cultured chondrocytes requires that the cells be cultured and implanted within a biocompatible, biodegradable scaffold. Such scaffolds must be mechanically stable; otherwise chondrocytes would not be supported and patients would experience severe pain. Here we report a new 3D braid scaffold that matches the anisotropic (gradient) mechanical properties of natural articular cartilage and is permissive to cell cultivation. To design an optimal structure, the scaffold unit cell was mathematically modeled and imported into finite element analysis. Based on this analysis, a 3D braid structure with gradient axial yarn distribution was designed and manufactured using a custom-built braiding machine. The mechanical properties of the 3D braid scaffold were evaluated and compared with simulated results, demonstrating that a multi-scale approach consisting of unit cell modeling and continuum analysis facilitates design of scaffolds that meet the requirements for mechanical compatibility with tissues. Copyright © 2014 Elsevier Ltd. All rights reserved.

Geothermal Resource/Reservoir Investigations Based on Heat Flow and Thermal Gradient Data for the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

D. D. Blackwell; K. W. Wisian; M. C. Richards

2000-04-01

Several activities related to geothermal resources in the western United States are described in this report. A database of geothermal site-specific thermal gradient and heat flow results from individual exploration wells in the western US has been assembled. Extensive temperature gradient and heat flow exploration data from the active exploration of the 1970's and 1980's were collected, compiled, and synthesized, emphasizing previously unavailable company data. Examples of the use and applications of the database are described. The database and results are available on the world wide web. In this report numerical models are used to establish basic qualitative relationships betweenmore » structure, heat input, and permeability distribution, and the resulting geothermal system. A series of steady state, two-dimensional numerical models evaluate the effect of permeability and structural variations on an idealized, generic Basin and Range geothermal system and the results are described.« less

Crystal structure of bis­[tetra­kis­(tri­phenyl­phosphane-κP)silver(I)] (nitrilo­tri­acetato-κ4 N,O,O′,O′′)(tri­phenyl­phosphane-κP)argentate(I) with an unknown amount of methanol as solvate

PubMed Central

Noll, Julian; Korb, Marcus; Lang, Heinrich

2016-01-01

The structure of the title compound, [Ag(C18H15P)4]2[Ag(C6H6NO6)(C18H15P)], exhibits trigonal (P-3) symmetry, with a C 3 axis through all three complex ions, resulting in an asymmetric unit that contains one third of the atoms present in the formula unit. The formula unit thus contains two of the cations, one anion and disordered mol­ecules of methanol as the packing solvent. Attempts to refine the solvent model were unsuccessful, indicating uninter­pretable disorder. Thus, the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18] was applied, accounting for 670 electrons per unit cell, representing approximately 18 mol­ecules of methanol in the formula unit. The stated crystal data for M r, μ etc do not take these into account. PMID:27006796

Radiative Transport Modelling of Thermal Barrier Coatings

DTIC Science & Technology

2017-03-24

of being able to extract useful data. To account for this deficiency, the purpose of this project is to improve models for use in OCT measurements ...PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Lumium optical precision measurement solutions...coefficients. Further, the model will need to take into account the effects of interface reflections and a multilayer structure. Such a model is of

HESS Opinions: Functional units: a novel framework to explore the link between spatial organization and hydrological functioning of intermediate scale catchments

NASA Astrophysics Data System (ADS)

Zehe, E.; Ehret, U.; Pfister, L.; Blume, T.; Schröder, B.; Westhoff, M.; Jackisch, C.; Schymanski, S. J.; Weiler, M.; Schulz, K.; Allroggen, N.; Tronicke, J.; Dietrich, P.; Scherer, U.; Eccard, J.; Wulfmeyer, V.; Kleidon, A.

2014-03-01

This opinion paper proposes a novel framework for exploring how spatial organization alongside with spatial heterogeneity controls functioning of intermediate scale catchments of organized complexity. Key idea is that spatial organization in landscapes implies that functioning of intermediate scale catchments is controlled by a hierarchy of functional units: hillslope scale lead topologies and embedded elementary functional units (EFUs). We argue that similar soils and vegetation communities and thus also soil structures "co-developed" within EFUs in an adaptive, self-organizing manner as they have been exposed to similar flows of energy, water and nutrients from the past to the present. Class members of the same EFU (class) are thus deemed to belong to the same ensemble with respect to controls of the energy balance and related vertical flows of capillary bounded soil water and heat. Class members of superordinate lead topologies are characterized by the same spatially organized arrangement of EFUs along the gradient driving lateral flows of free water as well as a similar surface and bedrock topography. We hence postulate that they belong to the same ensemble with respect to controls on rainfall runoff transformation and related vertical and lateral fluxes of free water. We expect class members of these functional units to have a distinct way how their architecture controls the interplay of state dynamics and integral flows, which is typical for all members of one class but dissimilar among the classes. This implies that we might infer on the typical dynamic behavior of the most important classes of EFU and lead topologies in a catchment, by thoroughly characterizing a few members of each class. A major asset of the proposed framework, which steps beyond the concept of hydrological response units, is that it can be tested experimentally. In this respect, we reflect on suitable strategies based on stratified observations drawing from process hydrology, soil physics, geophysics, ecology and remote sensing which are currently conducted in replicates of candidate functional units in the Attert basin (Luxembourg), to search for typical and similar functional and structural characteristics. A second asset of this framework is that it blueprints a way towards a structurally more adequate model concept for water and energy cycles in intermediate scale catchments, which balances necessary complexity with falsifiability. This is because EFU and lead topologies are deemed to mark a hierarchy of "scale breaks" where simplicity with respect to the energy balance and stream flow generation emerges from spatially organized process-structure interactions. This offers the opportunity for simplified descriptions of these processes that are nevertheless physically and thermodynamically consistent. In this respect we reflect on a candidate model structure that (a) may accommodate distributed observations of states and especially terrestrial controls on driving gradients to constrain the space of feasible model structures and (b) allows testing the possible added value of organizing principles to understand the role of spatial organization from an optimality perspective.

Structural racism and myocardial infarction in the United States

PubMed Central

Lukachko, Alicia; Hatzenbuehler, Mark L.; Keyes, Katherine M.

2014-01-01

There is a growing research literature suggesting that racism is an important risk factor undermining the health of Blacks in the United States. Racism can take many forms, ranging from interpersonal interactions to institutional/structural conditions and practices. Existing research, however, tends to focus on individual forms of racial discrimination using self-report measures. Far less attention has been paid to whether structural racism may disadvantage the health of Blacks in the United States. The current study addresses gaps in the existing research by using novel measures of structural racism and by explicitly testing the hypothesis that structural racism is a risk factor for myocardial infarction among Blacks in the United States. State-level indicators of structural racism included four domains: (1) political participation; (2) employment and job status; (3) educational attainment; and (4) judicial treatment. State-level racial disparities across these domains were proposed to represent the systematic exclusion of Blacks from resources and mobility in society. Data on past-year myocardial infarction were obtained from the National Epidemiologic Survey on Alcohol and Related Conditions (non-Hispanic Black: N = 8245; non-Hispanic White: N = 24,507), a nationally representative survey of the U.S. civilian, non-institutionalized population aged 18 and older. Models were adjusted for individual-level confounders (age, sex, education, household income, medical insurance) as well as for state-level disparities in poverty. Results indicated that Blacks living in states with high levels of structural racism were generally more likely to report past-year myocardial infarction than Blacks living in low-structural racism states. Conversely, Whites living in high structural racism states experienced null or lower odds of myocardial infarction compared to Whites living in low-structural racism states. These results raise the provocative possibility that structural racism may not only harm the targets of stigma but also benefit those who wield the power to enact stigma and discrimination. PMID:24507909

Structural racism and myocardial infarction in the United States.

PubMed

Lukachko, Alicia; Hatzenbuehler, Mark L; Keyes, Katherine M

2014-02-01

There is a growing research literature suggesting that racism is an important risk factor undermining the health of Blacks in the United States. Racism can take many forms, ranging from interpersonal interactions to institutional/structural conditions and practices. Existing research, however, tends to focus on individual forms of racial discrimination using self-report measures. Far less attention has been paid to whether structural racism may disadvantage the health of Blacks in the United States. The current study addresses gaps in the existing research by using novel measures of structural racism and by explicitly testing the hypothesis that structural racism is a risk factor for myocardial infarction among Blacks in the United States. State-level indicators of structural racism included four domains: (1) political participation; (2) employment and job status; (3) educational attainment; and (4) judicial treatment. State-level racial disparities across these domains were proposed to represent the systematic exclusion of Blacks from resources and mobility in society. Data on past-year myocardial infarction were obtained from the National Epidemiologic Survey on Alcohol and Related Conditions (non-Hispanic Black: N = 8245; non-Hispanic White: N = 24,507), a nationally representative survey of the U.S. civilian, non-institutionalized population aged 18 and older. Models were adjusted for individual-level confounders (age, sex, education, household income, medical insurance) as well as for state-level disparities in poverty. Results indicated that Blacks living in states with high levels of structural racism were generally more likely to report past-year myocardial infarction than Blacks living in low-structural racism states. Conversely, Whites living in high structural racism states experienced null or lower odds of myocardial infarction compared to Whites living in low-structural racism states. These results raise the provocative possibility that structural racism may not only harm the targets of stigma but also benefit those who wield the power to enact stigma and discrimination. Copyright © 2013 Elsevier Ltd. All rights reserved.

[Crystal structure of SMU.2055 protein from Streptococcus mutans and its small molecule inhibitors design and selection].

PubMed

Xiaodan, Chen; Xiurong, Zhan; Xinyu, Wu; Chunyan, Zhao; Wanghong, Zhao

2015-04-01

The aim of this study is to analyze the three-dimensional crystal structure of SMU.2055 protein, a putative acetyltransferase from the major caries pathogen Streptococcus mutans (S. mutans). The design and selection of the structure-based small molecule inhibitors are also studied. The three-dimensional crystal structure of SMU.2055 protein was obtained by structural genomics research methods of gene cloning and expression, protein purification with Ni²⁺-chelating affinity chromatography, crystal screening, and X-ray diffraction data collection. An inhibitor virtual model matching with its target protein structure was set up using computer-aided drug design methods, virtual screening and fine docking, and Libdock and Autodock procedures. The crystal of SMU.2055 protein was obtained, and its three-dimensional crystal structure was analyzed. This crystal was diffracted to a resolution of 0.23 nm. It belongs to orthorhombic space group C222(1), with unit cell parameters of a = 9.20 nm, b = 9.46 nm, and c = 19.39 nm. The asymmetric unit contained four molecules, with a solvent content of 56.7%. Moreover, five small molecule compounds, whose structure matched with that of the target protein in high degree, were designed and selected. Protein crystallography research of S. mutans SMU.2055 helps to understand the structures and functions of proteins from S. mutans at the atomic level. These five compounds may be considered as effective inhibitors to SMU.2055. The virtual model of small molecule inhibitors we built will lay a foundation to the anticaries research based on the crystal structure of proteins.

Implementation of magnetic, gravity and resistivity data in identifying groundwater occurrences in El Qaa Plain area, Southern Sinai, Egypt

NASA Astrophysics Data System (ADS)

Selim, El Sayed; Abdel-Raouf, Osama; Mesalam, Mohamed

2016-10-01

El Qaa plain is one of the areas that have been proved to be promising as to its soil and groundwater resources in the southwestern part of Sinai. This study was carried out to study the lateral and vertical variations in the subsurface lithologic properties in El Qaa plain area and delineating the subsurface structure that affecting El Qaa plain depression. Gravity, magnetic data, fifty-one (51) vertical electrical sounding (Ves's) and Digital Elevation Model (DEM) map were used. Two-dimensional density modeling, analytical signal, tilt derivatives, Euler deconvolution techniques and interpretation of the resistivity data were applied on potential data. This study concluded that, El Qaa plain is a NE-SW depression confined by two normal faults and subdivided into five sedimentary units. Rock fragments and boulders derived to the plain from the surrounding highlands are the main components of the first surface unit that characterized by high resistivity values. This layer is overly another unit composed of gravelly sand with thickness ranging between 10 and 140 m. The third unit is composed mainly of sand with intercalations of clay with thickness ranging from 2 to 152 m. A Reefal limestone unit is a fourth unit interpreted from this study. The fifth unit is composed of clay. The water bearing formations in El Qaa Plain area are located principally in the second and the third layers. Finally, the depth to the basement surface ranges from 400 m to more than 1.5 km below sea level. Also, there are many minor structural trends interpreted from this study and affecting the El Qaa plain are striking in N-S, E-W and NE-SW directions.

The Triad Research University or a Post 20th Century Research University Model

ERIC Educational Resources Information Center

Tadmor, Zehev

2006-01-01

In this paper, a model for the future research university is proposed, which answers some of the key challenges facing universities. It consists of three independent yet closely knitted entities: a research institute, a university teaching college and a business unit creating a "triad" structure. The possible inevitability, the advantages and…

Progress Implementing a Model-Based Iterative Reconstruction Algorithm for Ultrasound Imaging of Thick Concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Almansouri, Hani; Johnson, Christi R; Clayton, Dwight A

All commercial nuclear power plants (NPPs) in the United States contain concrete structures. These structures provide important foundation, support, shielding, and containment functions. Identification and management of aging and the degradation of concrete structures is fundamental to the proposed long-term operation of NPPs. Concrete structures in NPPs are often inaccessible and contain large volumes of massively thick concrete. While acoustic imaging using the synthetic aperture focusing technique (SAFT) works adequately well for thin specimens of concrete such as concrete transportation structures, enhancements are needed for heavily reinforced, thick concrete. We argue that image reconstruction quality for acoustic imaging in thickmore » concrete could be improved with Model-Based Iterative Reconstruction (MBIR) techniques. MBIR works by designing a probabilistic model for the measurements (forward model) and a probabilistic model for the object (prior model). Both models are used to formulate an objective function (cost function). The final step in MBIR is to optimize the cost function. Previously, we have demonstrated a first implementation of MBIR for an ultrasonic transducer array system. The original forward model has been upgraded to account for direct arrival signal. Updates to the forward model will be documented and the new algorithm will be assessed with synthetic and empirical samples.« less

Progress implementing a model-based iterative reconstruction algorithm for ultrasound imaging of thick concrete

NASA Astrophysics Data System (ADS)

Almansouri, Hani; Johnson, Christi; Clayton, Dwight; Polsky, Yarom; Bouman, Charles; Santos-Villalobos, Hector

2017-02-01

All commercial nuclear power plants (NPPs) in the United States contain concrete structures. These structures provide important foundation, support, shielding, and containment functions. Identification and management of aging and the degradation of concrete structures is fundamental to the proposed long-term operation of NPPs. Concrete structures in NPPs are often inaccessible and contain large volumes of massively thick concrete. While acoustic imaging using the synthetic aperture focusing technique (SAFT) works adequately well for thin specimens of concrete such as concrete transportation structures, enhancements are needed for heavily reinforced, thick concrete. We argue that image reconstruction quality for acoustic imaging in thick concrete could be improved with Model-Based Iterative Reconstruction (MBIR) techniques. MBIR works by designing a probabilistic model for the measurements (forward model) and a probabilistic model for the object (prior model). Both models are used to formulate an objective function (cost function). The final step in MBIR is to optimize the cost function. Previously, we have demonstrated a first implementation of MBIR for an ultrasonic transducer array system. The original forward model has been upgraded to account for direct arrival signal. Updates to the forward model will be documented and the new algorithm will be assessed with synthetic and empirical samples.

Validation of the Transient Structural Response of a Threaded Assembly: Phase I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doebling, Scott W.; Hemez, Francois M.; Robertson, Amy N.

2004-04-01

This report explores the application of model validation techniques in structural dynamics. The problem of interest is the propagation of an explosive-driven mechanical shock through a complex threaded joint. The study serves the purpose of assessing whether validating a large-size computational model is feasible, which unit experiments are required, and where the main sources of uncertainty reside. The results documented here are preliminary, and the analyses are exploratory in nature. The results obtained to date reveal several deficiencies of the analysis, to be rectified in future work.

United polarizable multipole water model for molecular mechanics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu

2015-07-07

We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interactionmore » site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.« less

Efficient finite element modelling for the investigation of the dynamic behaviour of a structure with bolted joints

NASA Astrophysics Data System (ADS)

Omar, R.; Rani, M. N. Abdul; Yunus, M. A.; Mirza, W. I. I. Wan Iskandar; Zin, M. S. Mohd

2018-04-01

A simple structure with bolted joints consists of the structural components, bolts and nuts. There are several methods to model the structures with bolted joints, however there is no reliable, efficient and economic modelling methods that can accurately predict its dynamics behaviour. Explained in this paper is an investigation that was conducted to obtain an appropriate modelling method for bolted joints. This was carried out by evaluating four different finite element (FE) models of the assembled plates and bolts namely the solid plates-bolts model, plates without bolt model, hybrid plates-bolts model and simplified plates-bolts model. FE modal analysis was conducted for all four initial FE models of the bolted joints. Results of the FE modal analysis were compared with the experimental modal analysis (EMA) results. EMA was performed to extract the natural frequencies and mode shapes of the test physical structure with bolted joints. Evaluation was made by comparing the number of nodes, number of elements, elapsed computer processing unit (CPU) time, and the total percentage of errors of each initial FE model when compared with EMA result. The evaluation showed that the simplified plates-bolts model could most accurately predict the dynamic behaviour of the structure with bolted joints. This study proved that the reliable, efficient and economic modelling of bolted joints, mainly the representation of the bolting, has played a crucial element in ensuring the accuracy of the dynamic behaviour prediction.

Structure of Toxoplasma gondii fructose-1,6-bisphosphate aldolase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boucher, Lauren E.; Bosch, Jürgen, E-mail: jbosch@jhu.edu; Johns Hopkins Bloomberg School of Public Health, 615 North Wolfe Street, Baltimore, MD 21205

The structure of T. gondii fructose-1,6-bisphosphate aldolase, a glycolytic enzyme and structural component of the invasion machinery, was determined to a resolution of 2.0 Å. The apicomplexan parasite Toxoplasma gondii must invade host cells to continue its lifecycle. It invades different cell types using an actomyosin motor that is connected to extracellular adhesins via the bridging protein fructose-1,6-@@bisphosphate aldolase. During invasion, aldolase serves in the role of a structural bridging protein, as opposed to its normal enzymatic role in the glycolysis pathway. Crystal structures of the homologous Plasmodium falciparum fructose-1,6-bisphosphate aldolase have been described previously. Here, T. gondii fructose-1,6-bisphosphate aldolasemore » has been crystallized in space group P22{sub 1}2{sub 1}, with the biologically relevant tetramer in the asymmetric unit, and the structure has been determined via molecular replacement to a resolution of 2.0 Å. An analysis of the quality of the model and of the differences between the four chains in the asymmetric unit and a comparison between the T. gondii and P. falciparum aldolase structures is presented.« less

A distribution benefits model for improved information on worldwide crop production. Volume 1: Model structure and application to wheat

NASA Technical Reports Server (NTRS)

Andrews, J.

1976-01-01

The improved model is suitable for the study of benefits of worldwide information on a variety of crops. Application to the previously studied case of worldwide wheat production shows that about $108 million per year of distribution benefits to the United States would be achieved by a satellite-based wheat information system meeting the goals of LACIE. The model also indicates that improved information alone will not change world stock levels unless production itself is stabilized. The United States benefits mentioned above are associated with the reduction of price fluctuations within the year and the more effective use of international trade to balance supply and demand. Price fluctuations from year to year would be reduced only if production variability were itself reduced.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aich, Sanjukta; Prasad, Lata; Delbaere, Louis T.J.

GTP-dependent phosphoenolpyruvate carboxykinase (PCK) is the key enzyme that controls the blood glucose level during fasting in higher animals. Here we report the first substrate-free structure of a GTP-dependent phosphoenolpyruvate (PEP) carboxykinase from a bacterium, Corynebacterium glutamicum (CgPCK). The protein crystallizes in space group P2{sub 1} with four molecules per asymmetric unit. The 2.3 {angstrom} resolution structure was solved by molecular replacement using the human cytosolic PCK (hcPCK) structure (PDB ID: 1KHF) as the starting model. The four molecules in the asymmetric unit pack as two dimers, and is an artifact of crystal packing. However, the P-loop and the guaninemore » binding loop of the substrate-free CgPCK structure have different conformations from the other published GTP-specific PCK structures, which all have bound substrates and/or metal ions. It appears that a change in the P-loop and guanine binding loop conformation is necessary for substrate binding in GTP-specific PCKs, as opposed to overall domain movement in ATP-specific PCKs.« less

Molecular modeling of the neurophysin I/oxytocin complex

NASA Astrophysics Data System (ADS)

Kazmierkiewicz, R.; Czaplewski, C.; Lammek, B.; Ciarkowski, J.

1997-01-01

Neurophysins I and II (NPI and NPII) act in the neurosecretory granules as carrier proteinsfor the neurophyseal hormones oxytocin (OT) and vasopressin (VP), respectively. The NPI/OTfunctional unit, believed to be an (NPI/OT)2 heterotetramer, was modeled using low-resolution structure information, viz. the Cα carbon atom coordinates of the homologousNPII/dipeptide complex (file 1BN2 in the Brookhaven Protein Databank) as a template. Itsall-atom representation was obtained using standard modeling tools available within theINSIGHT/Biopolymer modules supplied by Biosym Technologies Inc. A conformation of theNPI-bound OT, similar to that recently proposed in a transfer NOE experiment, was dockedinto the ligand-binding site by a superposition of its Cys1-Tyr2 fragment onto the equivalentportion of the dipeptide in the template. The starting complex for the initial refinements wasprepared by two alternative strategies, termed Model I and Model II, each ending with a˜100 ps molecular dynamics (MD) simulation in water using the AMBER 4.1 force field. The freehomodimer NPI2 was obtained by removal of the two OT subunits from their sites, followedby a similar structure refinement. The use of Model I, consisting of a constrained simulatedannealing, resulted in a structure remarkably similar to both the NPII/dipeptide complex anda recently published solid-state structure of the NPII/OT complex. Thus, Model I isrecommended as the method of choice for the preparation of the starting all-atom data forMD. The MD simulations indicate that, both in the homodimer and in the heterotetramer, the310-helices demonstrate an increased mobility relative to the remaining body of the protein.Also, the C-terminal domains in the NPI2 homodimer are more mobile than the N-terminalones. Finally, a distinct intermonomer interaction is identified, concentrated around its mostprominent, although not unique, contribution provided by an H-bond from Ser25Oγ in one NPI unit to Glu81 Oɛ in the other unit. This interaction is present in the heterotetramer(NPI/OT)2 and absent or weak in the NPI2 homodimer. We speculate that this interaction,along with the increased mobility of the 310-helices and the carboxy domains, may contributeto the allosteric communication between ligand binding and NPI dimerization.

Modeling of Surface Thermodynamics and Damage Thresholds in the IR and THz Regime

DTIC Science & Technology

2007-01-01

Conference on Optical Interactions with Tissue and Cells [18th] Held in San Jose, California on January 22-24, 2007 To order the complete compilation report...United States; c Air Force Reasearch Lab, Human Effectivness Directorate Optical Branch, 2624 Louis Bauer Drive, San Antonio, TX, United States...equation (radial and axial) in a biological system construct. Tissues are represented as multi-layer structures, with optical and thermal properties

Very high resolution Earth Observation features for testing the direct and indirect effects of landscape structure on local habitat quality

NASA Astrophysics Data System (ADS)

Mairota, Paola; Cafarelli, Barbara; Labadessa, Rocco; Lovergine, Francesco P.; Tarantino, Cristina; Nagendra, Harini; Didham, Raphael K.

2015-02-01

Modelling the empirical relationships between habitat quality and species distribution patterns is the first step to understanding human impacts on biodiversity. It is important to build on this understanding to develop a broader conceptual appreciation of the influence of surrounding landscape structure on local habitat quality, across multiple spatial scales. Traditional models which report that 'habitat amount' in the landscape is sufficient to explain patterns of biodiversity, irrespective of habitat configuration or spatial variation in habitat quality at edges, implicitly treat each unit of habitat as interchangeable and ignore the high degree of interdependence between spatial components of land-use change. Here, we test the contrasting hypothesis, that local habitat units are not interchangeable in their habitat attributes, but are instead dependent on variation in surrounding habitat structure at both patch- and landscape levels. As the statistical approaches needed to implement such hierarchical causal models are observation-intensive, we utilise very high resolution (VHR) Earth Observation (EO) images to rapidly generate fine-grained measures of habitat patch internal heterogeneities over large spatial extents. We use linear mixed-effects models to test whether these remotely-sensed proxies for habitat quality were influenced by surrounding patch or landscape structure. The results demonstrate the significant influence of surrounding patch and landscape context on local habitat quality. They further indicate that such an influence can be direct, when a landscape variable alone influences the habitat structure variable, and/or indirect when the landscape and patch attributes have a conjoined effect on the response variable. We conclude that a substantial degree of interaction among spatial configuration effects is likely to be the norm in determining the ecological consequences of habitat fragmentation, thus corroborating the notion of the spatial context dependence of habitat quality.

Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, Michael C.; Cascio, Duilio; Yeates, Todd O.

Real macromolecular crystals can be non-ideal in a myriad of ways. This often creates challenges for structure determination, while also offering opportunities for greater insight into the crystalline state and the dynamic behavior of macromolecules. To evaluate whether different parts of a single crystal of a dynamic protein, EutL, might be informative about crystal and protein polymorphism, a microfocus X-ray synchrotron beam was used to collect a series of 18 separate data sets from non-overlapping regions of the same crystal specimen. A principal component analysis (PCA) approach was employed to compare the structure factors and unit cells across the datamore » sets, and it was found that the 18 data sets separated into two distinct groups, with largeRvalues (in the 40% range) and significant unit-cell variations between the members of the two groups. This categorization mapped the different data-set types to distinct regions of the crystal specimen. Atomic models of EutL were then refined against two different data sets obtained by separately merging data from the two distinct groups. A comparison of the two resulting models revealed minor but discernable differences in certain segments of the protein structure, and regions of higher deviation were found to correlate with regions where larger dynamic motions were predicted to occur by normal-mode molecular-dynamics simulations. The findings emphasize that large spatially dependent variations may be present across individual macromolecular crystals. This information can be uncovered by simultaneous analysis of multiple partial data sets and can be exploited to reveal new insights about protein dynamics, while also improving the accuracy of the structure-factor data ultimately obtained in X-ray diffraction experiments.« less

Modeling the Impact of Simulated Educational Interventions on the Use and Abuse of Pharmaceutical Opioids in the United States: A Report on Initial Efforts

ERIC Educational Resources Information Center

Wakeland, Wayne; Nielsen, Alexandra; Schmidt, Teresa D.; McCarty, Dennis; Webster, Lynn R.; Fitzgerald, John; Haddox, J. David

2013-01-01

Three educational interventions were simulated in a system dynamics model of the medical use, trafficking, and nonmedical use of pharmaceutical opioids. The study relied on secondary data obtained in the literature for the period of 1995 to 2008 as well as expert panel recommendations regarding model parameters and structure. The behavior of the…

ISS Plasma Interaction: Measurements and Modeling

NASA Technical Reports Server (NTRS)

Barsamian, H.; Mikatarian, R.; Alred, J.; Minow, J.; Koontz, S.

2004-01-01

Ionospheric plasma interaction effects on the International Space Station are discussed in the following paper. The large structure and high voltage arrays of the ISS represent a complex system interacting with LEO plasma. Discharge current measurements made by the Plasma Contactor Units and potential measurements made by the Floating Potential Probe delineate charging and magnetic induction effects on the ISS. Based on theoretical and physical understanding of the interaction phenomena, a model of ISS plasma interaction has been developed. The model includes magnetic induction effects, interaction of the high voltage solar arrays with ionospheric plasma, and accounts for other conductive areas on the ISS. Based on these phenomena, the Plasma Interaction Model has been developed. Limited verification of the model has been performed by comparison of Floating Potential Probe measurement data to simulations. The ISS plasma interaction model will be further tested and verified as measurements from the Floating Potential Measurement Unit become available, and construction of the ISS continues.

A mission-based productivity compensation model for an academic anesthesiology department.

PubMed

Reich, David L; Galati, Maria; Krol, Marina; Bodian, Carol A; Kahn, Ronald A

2008-12-01

We replaced a nearly fixed-salary academic physician compensation model with a mission-based productivity model with the goal of improving attending anesthesiologist productivity. The base salary system was stratified according to rank and clinical experience. The supplemental pay structure was linked to electronic patient records and a scheduling database to award points for clinical activity; educational, research, and administrative points systems were constructed in parallel. We analyzed monthly American Society of Anesthesiologist (ASA) unit data for operating room activity and physician compensation from 2000 through mid-2007, excluding the 1-yr implementation period (July 2004-June 2005) for the new model. Comparing 2005-2006 with 2000-2004, quarterly ASA units increased by 14% (P = 0.0001) and quarterly ASA units per full-time equivalent increased by 31% (P < 0.0001), while quarterly ASA units per anesthetizing location decreased by 10% (P = 0.046). Compared with a baseline year (2001), Instructor and Assistant Professor faculty compensation increased more than Associate Professor and Professor faculty (P < 0.001) in both pre- and postimplementation periods. There were larger compensation increases for the postimplementation period compared with preimplementation across faculty rank groupings (P < 0.0001). Academic and educational output was stable. Implementing a productivity-based faculty compensation model in an academic department was associated with increased mean supplemental pay with relatively fewer faculty. ASA units per month and ASA units per operating room full-time equivalent increased, and these metrics are the most likely drivers of the increased compensation. This occurred despite a slight decrease in clinical productivity as measured by ASA units per anesthetizing location. Academic and educational output was stable.

Short-Term Energy Outlook Model Documentation: Electricity Generation and Fuel Consumption Models

EIA Publications

2014-01-01

The electricity generation and fuel consumption models of the Short-Term Energy Outlook (STEO) model provide forecasts of electricity generation from various types of energy sources and forecasts of the quantities of fossil fuels consumed for power generation. The structure of the electricity industry and the behavior of power generators varies between different areas of the United States. In order to capture these differences, the STEO electricity supply and fuel consumption models are designed to provide forecasts for the four primary Census regions.

Structure of the Si(111)-(5×2)-Au Surface

NASA Astrophysics Data System (ADS)

Abukawa, Tadashi; Nishigaya, Yoshiki

2013-01-01

The structure of the Si(111)-(5×2)-Au surface, one of the long-standing problems in surface science, has been solved by means of Weissenberg reflection high-energy electron diffraction. The arrangement of the Au atoms and their positions with respect to the substrate were determined from a three-dimensional Patterson function with a lateral resolution of 0.3 Å based on a large amount of diffraction data. The new structural model consists of six Au atoms in a 5×2 unit, which agrees with the recently confirmed Au coverage of 0.6 ML [I. Barke , Phys. Rev. B 79, 155301 (2009).PRBMDO1098-0121]. The model has a distinct ×2 periodicity, and includes a Au dimer. The model is also compatible with previously obtained STM images.

Development and validation of a Housing First fidelity survey.

PubMed

Gilmer, Todd P; Stefancic, Ana; Sklar, Marisa; Tsemberis, Sam

2013-09-01

Programs that use the Housing First model are being implemented throughout the United States and internationally. The authors describe the development and validation of a Housing First fidelity survey. A 46-item survey was developed to measure fidelity across five domains: housing process and structure, separation of housing and services, service philosophy, service array, and team structure. The survey was administered to staff and clients of 93 supported-housing programs in California. Exploratory and confirmatory factor analyses were used to identify the items and model structure that best fit the data. Sixteen items were retained in a two-factor model, one related to approach to housing, separation of housing and services, and service philosophy and one related to service array and team structure. Our survey mapped program practices by using a common metric that captured variation in fidelity to Housing First across a large-scale implementation of supported-housing programs.

Mapping local deformation behavior in single cell metal lattice structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carlton, Holly D.; Lind, Jonathan; Messner, Mark C.

The deformation behavior of metal lattice structures is extremely complex and challenging to predict, especially since strain is not uniformly distributed throughout the structure. Understanding and predicting the failure behavior for these types of light-weighting structures is of great interest due to the excellent scaling of stiffness- and strength-to weight ratios they display. Therefore, there is a need to perform simplified experiments that probe unit cell mechanisms. This study reports on high resolution mapping of the heterogeneous structural response of single unit cells to the macro-scale loading condition. Two types of structures, known to show different stress-strain responses, were evaluatedmore » using synchrotron radiation micro-tomography while performing in-situ uniaxial compression tests to capture the local micro-strain deformation. These structures included the octet-truss, a stretch-dominated lattice, and the rhombic-dodecahedron, a bend-dominated lattice. The tomographic analysis showed that the stretch- and bend-dominated lattices exhibit different failure mechanisms and that the defects built into the structure cause a heterogeneous localized deformation response. Also shown here is a change in failure mode for stretch-dominated lattices, where there appears to be a transition from buckling to plastic yielding for samples with a relative density between 10 and 20%. In conclusion, the experimental results were also used to inform computational studies designed to predict the mesoscale deformation behavior of lattice structures. Here an equivalent continuum model and a finite element model were used to predict both local strain fields and mechanical behavior of lattices with different topologies.« less

Mapping local deformation behavior in single cell metal lattice structures

DOE PAGES

Carlton, Holly D.; Lind, Jonathan; Messner, Mark C.; ...

2017-02-08

The deformation behavior of metal lattice structures is extremely complex and challenging to predict, especially since strain is not uniformly distributed throughout the structure. Understanding and predicting the failure behavior for these types of light-weighting structures is of great interest due to the excellent scaling of stiffness- and strength-to weight ratios they display. Therefore, there is a need to perform simplified experiments that probe unit cell mechanisms. This study reports on high resolution mapping of the heterogeneous structural response of single unit cells to the macro-scale loading condition. Two types of structures, known to show different stress-strain responses, were evaluatedmore » using synchrotron radiation micro-tomography while performing in-situ uniaxial compression tests to capture the local micro-strain deformation. These structures included the octet-truss, a stretch-dominated lattice, and the rhombic-dodecahedron, a bend-dominated lattice. The tomographic analysis showed that the stretch- and bend-dominated lattices exhibit different failure mechanisms and that the defects built into the structure cause a heterogeneous localized deformation response. Also shown here is a change in failure mode for stretch-dominated lattices, where there appears to be a transition from buckling to plastic yielding for samples with a relative density between 10 and 20%. In conclusion, the experimental results were also used to inform computational studies designed to predict the mesoscale deformation behavior of lattice structures. Here an equivalent continuum model and a finite element model were used to predict both local strain fields and mechanical behavior of lattices with different topologies.« less

Comparative study of polyethylene polyamines as activator molecules for a structurally unstable group I ribozyme.

PubMed

Gulshan, Mst Ara; Matsumura, Shigeyoshi; Higuchi, Tsunehiko; Umezawa, Naoki; Ikawa, Yoshiya

2018-04-26

Polyamines are a promising class of molecules that can modulate RNA enzyme activities. To analyze the effects of the number of amine moieties systematically, we employed four polyamines sharing dimethylene units to connect amine moieties. As a model RNA enzyme, we used a structurally unstable group I ribozyme, which was activated most and least efficiently by tetraethylenepentamine and diethylenetriamine respectively.

On some genetic consequences of social structure, mating systems, dispersal, and sampling

PubMed Central

Parreira, Bárbara R.; Chikhi, Lounès

2015-01-01

Many species are spatially and socially organized, with complex social organizations and dispersal patterns that are increasingly documented. Social species typically consist of small age-structured units, where a limited number of individuals monopolize reproduction and exhibit complex mating strategies. Here, we model social groups as age-structured units and investigate the genetic consequences of social structure under distinct mating strategies commonly found in mammals. Our results show that sociality maximizes genotypic diversity, which contradicts the belief that social groups are necessarily subject to strong genetic drift and at high risk of inbreeding depression. Social structure generates an excess of genotypic diversity. This is commonly observed in ecological studies but rarely reported in population genetic studies that ignore social structure. This heterozygosity excess, when detected, is often interpreted as a consequence of inbreeding avoidance mechanisms, but we show that it can occur even in the absence of such mechanisms. Many seemly contradictory results from ecology and population genetics can be reconciled by genetic models that include the complexities of social species. We find that such discrepancies can be explained by the intrinsic properties of social groups and by the sampling strategies of real populations. In particular, the number of social groups and the nature of the individuals that compose samples (e.g., nonreproductive and reproductive individuals) are key factors in generating outbreeding signatures. Sociality is an important component of population structure that needs to be revisited by ecologists and population geneticists alike. PMID:26080393

Structural Analysis and Testing of the Inflatable Re-entry Vehicle Experiment (IRVE)

NASA Technical Reports Server (NTRS)

Lindell, Michael C.; Hughes, Stephen J.; Dixon, Megan; Wiley, Cliff E.

2006-01-01

The Inflatable Re-entry Vehicle Experiment (IRVE) is a 3.0 meter, 60 degree half-angle sphere cone, inflatable aeroshell experiment designed to demonstrate various aspects of inflatable technology during Earth re-entry. IRVE will be launched on a Terrier-Improved Orion sounding rocket from NASA s Wallops Flight Facility in the fall of 2006 to an altitude of approximately 164 kilometers and re-enter the Earth s atmosphere. The experiment will demonstrate exo-atmospheric inflation, inflatable structure leak performance throughout the flight regime, structural integrity under aerodynamic pressure and associated deceleration loads, thermal protection system performance, and aerodynamic stability. Structural integrity and dynamic response of the inflatable will be monitored with photogrammetric measurements of the leeward side of the aeroshell during flight. Aerodynamic stability and drag performance will be verified with on-board inertial measurements and radar tracking from multiple ground radar stations. In addition to demonstrating inflatable technology, IRVE will help validate structural, aerothermal, and trajectory modeling and analysis techniques for the inflatable aeroshell system. This paper discusses the structural analysis and testing of the IRVE inflatable structure. Equations are presented for calculating fabric loads in sphere cone aeroshells, and finite element results are presented which validate the equations. Fabric material properties and testing are discussed along with aeroshell fabrication techniques. Stiffness and dynamics tests conducted on a small-scale development unit and a full-scale prototype unit are presented along with correlated finite element models to predict the in-flight fundamental mod

General Mechanism of Two-State Protein Folding Kinetics

PubMed Central

Rollins, Geoffrey C.; Dill, Ken A.

2016-01-01

We describe here a general model of the kinetic mechanism of protein folding. In the Foldon Funnel Model, proteins fold in units of secondary structures, which form sequentially along the folding pathway, stabilized by tertiary interactions. The model predicts that the free energy landscape has a volcano shape, rather than a simple funnel, that folding is two-state (single-exponential) when secondary structures are intrinsically unstable, and that each structure along the folding path is a transition state for the previous structure. It shows how sequential pathways are consistent with multiple stochastic routes on funnel landscapes, and it gives good agreement with the 9 order of magnitude dependence of folding rates on protein size for a set of 93 proteins, at the same time it is consistent with the near independence of folding equilibrium constant on size. This model gives estimates of folding rates of proteomes, leading to a median folding time in Escherichia coli of about 5 s. PMID:25056406

Depression Anxiety Stress Scales (DASS-21): Factor Structure in Traumatic Brain Injury Rehabilitation.

PubMed

Randall, Diane; Thomas, Matt; Whiting, Diane; McGrath, Andrew

To confirm the construct validity of the Depression Anxiety Stress Scales-21 (DASS-21) by investigating the fit of published factor structures in a sample of adults with moderate to severe traumatic brain injury (posttraumatic amnesia > 24 hours). Archival data from 504 patient records at the Brain Injury Rehabilitation Unit at Liverpool Hospital, Australia. Participants were aged between 16 and 71 years and were engaged in a specialist rehabilitation program. The DASS-21. Two of the 6 models had adequate fit using structural equation modeling. The data best fit Henry and Crawford's quadripartite model, which comprised a Depression, Anxiety and Stress factor, as well as a General Distress factor. The data also adequately fit Lovibond and Lovibond's original 3-factor model, and the internal consistencies of each factor were very good (α = 0.82-0.90). This study confirms the structure and construct validity of the DASS-21 and provides support for its use as a screening tool in traumatic brain injury rehabilitation.

Active influence in dynamical models of structural balance in social networks

NASA Astrophysics Data System (ADS)

Summers, Tyler H.; Shames, Iman

2013-07-01

We consider a nonlinear dynamical system on a signed graph, which can be interpreted as a mathematical model of social networks in which the links can have both positive and negative connotations. In accordance with a concept from social psychology called structural balance, the negative links play a key role in both the structure and dynamics of the network. Recent research has shown that in a nonlinear dynamical system modeling the time evolution of “friendliness levels” in the network, two opposing factions emerge from almost any initial condition. Here we study active external influence in this dynamical model and show that any agent in the network can achieve any desired structurally balanced state from any initial condition by perturbing its own local friendliness levels. Based on this result, we also introduce a new network centrality measure for signed networks. The results are illustrated in an international-relations network using United Nations voting record data from 1946 to 2008 to estimate friendliness levels amongst various countries.

Simulating spin models on GPU

NASA Astrophysics Data System (ADS)

Weigel, Martin

2011-09-01

Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that of current CPUs by large factors, results from the relative simplicity of the GPU architectures as compared to CPUs, combined with a large number of parallel processing units on a single chip. To benefit from this setup for general computing purposes, the problems at hand need to be prepared in a way to profit from the inherent parallelism and hierarchical structure of memory accesses. In this contribution I discuss the performance potential for simulating spin models, such as the Ising model, on GPU as compared to conventional simulations on CPU.

STRUCTURAL UNITS OF STARCH DETERMINED BY X-RAY CRYSTAL STRUCTURE METHOD.

PubMed

Sponsler, O L

1923-07-20

A few brief statements summarizing the foregoing conclusions may make a picture of the structure of the starch grain somewhat clearer. 1. The presence of lines on the negatives indicates a regular arrangement of the planes of atoms. 2. The lines are in close agreement with lines which would be produced by a lattice of the tetragonal system, the elementary cell of which is a square prism with the dimensions 5.94 x 5.94 x 5.05 A.u. 3. The unit of the lattice occupies a space equal to the volume of the starch group, C(6)H(10)O(5). 4. The large number of atoms in the unit makes it highly probable that principal planes and secondary planes of atoms occur for every reflecting position. 5. The effect of the secondary upon the principal planes may readily account for the differences in the density of the lines produced on the negatives. 6. From theoretical considerations, reflections, such as those obtained, would occur if starch grains were built up of concentric layers of units. 7. Two other factors which might affect the density of the lines are thermal agitation and the curvature of the concentric layers. 8. A model of the starch group was constructed to scale based on the accepted sizes of the atoms involved and upon rather meager chemical evidence. The model apparently fulfills the requirements necessary to produce reflections such as were obtained. 9. The model fits the elementary cell loosely enough to suggest a low density and to allow for considerable thermal movement. At the same time, parts of it approach the faces of the cell closely enough to make cohesion seem possible. 10. The model makes clearer the basis for the assumption that reflection from certain positions would be stronger than from others. If the interpretation of the data is correct and if the assumptions made are sound, then the starch grain is built up of units arranged in concentric layers, and the units are groups of atoms, each containing 6 carbon, 10 hydrogen, and 5 oxygen atoms. Such a structure is certainly not an amorphous structure, and on the other hand it is not crystalline in the common sense of the term. Parts of the grain, it is true, act as crystals in that for certain distances the layers of units are in planes, but taken as a whole the layers are curved. As to the validity of the conclusions, those pertaining to the type of lattice and to the size of the unit may be accepted as sound in our present knowledge of x-rays and crystal structure; those, however, pertaining to the nature and the spherical arrangement of the units, while they seem convincing, need the support of further investigation into the various structures deposited by living protoplasm. In conclusion, the assumption that the units form a sort of spherical space lattice, gives a picture of the starch grain which leads us to ponder over the nature of the activity in protoplasm when it is depositing solid substances. Starch, cellulose, and pectic bodies are about the only solid deposits made directly by the living substance of plants, and all three have the same proportional formula, C(6)H(10)O(5). Investigations, as yet incomplete, indicate that cellulose also consists of a regular arrangement of C(6)H(10)O(5) groups, each acting as a unit, but the spacing (6.14 x 6.14 x 5.55) is slightly different from that of starch. Pectin has not been studied. Protoplasm may be thought of as being composed of molecules of many different sizes, polypeptides, or even proteins forming the larger, and amino-acids the smaller, if water and electrolytes are ignored. The smaller molecules, such as those of the amino-acid, leucine, are approximately equal in size to the C(6)H(10)O(5) group of starch. That being the case, what can be the state of affairs at the interface when the starch particles are being deposited? Is it probable that protoplasm is homogeneous to the extent of being able to deposit these particles at 6 A.u. intervals? From quite another view-point a clear picture of the units of structure and their arrangement in cellulose should give a new point of attack on the many problems connected with osmosis. And from still a different view-point, it might lead perhaps, to a solution of problems connected with swelling. Another line of thought is suggested by the uniformity of the groups in the starch grain. Since the C(6)H(10)O(5) group occurs as an individual unit, one is inclined to suspect that it is really the molecule. Generally the starch molecule is considered to be very large, to be composed of several dozens of such groups, and to have a molecular weight of 7,000 or much more. No one figure, however, seems satisfactory to the different authorities. There is already at hand considerable evidence which will be assembled in a later paper favoring the single group, C(6)H(10)O(5), as the molecule. Finally, problems in polarized light may receive more satisfactory explanations through a clearer notion of the molecular structure of the carbohydrates.

Structure and Crystallization of Alkaline-Earth Aluminosilicate Glasses: Prevention of the Alumina-Avoidance Principle.

PubMed

Allu, Amarnath R; Gaddam, Anuraag; Ganisetti, Sudheer; Balaji, Sathravada; Siegel, Renée; Mather, Glenn C; Fabian, Margit; Pascual, Maria J; Ditaranto, Nicoletta; Milius, Wolfgang; Senker, Jürgen; Agarkov, Dmitrii A; Kharton, Vladislav V; Ferreira, José M F

2018-05-03

Aluminosilicate glasses are considered to follow the Al-avoidance principle, which states that Al-O-Al linkages are energetically less favorable, such that, if there is a possibility for Si-O-Al linkages to occur in a glass composition, Al-O-Al linkages are not formed. The current paper shows that breaching of the Al-avoidance principle is essential for understanding the distribution of network-forming AlO 4 and SiO 4 structural units in alkaline-earth aluminosilicate glasses. The present study proposes a new modified random network (NMRN) model, which accepts Al-O-Al linkages for aluminosilicate glasses. The NMRN model consists of two regions, a network structure region (NS-Region) composed of well-separated homonuclear and heteronuclear framework species and a channel region (C-Region) of nonbridging oxygens (NBOs) and nonframework cations. The NMRN model accounts for the structural changes and devitrification behavior of aluminosilicate glasses. A parent Ca- and Al-rich melilite-based CaO-MgO-Al 2 O 3 -SiO 2 (CMAS) glass composition was modified by substituting MgO for CaO and SiO 2 for Al 2 O 3 to understand variations in the distribution of network-forming structural units in the NS-region and devitrification behavior upon heat treating. The structural features of the glass and glass-ceramics (GCs) were meticulously assessed by advanced characterization techniques including neutron diffraction (ND), powder X-ray diffraction (XRD), 29 Si and 27 Al magic angle spinning (MAS)-nuclear magnetic resonance (NMR), and in situ Raman spectroscopy. ND revealed the formation of SiO 4 and AlO 4 tetrahedral units in all the glass compositions. Simulations of chemical glass compositions based on deconvolution of 29 Si MAS NMR spectral analysis indicate the preferred formation of Si-O-Al over Si-O-Si and Al-O-Al linkages and the presence of a high concentration of nonbridging oxygens leading to the formation of a separate NS-region containing both SiO 4 and AlO 4 tetrahedra (Si/Al) (heteronuclear) in addition to the presence of Al [4] -O-Al [4] bonds; this region coexists with a predominantly SiO 4 -containing (homonuclear) NS-region. In GCs, obtained after heat treatment at 850 °C for 250 h, the formation of crystalline phases, as revealed from Rietveld refinement of XRD data, may be understood on the basis of the distribution of SiO 4 and AlO 4 structural units in the NS-region. The in situ Raman spectra of the GCs confirmed the formation of a Si/Al structural region, as well as indicating interaction between the Al/Si region and SiO 4 -rich region at higher temperatures, leading to the formation of additional crystalline phases.

Grammatical Planning Units During Real-Time Sentence Production in Speakers With Agrammatic Aphasia and Healthy Speakers.

PubMed

Lee, Jiyeon; Yoshida, Masaya; Thompson, Cynthia K

2015-08-01

Grammatical encoding (GE) is impaired in agrammatic aphasia; however, the nature of such deficits remains unclear. We examined grammatical planning units during real-time sentence production in speakers with agrammatic aphasia and control speakers, testing two competing models of GE. We queried whether speakers with agrammatic aphasia produce sentences word by word without advanced planning or whether hierarchical syntactic structure (i.e., verb argument structure; VAS) is encoded as part of the advanced planning unit. Experiment 1 examined production of sentences with a predefined structure (i.e., "The A and the B are above the C") using eye tracking. Experiment 2 tested production of transitive and unaccusative sentences without a predefined sentence structure in a verb-priming study. In Experiment 1, both speakers with agrammatic aphasia and young and age-matched control speakers used word-by-word strategies, selecting the first lemma (noun A) only prior to speech onset. However, in Experiment 2, unlike controls, speakers with agrammatic aphasia preplanned transitive and unaccusative sentences, encoding VAS before speech onset. Speakers with agrammatic aphasia show incremental, word-by-word production for structurally simple sentences, requiring retrieval of multiple noun lemmas. However, when sentences involve functional (thematic to grammatical) structure building, advanced planning strategies (i.e., VAS encoding) are used. This early use of hierarchical syntactic information may provide a scaffold for impaired GE in agrammatism.

Fluids and Combustion Facility: Combustion Integrated Rack Modal Model Correlation

NASA Technical Reports Server (NTRS)

McNelis, Mark E.; Suarez, Vicente J.; Sullivan, Timothy L.; Otten, Kim D.; Akers, James C.

2005-01-01

The Fluids and Combustion Facility (FCF) is a modular, multi-user, two-rack facility dedicated to combustion and fluids science in the US Laboratory Destiny on the International Space Station. FCF is a permanent facility that is capable of accommodating up to ten combustion and fluid science investigations per year. FCF research in combustion and fluid science supports NASA's Exploration of Space Initiative for on-orbit fire suppression, fire safety, and space system fluids management. The Combustion Integrated Rack (CIR) is one of two racks in the FCF. The CIR major structural elements include the International Standard Payload Rack (ISPR), Experiment Assembly (optics bench and combustion chamber), Air Thermal Control Unit (ATCU), Rack Door, and Lower Structure Assembly (Input/Output Processor and Electrical Power Control Unit). The load path through the rack structure is outlined. The CIR modal survey was conducted to validate the load path predicted by the CIR finite element model (FEM). The modal survey is done by experimentally measuring the CIR frequencies and mode shapes. The CIR model was test correlated by updating the model to represent the test mode shapes. The correlated CIR model delivery is required by NASA JSC at Launch-10.5 months. The test correlated CIR flight FEM is analytically integrated into the Shuttle for a coupled loads analysis of the launch configuration. The analysis frequency range of interest is 0-50 Hz. A coupled loads analysis is the analytical integration of the Shuttle with its cargo element, the Mini Payload Logistics Module (MPLM), in the Shuttle cargo bay. For each Shuttle launch configuration, a verification coupled loads analysis is performed to determine the loads in the cargo bay as part of the structural certification process.

Molecular hydrogen sorption capacity of D-shwarzites

NASA Astrophysics Data System (ADS)

Krasnov, Pavel O.; Shkaberina, Guzel S.; Kuzubov, Alexander A.; Kovaleva, Evgenia A.

2017-09-01

Schwarzites are one of the most well-known forms of nanoporous carbon. High porosity and large surface area of these materials make them promising candidates for molecular hydrogen storage. Quantum-chemical modeling showed that hydrogen weight fraction inside D-schwarzite structure depends on the number of atoms per unit cell that determines its size and morphology. D480 schwarzite has demonstrated the largest value of hydrogen sorption capacity amongst the structures considered in this work. It reaches 7.65% at the technologically acceptable values of temperature and pressure (300 K and 10 MPa). Though being lower than that required by DOE (9%), this amount can be increased by using schwarzites with larger unit cell corresponding to the larger surface area.

Scale-Free Networks and Commercial Air Carrier Transportation in the United States

NASA Technical Reports Server (NTRS)

Conway, Sheila R.

2004-01-01

Network science, or the art of describing system structure, may be useful for the analysis and control of large, complex systems. For example, networks exhibiting scale-free structure have been found to be particularly well suited to deal with environmental uncertainty and large demand growth. The National Airspace System may be, at least in part, a scalable network. In fact, the hub-and-spoke structure of the commercial segment of the NAS is an often-cited example of an existing scale-free network After reviewing the nature and attributes of scale-free networks, this assertion is put to the test: is commercial air carrier transportation in the United States well explained by this model? If so, are the positive attributes of these networks, e.g. those of efficiency, flexibility and robustness, fully realized, or could we effect substantial improvement? This paper first outlines attributes of various network types, then looks more closely at the common carrier air transportation network from perspectives of the traveler, the airlines, and Air Traffic Control (ATC). Network models are applied within each paradigm, including discussion of implied strengths and weaknesses of each model. Finally, known limitations of scalable networks are discussed. With an eye towards NAS operations, utilizing the strengths and avoiding the weaknesses of scale-free networks are addressed.

Proposal for Creating a Pocket of Innovation and Adaptability Within a Bureaucratic Enterprise

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, T. T.; Millet, C. B.

2001-07-02

A conceptual framework is developed that is based on a behavioral model for organizations that rely upon innovation and adaptability for their survival in the market place. The model supports the assertion that change efforts aimed at performance improvement need a systems approach because contributions to an organization's performance cross functional lines and are systemic in nature. The model implies four conclusions for a unit trying to effectuate change within a greater bureaucracy. First, the desired behaviors are currently neither evaluated nor rewarded enough by either the enterprise or the local unit. Second, the model has to be applied tomore » the local unit, treating the unit as a distinct enterprise itself. Third, a misalignment between the unit's new form and that of the rest of the enterprise will invariably be created. Fourth, this misalignment has to be minimized enough by the local unit to avoid the larger enterprise from responding negatively to the change effort. The mode l results in a change approach that constrains localized behavior modification by the need to remain aligned with the overall structure of the complete enterprise. The conceptual framework is used to develop a proposal for effectuating behavioral change within the High-Level Waste (HLW) Program at the Idaho National Engineering and Environmental Laboratory (INEEL). A ''strawman'' involving a set of critical systems, performance and evaluation measures, and tactics is presented as a starting point for further discussion and development within the Program organization.« less

Two-layer Crustal Structure of the Contiguous United States from Joint Inversion of USArray Receiver Functions and Gravity

NASA Astrophysics Data System (ADS)

Ma, X.; Lowry, A. R.

2015-12-01

The composition and thickness of crustal layering is fundamental to understanding the evolution and dynamics of continental lithosphere. Lowry and Pérez-Gussinyé (2011) found that the western Cordillera of the United States, characterized by active deformation and high heat flow, is strongly correlated with low bulk crustal seismic velocity ratio. They interpreted this observation as evidence that quartz controls continental tectonism and deformation. We will present new imaging of two-layer crustal composition and structure from cross-correlation of observed receiver functions and model synthetics. The cross-correlation coefficient of the two-layer model increases significantly relative to an assumed one-layer model, and the lower crustal thickness map from raw two-layer modeling (prior to Bayesian filtering with gravity models and Optimal Interpolation) clearly shows Colorado plateau and Appalachian boundaries, which are not apparent in upper crustal models, and also the high vP/vS fill the most of middle continental region while low vP/vS are on the west and east continental edge. In the presentation, we will show results of a new algorithm for joint Bayesian inversion of thickness and vP/vS of two-layer continental crustal structure. Recent thermodynamical modeling of geophysical models based on lab experiment data (Guerri et al., 2015) found that a large impedance contrast can be expected in the midcrust due to a phase transition that decreases plagioclase and increases clinopyroxene, without invoking any change in crustal chemistry. The depth of the transition depends on pressure, temperature and hydration, and in this presentation we will compare predictions of layer thicknesses and vP/vS predicted by mineral thermodynamics to those we observe in the USArray footprint.

Could Values and Social Structures in Singapore Facilitate Attainment of Patient-Focused, Cultural, and Linguistic Competency Standards in a Patient-Centered Medical Home Pilot?

PubMed Central

Shih, Jenny A; Shiow, Sue-Anne Toh Ee; Wee, Hwee-Lin

2015-01-01

Primary care practices in the United States are transforming into patient-centered medical homes (PCMHs) at a rapid pace. Newer PCMH standards have emphasized culturally and linguistically appropriate services (CLAS), but at this time, only some states in the United States have proposed or passed cultural competency training for health care professionals. Other countries are moving to PCMH models. Singapore, a small, ethnically diverse island nation, has national values and social structures that emphasize cultural and linguistic cohesion. In this piece, we examine Singapore’s first PCMH pilot with a national academic center and primary care practice group. Features such as common shared values, self-reliance, racial and religious harmony, patient experience surveillance, and incorporation of CLAS standards in routine health care transactions may predict success for the PCMH in Singapore, with some implications for the United States. PMID:28725822

Design of shared unit-dose drug distribution network using multi-level particle swarm optimization.

PubMed

Chen, Linjie; Monteiro, Thibaud; Wang, Tao; Marcon, Eric

2018-03-01

Unit-dose drug distribution systems provide optimal choices in terms of medication security and efficiency for organizing the drug-use process in large hospitals. As small hospitals have to share such automatic systems for economic reasons, the structure of their logistic organization becomes a very sensitive issue. In the research reported here, we develop a generalized multi-level optimization method - multi-level particle swarm optimization (MLPSO) - to design a shared unit-dose drug distribution network. Structurally, the problem studied can be considered as a type of capacitated location-routing problem (CLRP) with new constraints related to specific production planning. This kind of problem implies that a multi-level optimization should be performed in order to minimize logistic operating costs. Our results show that with the proposed algorithm, a more suitable modeling framework, as well as computational time savings and better optimization performance are obtained than that reported in the literature on this subject.

Speech motor development: Integrating muscles, movements, and linguistic units.

PubMed

Smith, Anne

2006-01-01

A fundamental problem for those interested in human communication is to determine how ideas and the various units of language structure are communicated through speaking. The physiological concepts involved in the control of muscle contraction and movement are theoretically distant from the processing levels and units postulated to exist in language production models. A review of the literature on adult speakers suggests that they engage complex, parallel processes involving many units, including sentence, phrase, syllable, and phoneme levels. Infants must develop multilayered interactions among language and motor systems. This discussion describes recent studies of speech motor performance relative to varying linguistic goals during the childhood, teenage, and young adult years. Studies of the developing interactions between speech motor and language systems reveal both qualitative and quantitative differences between the developing and the mature systems. These studies provide an experimental basis for a more comprehensive theoretical account of how mappings between units of language and units of action are formed and how they function. Readers will be able to: (1) understand the theoretical differences between models of speech motor control and models of language processing, as well as the nature of the concepts used in the two different kinds of models, (2) explain the concept of coarticulation and state why this phenomenon has confounded attempts to determine the role of linguistic units, such as syllables and phonemes, in speech production, (3) describe the development of speech motor performance skills and specify quantitative and qualitative differences between speech motor performance in children and adults, and (4) describe experimental methods that allow scientists to study speech and limb motor control, as well as compare units of action used to study non-speech and speech movements.

Mechanism of Resilin Elasticity

PubMed Central

Qin, Guokui; Hu, Xiao; Cebe, Peggy; Kaplan, David L.

2012-01-01

Resilin is critical in the flight and jumping systems of insects as a polymeric rubber-like protein with outstanding elasticity. However, insight into the underlying molecular mechanisms responsible for resilin elasticity remains undefined. Here we report the structure and function of resilin from Drosophila CG15920. A reversible beta-turn transition was identified in the peptide encoded by exon III and for full length resilin during energy input and release, features that correlate to the rapid deformation of resilin during functions in vivo. Micellar structures and nano-porous patterns formed after beta-turn structures were present via changes in either the thermal or mechanical inputs. A model is proposed to explain the super elasticity and energy conversion mechanisms of resilin, providing important insight into structure-function relationships for this protein. Further, this model offers a view of elastomeric proteins in general where beta-turn related structures serve as fundamental units of the structure and elasticity. PMID:22893127

Developing an Information Resources Management Curriculum.

ERIC Educational Resources Information Center

Montie, Irene C.

1983-01-01

Discusses the development of an Information Resources Management (IRM) curriculum by the IRM Curriculum Advisory Committee established by the Graduate School, United States Department of Agriculture. Initial activities, models proposed for the program (standards, skills, users, operational), course selection, and structural proposals considered…

Reliability of Current Biokinetic and Dosimetric Models for Radionuclides: A Pilot Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leggett, Richard Wayne; Eckerman, Keith F; Meck, Robert A.

2008-10-01

This report describes the results of a pilot study of the reliability of the biokinetic and dosimetric models currently used by the U.S. Nuclear Regulatory Commission (NRC) as predictors of dose per unit internal or external exposure to radionuclides. The study examines the feasibility of critically evaluating the accuracy of these models for a comprehensive set of radionuclides of concern to the NRC. Each critical evaluation would include: identification of discrepancies between the models and current databases; characterization of uncertainties in model predictions of dose per unit intake or unit external exposure; characterization of variability in dose per unit intakemore » or unit external exposure; and evaluation of prospects for development of more accurate models. Uncertainty refers here to the level of knowledge of a central value for a population, and variability refers to quantitative differences between different members of a population. This pilot study provides a critical assessment of models for selected radionuclides representing different levels of knowledge of dose per unit exposure. The main conclusions of this study are as follows: (1) To optimize the use of available NRC resources, the full study should focus on radionuclides most frequently encountered in the workplace or environment. A list of 50 radionuclides is proposed. (2) The reliability of a dose coefficient for inhalation or ingestion of a radionuclide (i.e., an estimate of dose per unit intake) may depend strongly on the specific application. Multiple characterizations of the uncertainty in a dose coefficient for inhalation or ingestion of a radionuclide may be needed for different forms of the radionuclide and different levels of information of that form available to the dose analyst. (3) A meaningful characterization of variability in dose per unit intake of a radionuclide requires detailed information on the biokinetics of the radionuclide and hence is not feasible for many infrequently studied radionuclides. (4) The biokinetics of a radionuclide in the human body typically represents the greatest source of uncertainty or variability in dose per unit intake. (5) Characterization of uncertainty in dose per unit exposure is generally a more straightforward problem for external exposure than for intake of a radionuclide. (6) For many radionuclides the most important outcome of a large-scale critical evaluation of databases and biokinetic models for radionuclides is expected to be the improvement of current models. Many of the current models do not fully or accurately reflect available radiobiological or physiological information, either because the models are outdated or because they were based on selective or uncritical use of data or inadequate model structures. In such cases the models should be replaced with physiologically realistic models that incorporate a wider spectrum of information.« less

Hand-Held Model of a Sarcomere to Illustrate the Sliding Filament Mechanism in Muscle Contraction

ERIC Educational Resources Information Center

Jittivadhna, Karnyupha; Ruenwongsa, Pintip; Panijpan, Bhinyo

2009-01-01

From our teaching of the contractile unit of the striated muscle, we have found limitations in using textbook illustrations of sarcomere structure and its related dynamic molecular physiological details. A hand-held model of a striated muscle sarcomere made from common items has thus been made by us to enhance students' understanding of the…

A School-to-Work Transition System for the United States. Workforce Skills Program.

ERIC Educational Resources Information Center

Tucker, Marc

The core features of the preindustrial model of school-to-work transition are needed now. An environment must be recreated in which young people see the vital connections among education, training, and work that were once so clear. The emerging consensus model has these features: combined formal schooling and structured on-the-job training leading…

The Influence of Test-Based Accountability Policies on Teacher Stress and Instructional Practices: A Moderated Mediation Model

ERIC Educational Resources Information Center

von der Embse, Nathaniel P.; Schoemann, Alexander M.; Kilgus, Stephen P.; Wicoff, Maribeth; Bowler, Mark

2017-01-01

The present study examined the use of student test performance for merit pay and teacher evaluation as predictive of both educator stress and counterproductive teaching practices, and the moderating role of perceived test value. Structural equation modelling of data from a sample of 7281 educators in a South-eastern state in the United States…

First principles-based moiré model for incommensurate graphene on BN

NASA Astrophysics Data System (ADS)

Spataru, Catalin; Thurmer, Konrad

Various properties of supported graphene films depend strongly on the exact positions of carbon atoms with respect to the underlying substrate. While density functional theory (DFT) can predict atom position in many systems, it cannot be applied straightforwardly to systems that are incommensurate or have large unit cells, such as graphene on a BN surface. We address these limitations by developing a simple moiré model with parameters derived from DFT calculations for systems strained into commensurate structures with manageable unit cell sizes. Our moiré model, which takes into account the flexural rigidity of graphene and includes the influence of the substrate, is able to reproduce the DFT-relaxed carbon positions with an accuracy of <0.01 Å. We then apply this model to the unstrained C/BN system and predict how structure and energy vary with azimuthal orientation of the graphene sheet with respect to the BN substrate. Work supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the U.S. DOE under Contract DE-AC04-94AL85000.

The renal excretion and retention of macromolecules: The chemical structure effect.

PubMed

Rypácek, F; Drobník, J; Chmelar, V; Kálal, J

1982-01-01

Five derivatives of polyaspartamide were used as macromolecular models to study the effect of chemical structure of macromolecules on their renal excretion and retention. The parent polymer was formed solely by N(2-hydroxyethyl)aspartamide units (I) and in its derivatives about 20% of 2-hydroxyethyl groups were randomly replaced by either n-butyl- (II), 2(4-hydroxyphenyl)ethyl- (III, N- dimethylamino propyl- (IV) or the aspartamide unit was modified to free aspartic acid carboxyl (V). The rate of clearance from the serum, the deposition in the kidney tissue in comparison with the deposition in reticuloendothelial system organs-liver and spleen, as well as tissue and cellular localisation of deposits were studied on rabbits and mice taking advantage of fluorescence labelling. The clearance of macromolecular models from the serum compartment by the glomerular filtration is mainly molecular weight controlled, while the retention of macromolecules possessing the same molecular weight by the kidney tubular epithelium is strongly affected chemical modification. About thirty and hundred times higher retentions due to reabsorption in proximal tubule were found with macromolecular models II and III respectively.

From spatially variable streamflow to distributed hydrological models: Analysis of key modeling decisions

NASA Astrophysics Data System (ADS)

Fenicia, Fabrizio; Kavetski, Dmitri; Savenije, Hubert H. G.; Pfister, Laurent

2016-02-01

This paper explores the development and application of distributed hydrological models, focusing on the key decisions of how to discretize the landscape, which model structures to use in each landscape element, and how to link model parameters across multiple landscape elements. The case study considers the Attert catchment in Luxembourg—a 300 km2 mesoscale catchment with 10 nested subcatchments that exhibit clearly different streamflow dynamics. The research questions are investigated using conceptual models applied at hydrologic response unit (HRU) scales (1-4 HRUs) on 6 hourly time steps. Multiple model structures are hypothesized and implemented using the SUPERFLEX framework. Following calibration, space/time model transferability is tested using a split-sample approach, with evaluation criteria including streamflow prediction error metrics and hydrological signatures. Our results suggest that: (1) models using geology-based HRUs are more robust and capture the spatial variability of streamflow time series and signatures better than models using topography-based HRUs; this finding supports the hypothesis that, in the Attert, geology exerts a stronger control than topography on streamflow generation, (2) streamflow dynamics of different HRUs can be represented using distinct and remarkably simple model structures, which can be interpreted in terms of the perceived dominant hydrologic processes in each geology type, and (3) the same maximum root zone storage can be used across the three dominant geological units with no loss in model transferability; this finding suggests that the partitioning of water between streamflow and evaporation in the study area is largely independent of geology and can be used to improve model parsimony. The modeling methodology introduced in this study is general and can be used to advance our broader understanding and prediction of hydrological behavior, including the landscape characteristics that control hydrologic response, the dominant processes associated with different landscape types, and the spatial relations of catchment processes. This article was corrected on 14 MAR 2016. See the end of the full text for details.

Experimental Research on the Dense CFB's Riser and the Simulation Based on the EMMS Model

NASA Astrophysics Data System (ADS)

Wang, X. Y.; Wang, S. D.; Fan, B. G.; Liao, L. L.; Jiang, F.; Xu, X.; Wu, X. Z.; Xiao, Y. H.

2010-03-01

The flow structure in the CFB (circulating fluidized bed) riser has been investigated. Experimental studies were performed in a cold square section unit with 270 mm×270 mm×10 m. Since the drag force model based on homogeneous two-phase flow such as the Gidaspow drag model could not depict the heterogeneous structures of the gas-solid flow, the structure-dependent energy-minimization multi-scale (EMMS) model based on the heterogenerity was applied in the paper and a revised drag force model based on the EMMS model was proposed. A 2D two-fluid model was used to simulate a bench-scale square cross-section riser of a cold CFB. The typical core-annulus structure and the back-mixing near the wall of the riser were observed and the assembly and fragmentation processes of clusters were captured. By comparing with the Gidaspow drag model, the results obtained by the revised drag model based on EMMS shows better consistency with the experimental data. The model can also depict the difference from the two exit configurations. This study once again proves the key role of drag force in CFD (Computational Fluid Dynamics) simulation and also shows the availability of the revised drag model to describe the gas-solid flow in CFB risers.

Macro policy responses to oil booms and busts in the United Arab Emirates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Mutawa, A.K.

1991-01-01

The effects of oil shocks and macro policy changes in the United Arab Emirates are analyzed. A theoretical model is developed within the framework of the Dutch Disease literature. It contains four unique features that are applicable to the United Arab Emirates' economy. There are: (1) the presence of a large foreign labor force; (2) OPEC's oil export quotas; (3) the division of oil profits; and (4) the important role of government expenditures. The model is then used to examine the welfare effects of the above-mentioned shocks. An econometric model is then specified that conforms to the analytical model. Inmore » the econometric model the method of principal components' is applied owing to the undersized sample data. The principal components methodology is used in both the identification testing and the estimation of the structural equations. The oil and macro policy shocks are then simulated. The simulation results show that an oil-quantity boom leads to a higher welfare gain than an oil-price boom. Under certain circumstances, this finding is also confirmed by the comparative statistics that follow from the analytical model.« less

The Large-scale Coronal Structure of the 2017 August 21 Great American Eclipse: An Assessment of Solar Surface Flux Transport Model Enabled Predictions and Observations

NASA Astrophysics Data System (ADS)

Nandy, Dibyendu; Bhowmik, Prantika; Yeates, Anthony R.; Panda, Suman; Tarafder, Rajashik; Dash, Soumyaranjan

2018-01-01

On 2017 August 21, a total solar eclipse swept across the contiguous United States, providing excellent opportunities for diagnostics of the Sun’s corona. The Sun’s coronal structure is notoriously difficult to observe except during solar eclipses; thus, theoretical models must be relied upon for inferring the underlying magnetic structure of the Sun’s outer atmosphere. These models are necessary for understanding the role of magnetic fields in the heating of the corona to a million degrees and the generation of severe space weather. Here we present a methodology for predicting the structure of the coronal field based on model forward runs of a solar surface flux transport model, whose predicted surface field is utilized to extrapolate future coronal magnetic field structures. This prescription was applied to the 2017 August 21 solar eclipse. A post-eclipse analysis shows good agreement between model simulated and observed coronal structures and their locations on the limb. We demonstrate that slow changes in the Sun’s surface magnetic field distribution driven by long-term flux emergence and its evolution governs large-scale coronal structures with a (plausibly cycle-phase dependent) dynamical memory timescale on the order of a few solar rotations, opening up the possibility for large-scale, global corona predictions at least a month in advance.

Employing 2D Forward Modeling of Gravity and Magnetic Data to Further Constrain the Magnitude of Extension Recorded by the Caetano Caldera, Nevada

NASA Astrophysics Data System (ADS)

Ritzinger, B. T.; Glen, J. M. G.; Athens, N. D.; Denton, K. M.; Bouligand, C.

2015-12-01

Regionally continuous Cenozoic rocks in the Basin and Range that predate the onset of major mid-Miocene extension provide valuable insight into the sequence of faulting and magnitude of extension. An exceptional example of this is Caetano caldera, located in north-central Nevada, that formed during the eruption of the Caetano Tuff at the Eocene-Oligocene transition. The caldera and associated deposits, as well as conformable caldera-filling sedimentary and volcanic units allow for the reconstruction of post Oligocene extensional faulting. Extensive mapping and geochronologic, geochemical and paleomagnetic analyses have been conducted over the last decade to help further constrain the eruptive and extensional history of the Caetano caldera and associated deposits. Gravity and magnetic data, that highlight contrasts in density and magnetic properties (susceptibility and remanence), respectively, are useful for mapping and modeling structural and lithic discontinuities. By combining existing gravity and aeromagnetic data with newly collected high-resolution gravity data, we are performing detailed potential field modeling to better characterize the subsurface within and surrounding the caldera. Modeling is constrained by published geologic map and cross sections and by new rock properties for these units determined from oriented drill core and hand samples collected from outcrops that span all of the major rock units in the study area. These models will enable us to better map the margins of the caldera and more accurately determine subsurface lithic boundaries and complex fault geometries, as well as aid in refining estimates of the magnitude of extension across the caldera. This work highlights the value in combining geologic and geophysical data to build an integrated structural model to help characterize the subsurface and better constrain the extensional tectonic history if this part of the Great Basin.

Structure Elucidation of Mixed-Linker Zeolitic Imidazolate Frameworks by Solid-State (1)H CRAMPS NMR Spectroscopy and Computational Modeling.

PubMed

Jayachandrababu, Krishna C; Verploegh, Ross J; Leisen, Johannes; Nieuwendaal, Ryan C; Sholl, David S; Nair, Sankar

2016-06-15

Mixed-linker zeolitic imidazolate frameworks (ZIFs) are nanoporous materials that exhibit continuous and controllable tunability of properties like effective pore size, hydrophobicity, and organophilicity. The structure of mixed-linker ZIFs has been studied on macroscopic scales using gravimetric and spectroscopic techniques. However, it has so far not been possible to obtain information on unit-cell-level linker distribution, an understanding of which is key to predicting and controlling their adsorption and diffusion properties. We demonstrate the use of (1)H combined rotation and multiple pulse spectroscopy (CRAMPS) NMR spin exchange measurements in combination with computational modeling to elucidate potential structures of mixed-linker ZIFs, particularly the ZIF 8-90 series. All of the compositions studied have structures that have linkers mixed at a unit-cell-level as opposed to separated or highly clustered phases within the same crystal. Direct experimental observations of linker mixing were accomplished by measuring the proton spin exchange behavior between functional groups on the linkers. The data were then fitted to a kinetic spin exchange model using proton positions from candidate mixed-linker ZIF structures that were generated computationally using the short-range order (SRO) parameter as a measure of the ordering, clustering, or randomization of the linkers. The present method offers the advantages of sensitivity without requiring isotope enrichment, a straightforward NMR pulse sequence, and an analysis framework that allows one to relate spin diffusion behavior to proposed atomic positions. We find that structures close to equimolar composition of the two linkers show a greater tendency for linker clustering than what would be predicted based on random models. Using computational modeling we have also shown how the window-type distribution in experimentally synthesized mixed-linker ZIF-8-90 materials varies as a function of their composition. The structural information thus obtained can be further used for predicting, screening, or understanding the tunable adsorption and diffusion behavior of mixed-linker ZIFs, for which the knowledge of linker distributions in the framework is expected to be important.

Constraints on crustal structure in the Southeastern United States from the SUGAR 2 refraction seismic refraction experiment

NASA Astrophysics Data System (ADS)

Marzen, R. E.; Shillington, D. J.; Lizarralde, D.; Harder, S. H.

2016-12-01

The Southeastern United States is an ideal location to study the interactions between continental collision, extensive but short-lived magmatism, and continental rifting. Continental collision during the Alleghenian Orogeny ( 290 Ma) formed the supercontinent Pangea. Extension leading to the breakup of Pangea began 230 Ma, forming the South Georgia Basin and other rift basins. The extensive Central Atlantic Magmatic Province (CAMP) magmatism was emplaced at 200 Ma, and continental separation occurred afterwards. During these processes, part of the African continent was added to North America. Prior work has raised questions including (1) the location and geometry of the suture zone and implications for the style of collision (thin-skinned versus thick-skinned), (2) the role of pre-existing structures on later rifting, and (3) the distribution of magmatism, and possible relationships between magmatism and rifting. To address these questions, we present preliminary velocity models for the 400-km-long refraction seismic line from the SUwanee Suture and GA Rift basin experiment (SUGAR) Line 2. This line is central to CAMP magmatism, and crosses the South Georgia rift basin and two hypothesized locations for the ancient suture zone. The data were collected in August 2015 by a team of over 40 students and scientists. Fifteen shots spaced at 20-40 km were recorded by 1981 Texans spaced at 250 m. We observe refractions from the basin, crust, and upper mantle, and wide-angle reflections from the base of the sediments, within the crust, and from the Moho. Prominent mid crustal reflections may arise from the top of elevated lower crustal velocities and possible lower crustal layering. The starting velocity model and constraints on the upper sedimentary basin velocity structure are obtained through forward modeling, which show basin sediment thickness increasing to the South. We then invert for smooth 2D velocity structure using first arrivals (FAST) and a layered velocity model using refractions and reflections (RAYINVR) to evaluate the crust and upper mantle velocity structure. Model results will be compared to other geological and geophysical data, including the roughly parallel SUGAR Line 1, to examine along-strike changes in rift structure, suture structure, and evidence of magmatism.

Structure of (Ga2O3)2(ZnO)13 and a unified description of the homologous series (Ga2O3)2(ZnO)(2n + 1).

PubMed

Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao

2012-06-01

The structure of (Ga(2)O(3))(2)(ZnO)(13) has been determined by a single-crystal X-ray diffraction technique. In the monoclinic structure of the space group C2/m with cell parameters a = 19.66 (4), b = 3.2487 (5), c = 27.31 (2) Å, and β = 105.9 (1)°, a unit cell is constructed by combining the halves of the unit cell of Ga(2)O(3)(ZnO)(6) and Ga(2)O(3)(ZnO)(7) in the homologous series Ga(2)O(3)(ZnO)(m). The homologous series (Ga(2)O(3))(2)(ZnO)(2n + 1) is derived and a unified description for structures in the series is presented using the (3+1)-dimensional superspace formalism. The phases are treated as compositely modulated structures consisting of two subsystems. One is constructed by metal ions and another is by O ions. In the (3 + 1)-dimensional model, displacive modulations of ions are described by the asymmetric zigzag function with large amplitudes, which was replaced by a combination of the sawtooth function in refinements. Similarities and differences between the two homologous series (Ga(2)O(3))(2)(ZnO)(2n + 1) and Ga(2)O(3)(ZnO)(m) are clarified in (3 + 1)-dimensional superspace. The validity of the (3 + 1)-dimensional model is confirmed by the refinements of (Ga(2)O(3))(2)(ZnO)(13), while a few complex phenomena in the real structure are taken into account by modifying the model.

Knot soliton in DNA and geometric structure of its free-energy density.

PubMed

Wang, Ying; Shi, Xuguang

2018-03-01

In general, the geometric structure of DNA is characterized using an elastic rod model. The Landau model provides us a new theory to study the geometric structure of DNA. By using the decomposition of the arc unit in the helical axis of DNA, we find that the free-energy density of DNA is similar to the free-energy density of a two-condensate superconductor. By using the φ-mapping topological current theory, the torus knot soliton hidden in DNA is demonstrated. We show the relation between the geometric structure and free-energy density of DNA and the Frenet equations in differential geometry theory are considered. Therefore, the free-energy density of DNA can be expressed by the curvature and torsion of the helical axis.

A Kinetic Study of DDGS Hemicellulose Acid Hydrolysis and NMR Characterization of DDGS Hydrolysate.

PubMed

Chen, Hanchi; Liu, Shijie

2015-09-01

Liquid hot water (LHW) extraction was used as a pretreatment method to separate the hemicellulose fraction from dried distiller's grain with solubles (DDGS) into liquid phase. Acid hydrolysis using 3.264 % w/w sulfuric acid at 130 °C was performed to convert polysaccharides in LHW extract to monosaccharides. The structure characterization of DDGS in anomeric carbon region based on proton NMR and heteronuclear single quantum coherence (HSQC) during acid hydrolysis was studied in this work. It reveals that the sugar units in DDGS hemicelluloses are constructed with (1-4)-β-D-xylopyranose and α-L-arabinofuranosyl residues. A kinetic model is included to explain the changing concentration of monomer, oligomer, and sugar units. The model was further tested based on the changing concentration of five carbon sugar units during hydrolysis.

Constraining the composition and geological history of the main types of terrains found in the equatorial belt of Titan

NASA Astrophysics Data System (ADS)

Brossier, J. F.; Rodriguez, S.; Cornet, T.; Maltagliati, L.; Lucas, A.; Le Mouélic, S.; Solomonidou, A.; Coustenis, A.; Hirtzig, M.; Jaumann, R.; Stephan, K.; Brown, R. H.

2017-09-01

Over these twelve past years, near-IR imaging data from the Visual and Infrared Mapping Spectrometer (VIMS) onboard Cassini gave significant hints on the spectroscopic and geological diversity of the terrains on Titan's surface. The composition of those terrains still remains unconfirmed yet. Nonetheless, by applying a newly updated radiative transfer model, we provide excellent constraints on the composition and structure for the main IR-units present in the equatorial regions (±40˚N/S). Indeed, by combining this method of correction with a spectral mixing model for water ice and tholins, we determine the main chemical species present within IR-units and relate them to the observed geomorphology. We therefore propose a scenario that could lead to the current distribution of the IR-units.

Effects of porosity distribution and porosity volume fraction on the electromechanical properties of 3-3 piezoelectric foams

NASA Astrophysics Data System (ADS)

Nguyen, B. V.; Challagulla, K. S.; Venkatesh, T. A.; Hadjiloizi, D. A.; Georgiades, A. V.

2016-12-01

Unit-cell based finite element models are developed to completely characterize the role of porosity distribution and porosity volume fraction in determining the elastic, dielectric and piezoelectric properties as well as relevant figures of merit of 3-3 type piezoelectric foam structures. Eight classes of foam structures which represent structures with different types and degrees of uniformity of porosity distribution are identified; a Base structure (Class I), two H-type foam structures (Classes II, and III), a Cross-type foam structure (Class IV) and four Line-type foam structures (Classes V, VI, VII, and VIII). Three geometric factors that influence the electromechanical properties are identified: (i) the number of pores per face, pore size and the distance between the pores; (ii) pore orientation with respect to poling direction; (iii) the overall symmetry of the pore distribution with respect to the center of the face of the unit cell. To assess the suitability of these structures for such applications as hydrophones, bone implants, medical imaging and diagnostic devices, five figures of merit are determined via the developed finite element model; the piezoelectric coupling constant (K t ), the acoustic impedance (Z), the piezoelectric charge coefficient (d h ), the hydrostatic voltage coefficient (g h ), and the hydrostatic figure of merit (d h g h ). At high material volume fractions, foams with non-uniform Line-type porosity (Classes V and VII) where the pores are preferentially distributed perpendicular to poling direction, are found to exhibit the best combination of desirable piezoelectric figures of merit. For example, at about 50% volume fraction, the d h , g h , and d h g h figures of merit are 55%, 1600% and 2500% higher, respectively, for Classes V and VII of Line-like foam structures compared with the Base structure.

Investigating Uncertainty and Sensitivity in Integrated, Multimedia Environmental Models: Tools for FRAMES-3MRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babendreier, Justin E.; Castleton, Karl J.

2005-08-01

Elucidating uncertainty and sensitivity structures in environmental models can be a difficult task, even for low-order, single-medium constructs driven by a unique set of site-specific data. Quantitative assessment of integrated, multimedia models that simulate hundreds of sites, spanning multiple geographical and ecological regions, will ultimately require a comparative approach using several techniques, coupled with sufficient computational power. The Framework for Risk Analysis in Multimedia Environmental Systems - Multimedia, Multipathway, and Multireceptor Risk Assessment (FRAMES-3MRA) is an important software model being developed by the United States Environmental Protection Agency for use in risk assessment of hazardous waste management facilities. The 3MRAmore » modeling system includes a set of 17 science modules that collectively simulate release, fate and transport, exposure, and risk associated with hazardous contaminants disposed of in land-based waste management units (WMU) .« less

The relationships between deformation mechanisms and mechanical properties of additively manufactured porous biomaterials.

PubMed

Kadkhodapour, J; Montazerian, H; Darabi, A Ch; Zargarian, A; Schmauder, S

2017-06-01

Modulating deformation mechanism through manipulating morphological parameters of scaffold internal pore architecture provides potential to tailor the overall mechanical properties under physiological loadings. Whereas cells sense local strains, cell differentiation is also impressed by the elastic deformations. In this paper, structure-property relations were developed for Ti6-Al-4V scaffolds designed based on triply periodic minimal surfaces. 10mm cubic scaffolds composed of 5×5×5 unit cells formed of F-RD (bending dominated) and I-WP (stretching dominated) architectures were additively manufactured at different volume fractions and subjected to compressive tests. The first stages of deformation for stretching dominated structure, was accompanied by bilateral layer-by-layer failure of unit cells owing to the buckling of micro-struts, while for bending dominated structure, namely F-RD, global shearing bands appeared since the shearing failure of struts in the internal architecture. Promoted mechanical properties were found for stretching dominated structure since the global orientation of struts were parallel to loading direction while inclination of struts diminished specific properties for bending dominated structure. Moreover, elastic-plastic deformation was computationally studied by applying Johnson-Cook damage model to the voxel-based models in FE analysis. Scaling analysis was performed for mechanical properties with respect to the relative density thereby failure mechanism was correlated to the constants of power law describing mechanical properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

Validation of the French version of the Hospital Survey on Patient Safety Culture questionnaire.

PubMed

Occelli, P; Quenon, J-L; Kret, M; Domecq, S; Delaperche, F; Claverie, O; Castets-Fontaine, B; Amalberti, R; Auroy, Y; Parneix, P; Michel, P

2013-09-01

To assess the psychometric properties of the French version of the Hospital Survey on Patient Safety Culture questionnaire (HSOPSC) and study the hierarchical structure of the measured dimensions. Cross-sectional survey of the safety culture. 18 acute care units of seven hospitals in South-western France. Full- and part-time healthcare providers who worked in the units. None. Item responses measured with 5-point agreement or frequency scales. Data analyses A principal component analysis was used to identify the emerging components. Two structural equation modeling methods [LInear Structural RELations (LISREL) and Partial Least Square (PLS)] were used to verify the model and to study the relative importance of the dimensions. Internal consistency of the retained dimensions was studied. A test-retest was performed to assess reproducibility of the items. Overall response rate was 77% (n = 401). A structure in 40 items grouped in 10 dimensions was proposed. The LISREL approach showed acceptable data fit of the proposed structure. The PLS approach indicated that three dimensions had the most impact on the safety culture: 'Supervisor/manager expectations & actions promoting safety' 'Organizational learning-continuous improvement' and 'Overall perceptions of safety'. Internal consistency was above 0.70 for six dimensions. Reproducibility was considered good for four items. The French HSOPSC questionnaire showed acceptable psychometric properties. Classification of the dimensions should guide future development of safety culture improving action plans.

The influence of the long-range order on the vibrational spectra of structures based on sodalite cage.

PubMed

Mikuła, A; Król, M; Koleżyński, A

2015-06-05

Zeolites are a group of tecto-aluminosilicates with numerous practical applications, e.g. gas separators, molecular sieves and sorbents. The unique properties result from porous structure of channels and cages which are built from smaller units - the so-called Secondary Building Units (SBU), and sometimes also larger groups (Breck, 1974; Ciciszwili et al., 1974; Mozgawa, 2008; Čejka and van Bekkum, 2005). The aim of this study was the examination of the influence of long-range order on vibrational spectra of sodalite and zeolite A. Ab initio calculations (geometry optimizations and vibrational spectra calculations) of sodalite cage and selected SBU were carried out by means of Gaussian09 (Frisch et al., 2009) (in the case of isolated clusters) and Crystal09 (Dovesi et al., 2005, 2009) (for periodic structures). The obtained results were compared with the experimental spectra of sodalite and zeolite A crystal structures, synthesized under hydrothermal conditions. These results allowed analyzing of the long-range ordering influence on the vibrational spectra, as well as the identification of the characteristic vibrations in β cage based frameworks. It has been found, that based on small structural fragment (SBU) models a characteristic vibrations can be identify. However, full spectra analysis and especially the interpretation of far-infrared region of the spectra require using periodic models under the influence of translational crystal lattice. Copyright © 2015 Elsevier B.V. All rights reserved.

Seismic model study of Patrick Draw field, Wyoming: a stratigraphic trap in the Upper Cretaceous Almond Formation

USGS Publications Warehouse

Anderson, Robert C.; Ryder, Robert T.

1978-01-01

The Patrick Draw field, located on the eastern flank of the Rock Springs uplift in the Washakie basin of southwestern Wyoming, was discovered in 1959 without the use of geophysical methods. The field is a classic example of a stratigraphic trap, where Upper Cretaceous porous sandstone units pinch out on a structural nose. Two-dimensional seismic modeling was used to construct the seismic waveform expressions of the Patrick Draw field, and to better understand how to explore for other 'Patrick Draw' fields. Interpretation of the model shows that the detection of the reservoir sand is very difficult, owing to a combination of acoustic contrasts and bed thickness. Because the model included other major stratigraphic units in the subsurface, several stratigraphic traps are suggested as potential exploration targets.

Mechanism for circularization of linear DNAs: circular parvovirus MVM DNA is formed by a "noose" sliding in a "lasso"-like DNA structure.

PubMed

Bratosin, S; Laub, O; Tal, J; Aloni, Y

1979-09-01

During an electron-microscopic survey with the aim of identifying the parvovirus MVM transcription template, we observed previously unidentified structures of MVM DNA in lysates of virus-infected cells. These included double-stranded "lasso"-like structures and relaxed circles. Both structures were of unit length MVM DNA, indicating that they were not intermediates formed during replication; they each represented about 5% of the total nuclear MVM DNA. The proportion of these structures was unchanged after digestion with sodium dodecyl sulfate/Pronase and RNase and after mild denaturation treatment. Cleavage of the "lasso" structures with EcoRI restriction endonuclease indicated that the "noose" part of the "lasso" structure is located on the 5' side of the genomic single-stranded MVM DNA. A model is presented for the molecular nature of the circularization process of MVM DNA in which the "lasso" structures are identified as intermediates during circle formation. This model proposes a mechanism for circularization of linear DNAs.

Airways, vasculature, and interstitial tissue: anatomically informed computational modeling of human lungs for virtual clinical trials

NASA Astrophysics Data System (ADS)

Abadi, Ehsan; Sturgeon, Gregory M.; Agasthya, Greeshma; Harrawood, Brian; Hoeschen, Christoph; Kapadia, Anuj; Segars, W. P.; Samei, Ehsan

2017-03-01

This study aimed to model virtual human lung phantoms including both non-parenchymal and parenchymal structures. Initial branches of the non-parenchymal structures (airways, arteries, and veins) were segmented from anatomical data in each lobe separately. A volume-filling branching algorithm was utilized to grow the higher generations of the airways and vessels to the level of terminal branches. The diameters of the airways and vessels were estimated using established relationships between flow rates and diameters. The parenchyma was modeled based on secondary pulmonary lobule units. Polyhedral shapes with variable sizes were modeled, and the borders were assigned to interlobular septa. A heterogeneous background was added inside these units using a non-parametric texture synthesis algorithm which was informed by a high-resolution CT lung specimen dataset. A voxelized based CT simulator was developed to create synthetic helical CT images of the phantom with different pitch values. Results showed the progressive degradation in depiction of lung details with increased pitch. Overall, the enhanced lung models combined with the XCAT phantoms prove to provide a powerful toolset to perform virtual clinical trials in the context of thoracic imaging. Such trials, not practical using clinical datasets or simplistic phantoms, can quantitatively evaluate and optimize advanced imaging techniques towards patient-based care.

Extra! Extra! Read All about It!: Structuring the U.S. History Survey around the Motif of the Newspaper

ERIC Educational Resources Information Center

Morin, Erica A.

2013-01-01

As a graduate instructor for HIST 152: United States Since 1877, the author structures the entire course around the motif of the newspaper. She models her curriculum after the newspaper both visually and symbolically and uses it as a theme throughout the class. The newspaper is not a gimmick or cliche, but rather a recurring stylistic theme, an…

United States Air Force Graduate Student Research Program. Program Management Report

DTIC Science & Technology

1988-12-01

PRELIMINARY STRUCTURAL DESIGN/OPTIMIZATION by Richard A. Swift ABSTRACT Finite element analysis for use in structural design has advanced to the point where...Plates Subjected Gregory Schoeppner to Low Velocity Impact *** Same Report as Prof. William Wolfe * 57 Finite Element Analysis for Preliminary Richard...and dynamic load conditions using both radial and bias- ply tires. A detailed three-dimensional finite - element model of the wheel was generated for

Obtaining valid geologic models from 3-D resistivity inversion of magnetotelluric data at Pahute Mesa, Nevada

USGS Publications Warehouse

Rodriguez, Brian D.; Sweetkind, Donald S.

2015-01-01

The 3-D inversion was generally able to reproduce the gross resistivity structure of the “known” model, but the simulated conductive volcanic composite unit horizons were often too shallow when compared to the “known” model. Additionally, the chosen computation parameters such as station spacing appear to have resulted in computational artifacts that are difficult to interpret but could potentially be removed with further refinements of the 3-D resistivity inversion modeling technique.

Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

ERIC Educational Resources Information Center

Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

2010-01-01

A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key…

DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs.

PubMed

Chodkiewicz, Michał L; Migacz, Szymon; Rudnicki, Witold; Makal, Anna; Kalinowski, Jarosław A; Moriarty, Nigel W; Grosse-Kunstleve, Ralf W; Afonine, Pavel V; Adams, Paul D; Dominiak, Paulina Maria

2018-02-01

It has been recently established that the accuracy of structural parameters from X-ray refinement of crystal structures can be improved by using a bank of aspherical pseudoatoms instead of the classical spherical model of atomic form factors. This comes, however, at the cost of increased complexity of the underlying calculations. In order to facilitate the adoption of this more advanced electron density model by the broader community of crystallographers, a new software implementation called DiSCaMB , 'densities in structural chemistry and molecular biology', has been developed. It addresses the challenge of providing for high performance on modern computing architectures. With parallelization options for both multi-core processors and graphics processing units (using CUDA), the library features calculation of X-ray scattering factors and their derivatives with respect to structural parameters, gives access to intermediate steps of the scattering factor calculations (thus allowing for experimentation with modifications of the underlying electron density model), and provides tools for basic structural crystallographic operations. Permissively (MIT) licensed, DiSCaMB is an open-source C++ library that can be embedded in both academic and commercial tools for X-ray structure refinement.

Numerical simulation on the adaptation of forms in trabecular bone to mechanical disuse and basic multi-cellular unit activation threshold at menopause

NASA Astrophysics Data System (ADS)

Gong, He; Fan, Yubo; Zhang, Ming

2008-04-01

The objective of this paper is to identify the effects of mechanical disuse and basic multi-cellular unit (BMU) activation threshold on the form of trabecular bone during menopause. A bone adaptation model with mechanical- biological factors at BMU level was integrated with finite element analysis to simulate the changes of trabecular bone structure during menopause. Mechanical disuse and changes in the BMU activation threshold were applied to the model for the period from 4 years before to 4 years after menopause. The changes in bone volume fraction, trabecular thickness and fractal dimension of the trabecular structures were used to quantify the changes of trabecular bone in three different cases associated with mechanical disuse and BMU activation threshold. It was found that the changes in the simulated bone volume fraction were highly correlated and consistent with clinical data, and that the trabecular thickness reduced significantly during menopause and was highly linearly correlated with the bone volume fraction, and that the change trend of fractal dimension of the simulated trabecular structure was in correspondence with clinical observations. The numerical simulation in this paper may help to better understand the relationship between the bone morphology and the mechanical, as well as biological environment; and can provide a quantitative computational model and methodology for the numerical simulation of the bone structural morphological changes caused by the mechanical environment, and/or the biological environment.

Finite element modeling approach and performance evaluation of fiber reinforced polymer sandwich bridge panels : summary.

DOT National Transportation Integrated Search

2009-08-01

In the United States, about 27% of the bridges are classified as structurally deficient or functionally obsolete. Bridge owners are continually investigating methods to effectively retrofit existing bridges, or to economically replace them with new o...

Finite element modeling approach and performance evaluation of fiber reinforced polymer sandwich bridge panels : final report.

DOT National Transportation Integrated Search

2009-08-01

In the United States, about 27% of the bridges are classified as structurally deficient or functionally obsolete. : Bridge owners are continually investigating methods to effectively retrofit existing bridges, or to economically replace : them with n...

Shape optimization of solid-air porous phononic crystal slabs with widest full 3D bandgap for in-plane acoustic waves

NASA Astrophysics Data System (ADS)

D'Alessandro, Luca; Bahr, Bichoy; Daniel, Luca; Weinstein, Dana; Ardito, Raffaele

2017-09-01

The use of Phononic Crystals (PnCs) as smart materials in structures and microstructures is growing due to their tunable dynamical properties and to the wide range of possible applications. PnCs are periodic structures that exhibit elastic wave scattering for a certain band of frequencies (called bandgap), depending on the geometric and material properties of the fundamental unit cell of the crystal. PnCs slabs can be represented by plane-extruded structures composed of a single material with periodic perforations. Such a configuration is very interesting, especially in Micro Electro-Mechanical Systems industry, due to the easy fabrication procedure. A lot of topologies can be found in the literature for PnCs with square-symmetric unit cell that exhibit complete 2D bandgaps; however, due to the application demand, it is desirable to find the best topologies in order to guarantee full bandgaps referred to in-plane wave propagation in the complete 3D structure. In this work, by means of a novel and fast implementation of the Bidirectional Evolutionary Structural Optimization technique, shape optimization is conducted on the hole shape obtaining several topologies, also with non-square-symmetric unit cell, endowed with complete 3D full bandgaps for in-plane waves. Model order reduction technique is adopted to reduce the computational time in the wave dispersion analysis. The 3D features of the PnC unit cell endowed with the widest full bandgap are then completely analyzed, paying attention to engineering design issues.

Distribution and Evolution of Yersinia Leucine-Rich Repeat Proteins

PubMed Central

Hu, Yueming; Huang, He; Hui, Xinjie; Cheng, Xi; White, Aaron P.

2016-01-01

Leucine-rich repeat (LRR) proteins are widely distributed in bacteria, playing important roles in various protein-protein interaction processes. In Yersinia, the well-characterized type III secreted effector YopM also belongs to the LRR protein family and is encoded by virulence plasmids. However, little has been known about other LRR members encoded by Yersinia genomes or their evolution. In this study, the Yersinia LRR proteins were comprehensively screened, categorized, and compared. The LRR proteins encoded by chromosomes (LRR1 proteins) appeared to be more similar to each other and different from those encoded by plasmids (LRR2 proteins) with regard to repeat-unit length, amino acid composition profile, and gene expression regulation circuits. LRR1 proteins were also different from LRR2 proteins in that the LRR1 proteins contained an E3 ligase domain (NEL domain) in the C-terminal region or an NEL domain-encoding nucleotide relic in flanking genomic sequences. The LRR1 protein-encoding genes (LRR1 genes) varied dramatically and were categorized into 4 subgroups (a to d), with the LRR1a to -c genes evolving from the same ancestor and LRR1d genes evolving from another ancestor. The consensus and ancestor repeat-unit sequences were inferred for different LRR1 protein subgroups by use of a maximum parsimony modeling strategy. Structural modeling disclosed very similar repeat-unit structures between LRR1 and LRR2 proteins despite the different unit lengths and amino acid compositions. Structural constraints may serve as the driving force to explain the observed mutations in the LRR regions. This study suggests that there may be functional variation and lays the foundation for future experiments investigating the functions of the chromosomally encoded LRR proteins of Yersinia. PMID:27217422

Gamma ray irradiated silicon nanowires: An effective model to investigate defects at the interface of Si/SiOx

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, Kui; Zhao, Yi; Liu, Liangbin

2014-01-20

The effect of gamma ray irradiation on silicon nanowires was investigated. Here, an additional defect emerged in the gamma-ray-irradiated silicon nanowires and was confirmed with electron spin resonance spectra. {sup 29}Si nuclear magnetic resonance spectroscopy showed that irradiation doses had influence on the Q{sup 4} unit structure. This phenomenon indicated that the unique core/shell structure of silicon nanowires might contribute to induce metastable defects under gamma ray irradiation, which served as a satisfactory model to investigate defects at the interface of Si/SiOx.

Compressive Loading and Modeling of Stitched Composite Stiffeners

NASA Technical Reports Server (NTRS)

Leone, Frank A., Jr.; Jegley, Dawn C.; Linton, Kim A.

2016-01-01

A series of single-frame and single-stringer compression tests were conducted at NASA Langley Research Center on specimens harvested from a large panel built using the Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) concept. Different frame and stringer designs were used in fabrication of the PRSEUS panel. In this paper, the details of the experimental testing of single-frame and single-stringer compression specimens are presented, as well as discussions on the performance of the various structural configurations included in the panel. Nonlinear finite element models were developed to further understand the failure processes observed during the experimental campaign.

Identifying Corridors among Large Protected Areas in the United States

PubMed Central

Belote, R. Travis; Dietz, Matthew S.; McRae, Brad H.; Theobald, David M.; McClure, Meredith L.; Irwin, G. Hugh; McKinley, Peter S.; Gage, Josh A.; Aplet, Gregory H.

2016-01-01

Conservation scientists emphasize the importance of maintaining a connected network of protected areas to prevent ecosystems and populations from becoming isolated, reduce the risk of extinction, and ultimately sustain biodiversity. Keeping protected areas connected in a network is increasingly recognized as a conservation priority in the current era of rapid climate change. Models that identify suitable linkages between core areas have been used to prioritize potentially important corridors for maintaining functional connectivity. Here, we identify the most “natural” (i.e., least human-modified) corridors between large protected areas in the contiguous Unites States. We aggregated results from multiple connectivity models to develop a composite map of corridors reflecting agreement of models run under different assumptions about how human modification of land may influence connectivity. To identify which land units are most important for sustaining structural connectivity, we used the composite map of corridors to evaluate connectivity priorities in two ways: (1) among land units outside of our pool of large core protected areas and (2) among units administratively protected as Inventoried Roadless (IRAs) or Wilderness Study Areas (WSAs). Corridor values varied substantially among classes of “unprotected” non-core land units, and land units of high connectivity value and priority represent diverse ownerships and existing levels of protections. We provide a ranking of IRAs and WSAs that should be prioritized for additional protection to maintain minimal human modification. Our results provide a coarse-scale assessment of connectivity priorities for maintaining a connected network of protected areas. PMID:27104683

Identifying Corridors among Large Protected Areas in the United States.

PubMed

Belote, R Travis; Dietz, Matthew S; McRae, Brad H; Theobald, David M; McClure, Meredith L; Irwin, G Hugh; McKinley, Peter S; Gage, Josh A; Aplet, Gregory H

2016-01-01

Conservation scientists emphasize the importance of maintaining a connected network of protected areas to prevent ecosystems and populations from becoming isolated, reduce the risk of extinction, and ultimately sustain biodiversity. Keeping protected areas connected in a network is increasingly recognized as a conservation priority in the current era of rapid climate change. Models that identify suitable linkages between core areas have been used to prioritize potentially important corridors for maintaining functional connectivity. Here, we identify the most "natural" (i.e., least human-modified) corridors between large protected areas in the contiguous Unites States. We aggregated results from multiple connectivity models to develop a composite map of corridors reflecting agreement of models run under different assumptions about how human modification of land may influence connectivity. To identify which land units are most important for sustaining structural connectivity, we used the composite map of corridors to evaluate connectivity priorities in two ways: (1) among land units outside of our pool of large core protected areas and (2) among units administratively protected as Inventoried Roadless (IRAs) or Wilderness Study Areas (WSAs). Corridor values varied substantially among classes of "unprotected" non-core land units, and land units of high connectivity value and priority represent diverse ownerships and existing levels of protections. We provide a ranking of IRAs and WSAs that should be prioritized for additional protection to maintain minimal human modification. Our results provide a coarse-scale assessment of connectivity priorities for maintaining a connected network of protected areas.

New paradigms in internal architecture design and freeform fabrication of tissue engineering porous scaffolds.

PubMed

Yoo, Dongjin

2012-07-01

Advanced additive manufacture (AM) techniques are now being developed to fabricate scaffolds with controlled internal pore architectures in the field of tissue engineering. In general, these techniques use a hybrid method which combines computer-aided design (CAD) with computer-aided manufacturing (CAM) tools to design and fabricate complicated three-dimensional (3D) scaffold models. The mathematical descriptions of micro-architectures along with the macro-structures of the 3D scaffold models are limited by current CAD technologies as well as by the difficulty of transferring the designed digital models to standard formats for fabrication. To overcome these difficulties, we have developed an efficient internal pore architecture design system based on triply periodic minimal surface (TPMS) unit cell libraries and associated computational methods to assemble TPMS unit cells into an entire scaffold model. In addition, we have developed a process planning technique based on TPMS internal architecture pattern of unit cells to generate tool paths for freeform fabrication of tissue engineering porous scaffolds. Copyright © 2012 IPEM. Published by Elsevier Ltd. All rights reserved.

Ground-motion modeling of the 1906 San Francisco earthquake, part I: Validation using the 1989 Loma Prieta earthquake

USGS Publications Warehouse

Aagaard, Brad T.; Brocher, T.M.; Dolenc, D.; Dreger, D.; Graves, R.W.; Harmsen, S.; Hartzell, S.; Larsen, S.; Zoback, M.L.

2008-01-01

We compute ground motions for the Beroza (1991) and Wald et al. (1991) source models of the 1989 magnitude 6.9 Loma Prieta earthquake using four different wave-propagation codes and recently developed 3D geologic and seismic velocity models. In preparation for modeling the 1906 San Francisco earthquake, we use this well-recorded earthquake to characterize how well our ground-motion simulations reproduce the observed shaking intensities and amplitude and durations of recorded motions throughout the San Francisco Bay Area. All of the simulations generate ground motions consistent with the large-scale spatial variations in shaking associated with rupture directivity and the geologic structure. We attribute the small variations among the synthetics to the minimum shear-wave speed permitted in the simulations and how they accommodate topography. Our long-period simulations, on average, under predict shaking intensities by about one-half modified Mercalli intensity (MMI) units (25%-35% in peak velocity), while our broadband simulations, on average, under predict the shaking intensities by one-fourth MMI units (16% in peak velocity). Discrepancies with observations arise due to errors in the source models and geologic structure. The consistency in the synthetic waveforms across the wave-propagation codes for a given source model suggests the uncertainty in the source parameters tends to exceed the uncertainty in the seismic velocity structure. In agreement with earlier studies, we find that a source model with slip more evenly distributed northwest and southeast of the hypocenter would be preferable to both the Beroza and Wald source models. Although the new 3D seismic velocity model improves upon previous velocity models, we identify two areas needing improvement. Nevertheless, we find that the seismic velocity model and the wave-propagation codes are suitable for modeling the 1906 earthquake and scenario events in the San Francisco Bay Area.

Three-dimensional geologic framework modeling of faulted hydrostratigraphic units within the Edwards Aquifer, Northern Bexar County, Texas

USGS Publications Warehouse

Pantea, Michael P.; Cole, James C.

2004-01-01

This report describes a digital, three-dimensional faulted hydrostratigraphic model constructed to represent the geologic framework of the Edwards aquifer system in the area of San Antonio, northern Bexar County, Texas. The model is based on mapped geologic relationships that reflect the complex structures of the Balcones fault zone, detailed lithologic descriptions and interpretations of about 40 principal wells (and qualified data from numerous other wells), and a conceptual model of the gross geometry of the Edwards Group units derived from prior interpretations of depositional environments and paleogeography. The digital model depicts the complicated intersections of numerous major and minor faults in the subsurface, as well as their individual and collective impacts on the continuity of the aquifer-forming units of the Edwards Group and the Georgetown Formation. The model allows for detailed examination of the extent of fault dislocation from place to place, and thus the extent to which the effective cross-sectional area of the aquifer is reduced by faulting. The model also depicts the internal hydrostratigraphic subdivisions of the Edwards aquifer, consisting of three major and eight subsidiary hydrogeologic units. This geologic framework model is useful for visualizing the geologic structures within the Balcones fault zone and the interactions of en-echelon fault strands and flexed connecting fault-relay ramps. The model also aids in visualizing the lateral connections between hydrostratigraphic units of relatively high and low permeability across the fault strands. Introduction The Edwards aquifer is the principal source of water for municipal, agricultural, industrial, and military uses by nearly 1.5 million inhabitants of the greater San Antonio, Texas, region (Hovorka and others, 1996; Sharp and Banner, 1997). Discharges from the Edwards aquifer also support local recreation and tourism industries at Barton, Comal, and San Marcos Springs located northeast of San Antonio (Barker and others, 1994), as well as base flow for agricultural applications farther downstream. Average annual discharge from large springs (Comal, San Marcos, Hueco, and others) from the Edwards aquifer was about 365,000 acre-ft from 1934 to1998, with sizeable fluctuations related to annual variations in rainfall. Withdrawals through pumping have increased steadily from about 250,000 acre-ft during the 1960s to over 400,000 acre-ft in the 1990s in response to population growth, especially in the San Antonio metropolitan area (Slattery and Brown, 1999). Average annual recharge to the system (determined through stream gaging) has also varied considerably with annual rainfall fluctuations, but has been about 635,000 acre-ft over the last several decades.

Nonparametric Combinatorial Sequence Models

NASA Astrophysics Data System (ADS)

Wauthier, Fabian L.; Jordan, Michael I.; Jojic, Nebojsa

This work considers biological sequences that exhibit combinatorial structures in their composition: groups of positions of the aligned sequences are "linked" and covary as one unit across sequences. If multiple such groups exist, complex interactions can emerge between them. Sequences of this kind arise frequently in biology but methodologies for analyzing them are still being developed. This paper presents a nonparametric prior on sequences which allows combinatorial structures to emerge and which induces a posterior distribution over factorized sequence representations. We carry out experiments on three sequence datasets which indicate that combinatorial structures are indeed present and that combinatorial sequence models can more succinctly describe them than simpler mixture models. We conclude with an application to MHC binding prediction which highlights the utility of the posterior distribution induced by the prior. By integrating out the posterior our method compares favorably to leading binding predictors.

PropBase Query Layer: a single portal to UK subsurface physical property databases

NASA Astrophysics Data System (ADS)

Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

2013-04-01

Until recently, the delivery of geological information for industry and public was achieved by geological mapping. Now pervasively available computers mean that 3D geological models can deliver realistic representations of the geometric location of geological units, represented as shells or volumes. The next phase of this process is to populate these with physical properties data that describe subsurface heterogeneity and its associated uncertainty. Achieving this requires capture and serving of physical, hydrological and other property information from diverse sources to populate these models. The British Geological Survey (BGS) holds large volumes of subsurface property data, derived both from their own research data collection and also other, often commercially derived data sources. This can be voxelated to incorporate this data into the models to demonstrate property variation within the subsurface geometry. All property data held by BGS has for many years been stored in relational databases to ensure their long-term continuity. However these have, by necessity, complex structures; each database contains positional reference data and model information, and also metadata such as sample identification information and attributes that define the source and processing. Whilst this is critical to assessing these analyses, it also hugely complicates the understanding of variability of the property under assessment and requires multiple queries to study related datasets making extracting physical properties from these databases difficult. Therefore the PropBase Query Layer has been created to allow simplified aggregation and extraction of all related data and its presentation of complex data in simple, mostly denormalized, tables which combine information from multiple databases into a single system. The structure from each relational database is denormalized in a generalised structure, so that each dataset can be viewed together in a common format using a simple interface. Data are re-engineered to facilitate easy loading. The query layer structure comprises tables, procedures, functions, triggers, views and materialised views. The structure contains a main table PRB_DATA which contains all of the data with the following attribution: • a unique identifier • the data source • the unique identifier from the parent database for traceability • the 3D location • the property type • the property value • the units • necessary qualifiers • precision information and an audit trail Data sources, property type and units are constrained by dictionaries, a key component of the structure which defines what properties and inheritance hierarchies are to be coded and also guides the process as to what and how these are extracted from the structure. Data types served by the Query Layer include site investigation derived geotechnical data, hydrogeology datasets, regional geochemistry, geophysical logs as well as lithological and borehole metadata. The size and complexity of the data sets with multiple parent structures requires a technically robust approach to keep the layer synchronised. This is achieved through Oracle procedures written in PL/SQL containing the logic required to carry out the data manipulation (inserts, updates, deletes) to keep the layer synchronised with the underlying databases either as regular scheduled jobs (weekly, monthly etc) or invoked on demand. The PropBase Query Layer's implementation has enabled rapid data discovery, visualisation and interpretation of geological data with greater ease, simplifying the parametrisation of 3D model volumes and facilitating the study of intra-unit heterogeneity.

Mathematical structure of unit systems

NASA Astrophysics Data System (ADS)

Kitano, Masao

2013-05-01

We investigate the mathematical structure of unit systems and the relations between them. Looking over the entire set of unit systems, we can find a mathematical structure that is called preorder (or quasi-order). For some pair of unit systems, there exists a relation of preorder such that one unit system is transferable to the other unit system. The transfer (or conversion) is possible only when all of the quantities distinguishable in the latter system are always distinguishable in the former system. By utilizing this structure, we can systematically compare the representations in different unit systems. Especially, the equivalence class of unit systems (EUS) plays an important role because the representations of physical quantities and equations are of the same form in unit systems belonging to an EUS. The dimension of quantities is uniquely defined in each EUS. The EUS's form a partially ordered set. Using these mathematical structures, unit systems and EUS's are systematically classified and organized as a hierarchical tree.

Ultrasound effects on the degradation kinetics, structure, and antioxidant activity of sea cucumber fucoidan.

PubMed

Guo, Xin; Ye, Xingqian; Sun, Yujing; Wu, Dan; Wu, Nian; Hu, Yaqin; Chen, Shiguo

2014-02-05

The effects of ultrasound on the molecular weight, structure, and antioxidant potential of a fucoidan found in Isostichopus badionotus were investigated. The results showed the molecular weight (Mw) of fucoidan decreased obviously after ultrasound treatment. Higher ultrasonic intensity, lower temperature, and lower fucoidan concentrations led to a more effective sonochemical effect. The kinetic model for fucoidan degradation fitted to 1/M(wt)-1/M(w0) = kt at the tested temperature. The optimized degradation conditions by response surface methodology (RSM) were temperature, 12 °C, and intensity, 508 W/cm². Structural analysis by FTIR and NMR indicated the fucoidan kept the linear tetrasaccharide repeating units as the original polysaccharides after the ultrasound treatment, with only slight destruction of the middle nonsulfated fucose units. Antioxidant activity assay showed the antioxidant activity was slightly improved by the ultrasound treatment. The results suggested that ultrasound treatment is an effective approach to decrease the M(w) of fucoidan with only minor structural destruction.

Alternative spatial configurations to reflect landscape structure in a hydrological model: SUMMA applications to the Reynolds Creek Watershed and the Columbia River Basin

NASA Astrophysics Data System (ADS)

Nijssen, Bart; Clark, Martyn; Mizukami, Naoki; Chegwidden, Oriana

2016-04-01

Most existing hydrological models use a fixed representation of landscape structure. For example, high-resolution, spatially-distributed models may use grid cells that exchange moisture through the saturated subsurface or may divide the landscape into hydrologic response units that only exchange moisture through surface channels. Alternatively, many regional models represent the landscape through coarse elements that do not model any moisture exchange between these model elements. These spatial organizations are often represented at a low-level in the model code and its data structures, which makes it difficult to evaluate different landscape representations using the same hydrological model. Instead, such experimentation requires the use of multiple, different hydrological models, which in turn complicates the analysis, because differences in model outcomes are no longer constrained by differing spatial representations. This inflexibility in the representation of landscape structure also limits a model's capability for scaling local processes to regional outcomes. In this study, we used the Structure for Unifying Multiple Modeling Alternatives (SUMMA) to evaluate different model spatial configurations to represent landscape structure and to evaluate scaling behavior. SUMMA can represent the moisture exchange between arbitrarily shaped landscape elements in a number of different ways, while using the same model parameterizations for vertical fluxes. This allows us to isolate the effects of changes in landscape representations on modeled hydrological fluxes and states. We examine the effects of spatial configuration in Reynolds Creek, Idaho, USA, which is a research watershed with gaged areas from 1-20 km2. We then use the same modeling system to evaluate scaling behavior in simulated hydrological fluxes in the Columbia River Basin, Pacific Northwest, USA. This basin drains more than 500,000 km2 and includes the Reynolds Creek Watershed.

Towards cortex sized artificial neural systems.

PubMed

Johansson, Christopher; Lansner, Anders

2007-01-01

We propose, implement, and discuss an abstract model of the mammalian neocortex. This model is instantiated with a sparse recurrently connected neural network that has spiking leaky integrator units and continuous Hebbian learning. First we study the structure, modularization, and size of neocortex, and then we describe a generic computational model of the cortical circuitry. A characterizing feature of the model is that it is based on the modularization of neocortex into hypercolumns and minicolumns. Both a floating- and fixed-point arithmetic implementation of the model are presented along with simulation results. We conclude that an implementation on a cluster computer is not communication but computation bounded. A mouse and rat cortex sized version of our model executes in 44% and 23% of real-time respectively. Further, an instance of the model with 1.6 x 10(6) units and 2 x 10(11) connections performed noise reduction and pattern completion. These implementations represent the current frontier of large-scale abstract neural network simulations in terms of network size and running speed.

Pragmatic geometric model evaluation

NASA Astrophysics Data System (ADS)

Pamer, Robert

2015-04-01

Quantification of subsurface model reliability is mathematically and technically demanding as there are many different sources of uncertainty and some of the factors can be assessed merely in a subjective way. For many practical applications in industry or risk assessment (e. g. geothermal drilling) a quantitative estimation of possible geometric variations in depth unit is preferred over relative numbers because of cost calculations for different scenarios. The talk gives an overview of several factors that affect the geometry of structural subsurface models that are based upon typical geological survey organization (GSO) data like geological maps, borehole data and conceptually driven construction of subsurface elements (e. g. fault network). Within the context of the trans-European project "GeoMol" uncertainty analysis has to be very pragmatic also because of different data rights, data policies and modelling software between the project partners. In a case study a two-step evaluation methodology for geometric subsurface model uncertainty is being developed. In a first step several models of the same volume of interest have been calculated by omitting successively more and more input data types (seismic constraints, fault network, outcrop data). The positions of the various horizon surfaces are then compared. The procedure is equivalent to comparing data of various levels of detail and therefore structural complexity. This gives a measure of the structural significance of each data set in space and as a consequence areas of geometric complexity are identified. These areas are usually very data sensitive hence geometric variability in between individual data points in these areas is higher than in areas of low structural complexity. Instead of calculating a multitude of different models by varying some input data or parameters as it is done by Monte-Carlo-simulations, the aim of the second step of the evaluation procedure (which is part of the ongoing work) is to calculate basically two model variations that can be seen as geometric extremes of all available input data. This does not lead to a probability distribution for the spatial position of geometric elements but it defines zones of major (or minor resp.) geometric variations due to data uncertainty. Both model evaluations are then analyzed together to give ranges of possible model outcomes in metric units.

Perceived Discrimination and Social Relationship Functioning among Sexual Minorities: Structural Stigma as a Moderating Factor

PubMed Central

Doyle, David Matthew; Molix, Lisa

2015-01-01

Work on structural stigma shows how public policy affects health outcomes for members of devalued groups, including sexual minorities. In the current research, structural stigma is proposed as a moderating variable that strengthens deleterious associations between perceived discrimination and social relationship functioning. Hypotheses were tested in two cross-sectional studies, including both online (N = 214; Study 1) and community (N = 94; Study 2) samples of sexual minority men and women residing throughout the United States. Structural stigma was coded from policy related to sexual minority rights within each state. Confirming hypotheses, support for the moderating role of structural stigma was found via multilevel models across studies. Specifically, associations between perceived discrimination and friendship strain, loneliness (Study 1) and familial strain (Study 2) were increased for those who resided in states with greater levels of structural stigma and attenuated for those who resided in states with lesser levels. In Study 1, these results were robust to state-level covariates (conservatism and religiosity), but conservatism emerged as a significant moderator in lieu of structural stigma in Study 2. Results are discussed in the context of the shifting landscape of public policy related to sexual minority rights within the United States. PMID:26807046

Meteorite Material Model for Structural Properties

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Carlozzi, Alexander A.; Karajeh, Zaid S.; Bryson, Kathryn L.

2017-01-01

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Due to complex petrology, it is technically challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Youngs modulus, compressive and tensile strengths and Poissons ratio, that in turn would help deduce the properties of asteroids. The meteorite unit is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition. The Youngs Modulus and Poissons Ratio in the meteorite units are calculated by performing several hundreds of Monte-Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these meteorite units. The size, orientation and distribution of cracks are derived by extensive CT-scans and visual scans of various meteorites from the same family. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These material models will be subsequently used in fragmentation modeling of full scale asteroids.

Effect of low relative humidity on properties of structural lumber products

Treesearch

David W. Green; James W. Evans

2003-01-01

Wood used in industrial settings, and in some arid parts of the United States, may be subjected to very low relative humidity (RH). Analytical models available for predicting the effect of moisture content (MC) on the properties of solid-sawn lumber imply significant strength loss at very low MC. However, these models are generally valid only for MC above about 10%....

Characterizing species at risk. II: Using Bayesian belief networks as decision support tools to determine species conservation categories under the Northwest Forest Plan.

Treesearch

B.G. Marcot; P.A. Hohenlohe; S. Morey; R. Holmes; R. Molina; M.C. Turley; M.H. Huff; J.A. Laurence

2006-01-01

We developed decision-aiding models as Bayesian belief networks (BBNs) that represented evaluation guidelines used to determine the appropriate conservation of hundreds of potentially rare species on federally-administered lands in the Pacific Northwest United States. The models were used in a structured assessment and paneling procedure as part of an adaptive...

Physical models have gender-specific effects on student understanding of protein structure-function relationships.

PubMed

Forbes-Lorman, Robin M; Harris, Michelle A; Chang, Wesley S; Dent, Erik W; Nordheim, Erik V; Franzen, Margaret A

2016-07-08

Understanding how basic structural units influence function is identified as a foundational/core concept for undergraduate biological and biochemical literacy. It is essential for students to understand this concept at all size scales, but it is often more difficult for students to understand structure-function relationships at the molecular level, which they cannot as effectively visualize. Students need to develop accurate, 3-dimensional mental models of biomolecules to understand how biomolecular structure affects cellular functions at the molecular level, yet most traditional curricular tools such as textbooks include only 2-dimensional representations. We used a controlled, backward design approach to investigate how hand-held physical molecular model use affected students' ability to logically predict structure-function relationships. Brief (one class period) physical model use increased quiz score for females, whereas there was no significant increase in score for males using physical models. Females also self-reported higher learning gains in their understanding of context-specific protein function. Gender differences in spatial visualization may explain the gender-specific benefits of physical model use observed. © 2016 The Authors Biochemistry and Molecular Biology Education published by Wiley Periodicals, Inc. on behalf of International Union of Biochemistry and Molecular Biology, 44(4):326-335, 2016. © 2016 The International Union of Biochemistry and Molecular Biology.

Unsupervised deep learning reveals prognostically relevant subtypes of glioblastoma.

PubMed

Young, Jonathan D; Cai, Chunhui; Lu, Xinghua

2017-10-03

One approach to improving the personalized treatment of cancer is to understand the cellular signaling transduction pathways that cause cancer at the level of the individual patient. In this study, we used unsupervised deep learning to learn the hierarchical structure within cancer gene expression data. Deep learning is a group of machine learning algorithms that use multiple layers of hidden units to capture hierarchically related, alternative representations of the input data. We hypothesize that this hierarchical structure learned by deep learning will be related to the cellular signaling system. Robust deep learning model selection identified a network architecture that is biologically plausible. Our model selection results indicated that the 1st hidden layer of our deep learning model should contain about 1300 hidden units to most effectively capture the covariance structure of the input data. This agrees with the estimated number of human transcription factors, which is approximately 1400. This result lends support to our hypothesis that the 1st hidden layer of a deep learning model trained on gene expression data may represent signals related to transcription factor activation. Using the 3rd hidden layer representation of each tumor as learned by our unsupervised deep learning model, we performed consensus clustering on all tumor samples-leading to the discovery of clusters of glioblastoma multiforme with differential survival. One of these clusters contained all of the glioblastoma samples with G-CIMP, a known methylation phenotype driven by the IDH1 mutation and associated with favorable prognosis, suggesting that the hidden units in the 3rd hidden layer representations captured a methylation signal without explicitly using methylation data as input. We also found differentially expressed genes and well-known mutations (NF1, IDH1, EGFR) that were uniquely correlated with each of these clusters. Exploring these unique genes and mutations will allow us to further investigate the disease mechanisms underlying each of these clusters. In summary, we show that a deep learning model can be trained to represent biologically and clinically meaningful abstractions of cancer gene expression data. Understanding what additional relationships these hidden layer abstractions have with the cancer cellular signaling system could have a significant impact on the understanding and treatment of cancer.

Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra.

PubMed

Giacomazzi, Luigi; Umari, P; Pasquarello, Alfredo

2005-08-12

We analyze the principal vibrational spectra of vitreous GeO(2) and derive therefrom structural properties referring to length scales beyond the basic tetrahedral unit. We generate a model structure that yields a neutron structure factor in accord with experiment. The inelastic-neutron, the infrared, and the Raman spectra, calculated within a density-functional approach, also agree with respective experimental spectra. The accord for the Raman spectrum supports a Ge-O-Ge angle distribution centered at 135 degrees. The Raman feature X(2) is found to result from vibrations in three-membered rings, and therefore constitutes a distinctive characteristic of the medium-range structure.

Beyond Columnar Organization: Cell Type- and Target Layer-Specific Principles of Horizontal Axon Projection Patterns in Rat Vibrissal Cortex

PubMed Central

Narayanan, Rajeevan T.; Egger, Robert; Johnson, Andrew S.; Mansvelder, Huibert D.; Sakmann, Bert; de Kock, Christiaan P.J.; Oberlaender, Marcel

2015-01-01

Vertical thalamocortical afferents give rise to the elementary functional units of sensory cortex, cortical columns. Principles that underlie communication between columns remain however unknown. Here we unravel these by reconstructing in vivo-labeled neurons from all excitatory cell types in the vibrissal part of rat primary somatosensory cortex (vS1). Integrating the morphologies into an exact 3D model of vS1 revealed that the majority of intracortical (IC) axons project far beyond the borders of the principal column. We defined the corresponding innervation volume as the IC-unit. Deconstructing this structural cortical unit into its cell type-specific components, we found asymmetric projections that innervate columns of either the same whisker row or arc, and which subdivide vS1 into 2 orthogonal [supra-]granular and infragranular strata. We show that such organization could be most effective for encoding multi whisker inputs. Communication between columns is thus organized by multiple highly specific horizontal projection patterns, rendering IC-units as the primary structural entities for processing complex sensory stimuli. PMID:25838038

The organizational structure of intensive care units and its influence on patient outcomes.

PubMed

Kutsogiannis, D J; Hague, C; Triska, O H; Johnston, R G; Noseworthy, T

2001-01-01

Despite the growing body of knowledge on the theory of organization, the application of such theory to the organization of intensive care units is in its infancy. Our knowledge about the influence of ICU organization on patient outcomes is limited. Development of instruments to measure ICU organization, and their implementation in studies of new therapies and technologies, will assist in demonstrating the effect of various models of ICU organization on the provision of clinical care.

RAPID COMMUNICATION: Study of superstructure II in multiferroic BiMnO3

NASA Astrophysics Data System (ADS)

Ge, Bing-Hui; Li, Fang-Hua; Li, Xue-Ming; Wang, Yu-Mei; Chi, Zhen-Hua; Jin, Chang-Qing

2008-09-01

The crystal structure of the minor phase, named superstructure II, existing in multiferroic compound BiMnO3 has been studied by electron diffraction and high-resolution transmission electron microscopy. Domains of major and minor phases coexisting in BiMnO3 were observed in high-resolution electron microscope images. The unit cell of minor phase was determined to be triclinic with the size 4×4×4 times as large as the distorted perovskite subcell. The [111] and [10bar 1] projected structure maps of the minor phase have been derived from the corresponding images by means of the image processing. A possible rough three-dimensional (3D) structure model was proposed based on the 3D structural information extracted from the two projected structure maps. Since there is no inversion centre in the proposed model, the minor phase may contribute to the ferroelectric property of BiMnO3.

Using discrete event simulation to compare the performance of family health unit and primary health care centre organizational models in Portugal.

PubMed

Fialho, André S; Oliveira, Mónica D; Sá, Armando B

2011-10-15

Recent reforms in Portugal aimed at strengthening the role of the primary care system, in order to improve the quality of the health care system. Since 2006 new policies aiming to change the organization, incentive structures and funding of the primary health care sector were designed, promoting the evolution of traditional primary health care centres (PHCCs) into a new type of organizational unit--family health units (FHUs). This study aimed to compare performances of PHCC and FHU organizational models and to assess the potential gains from converting PHCCs into FHUs. Stochastic discrete event simulation models for the two types of organizational models were designed and implemented using Simul8 software. These models were applied to data from nineteen primary care units in three municipalities of the Greater Lisbon area. The conversion of PHCCs into FHUs seems to have the potential to generate substantial improvements in productivity and accessibility, while not having a significant impact on costs. This conversion might entail a 45% reduction in the average number of days required to obtain a medical appointment and a 7% and 9% increase in the average number of medical and nursing consultations, respectively. Reorganization of PHCC into FHUs might increase accessibility of patients to services and efficiency in the provision of primary care services.

Analysis of the mechanical behavior of a titanium scaffold with a repeating unit-cell substructure.

PubMed

Ryan, Garrett; McGarry, Patrick; Pandit, Abhay; Apatsidis, Dimitrios

2009-08-01

Titanium scaffolds with controlled microarchitecture have been developed for load bearing orthopedic applications. The controlled microarchitecture refers to a repeating array of unit-cells, composed of sintered titanium powder, which make up the scaffold structure. The objective of this current research was to characterize the mechanical performance of three scaffolds with increasing porosity, using finite element analysis (FEA) and to compare the results with experimental data. Scaffolds were scanned using microcomputed tomography and FEA models were generated from the resulting computer models. Macroscale and unit-cell models of the scaffolds were created. The material properties of the sintered titanium powders were first evaluated in mechanical tests and the data used in the FEA. The macroscale and unit-cell FEA models proved to be a good predictor of Young's modulus and yield strength. Although macroscale models showed similar failure patterns and an expected trend in UCS, strain at UCS did not compare well with experimental data. Since a rapid prototyping method was used to create the scaffolds, the original CAD geometries of the scaffold were also evaluated using FEA but they did not reflect the mechanical properties of the physical scaffolds. This indicates that at present, determining the actual geometry of the scaffold through computed tomography imaging is important. Finally, a fatigue analysis was performed on the scaffold to simulate the loading conditions it would experience as a spinal interbody fusion device.

Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.

PubMed

Wiwczar, Jessica M; LaFountain, Amy M; Wang, Jimin; Frank, Harry A; Brudvig, Gary W

2017-11-01

Photosystem II (PSII) of oxygenic photosynthetic organisms normally contains exclusively chlorophyll a (Chl a) as its major light-harvesting pigment. Chl a canonically consists of the chlorin headgroup with a 20-carbon, 4-isoprene unit, phytyl tail. We have examined the 1.9 Å crystal structure of PSII from thermophilic cyanobacteria reported by Shen and coworkers in 2012 (PDB accession of 3ARC/3WU2). A newly refined electron density map from this structure, presented here, reveals that some assignments of the cofactors may be different from those modeled in the 3ARC/3WU2 structure, including a specific Chl a that appears to have a truncated tail by one isoprene unit. We provide experimental evidence using high-performance liquid chromatography and mass spectrometry for a small population of Chl a esterified to a 15-carbon farnesyl tail in PSII of thermophilic cyanobacteria.

Condensed tannins from mangrove species Kandelia candel and Rhizophora mangle and their antioxidant activity.

PubMed

Zhang, Liang-Liang; Lin, Yi-Ming; Zhou, Hai-Chao; Wei, Shu-Dong; Chen, Jia-Hong

2010-01-20

The structures of condensed tannins isolated from two mangrove species, Kandelia candel and Rhizophora mangle, were characterized by 13C nuclear magnetic resonance (NMR) spectroscopy and matrix assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) analyses. Results demonstrate that large heterogeneity occurs in degree of polymerization, pattern of hydroxylation, and substitution with monosaccharides in the structures of the condensed tannins. Condensed tannin oligomers from K. candel and R. mangle were shown to be heterogeneous mixtures consisting of procyanidin and prodelphinidin structural units with the former dominating. The MALDI-TOF mass spectra contained masses corresponding to a distinct oligomeric series of glycosylated heteropoly flavan units. In addition, condensed tannins from two mangrove plants were screened for their potential antioxidant activities using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and ferric reducing antioxidant power (FRAP) model systems.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

NASA Astrophysics Data System (ADS)

Kim, Jeongnim; Baczewski, Andrew D.; Beaudet, Todd D.; Benali, Anouar; Chandler Bennett, M.; Berrill, Mark A.; Blunt, Nick S.; Josué Landinez Borda, Edgar; Casula, Michele; Ceperley, David M.; Chiesa, Simone; Clark, Bryan K.; Clay, Raymond C., III; Delaney, Kris T.; Dewing, Mark; Esler, Kenneth P.; Hao, Hongxia; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M. Graham; Luo, Ye; Malone, Fionn D.; Martin, Richard M.; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Parker, William D.; Pineda Flores, Sergio D.; Romero, Nichols A.; Rubenstein, Brenda M.; Shea, Jacqueline A. R.; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F.; Townsend, Joshua P.; Tubman, Norm M.; Van Der Goetz, Brett; Vincent, Jordan E.; ChangMo Yang, D.; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-01

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater–Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

Modeling the fusion of cylindrical bioink particles in post bioprinting structure formation

NASA Astrophysics Data System (ADS)

McCune, Matt; Shafiee, Ashkan; Forgacs, Gabor; Kosztin, Ioan

2015-03-01

Cellular Particle Dynamics (CPD) is an effective computational method to describe the shape evolution and biomechanical relaxation processes in multicellular systems. Thus, CPD is a useful tool to predict the outcome of post-printing structure formation in bioprinting. The predictive power of CPD has been demonstrated for multicellular systems composed of spherical bioink units. Experiments and computer simulations were related through an independently developed theoretical formalism based on continuum mechanics. Here we generalize the CPD formalism to (i) include cylindrical bioink particles often used in specific bioprinting applications, (ii) describe the more realistic experimental situation in which both the length and the volume of the cylindrical bioink units decrease during post-printing structure formation, and (iii) directly connect CPD simulations to the corresponding experiments without the need of the intermediate continuum theory inherently based on simplifying assumptions. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

PubMed

Kim, Jeongnim; Baczewski, Andrew T; Beaudet, Todd D; Benali, Anouar; Bennett, M Chandler; Berrill, Mark A; Blunt, Nick S; Borda, Edgar Josué Landinez; Casula, Michele; Ceperley, David M; Chiesa, Simone; Clark, Bryan K; Clay, Raymond C; Delaney, Kris T; Dewing, Mark; Esler, Kenneth P; Hao, Hongxia; Heinonen, Olle; Kent, Paul R C; Krogel, Jaron T; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M Graham; Luo, Ye; Malone, Fionn D; Martin, Richard M; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Parker, William D; Pineda Flores, Sergio D; Romero, Nichols A; Rubenstein, Brenda M; Shea, Jacqueline A R; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F; Townsend, Joshua P; Tubman, Norm M; Van Der Goetz, Brett; Vincent, Jordan E; Yang, D ChangMo; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-16

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

Detecting forest structure and biomass with C-band multipolarization radar - Physical model and field tests

NASA Technical Reports Server (NTRS)

Westman, Walter E.; Paris, Jack F.

1987-01-01

The ability of C-band radar (4.75 GHz) to discriminate features of forest structure, including biomass, is tested using a truck-mounted scatterometer for field tests on a 1.5-3.0 m pygmy forest of cypress (Cupressus pygmaea) and pine (Pinus contorta ssp, Bolanderi) near Mendocino, CA. In all, 31 structural variables of the forest are quantified at seven sites. Also measured was the backscatter from a life-sized physical model of the pygmy forest, composed of nine wooden trees with 'leafy branches' of sponge-wrapped dowels. This model enabled independent testing of the effects of stem, branch, and leafy branch biomass, branch angle, and moisture content on radar backscatter. Field results suggested that surface area of leaves played a greater role in leaf scattering properties than leaf biomass per se. Tree leaf area index was strongly correlated with vertically polarized power backscatter (r = 0.94; P less than 0.01). Field results suggested that the scattering role of leaf water is enhanced as leaf surface area per unit leaf mass increases; i.e., as the moist scattering surfaces become more dispersed. Fog condensate caused a measurable rise in forest backscatter, both from surface and internal rises in water content. Tree branch mass per unit area was highly correlated with cross-polarized backscatter in the field (r = 0.93; P less than 0.01), a result also seen in the physical model.

Mapping geoelectric fields during magnetic storms: Synthetic analysis of empirical United States impedances

NASA Astrophysics Data System (ADS)

Bedrosian, Paul A.; Love, Jeffrey J.

2015-12-01

Empirical impedance tensors obtained from EarthScope magnetotelluric data at sites distributed across the midwestern United States are used to examine the feasibility of mapping magnetic storm induction of geoelectric fields. With these tensors, in order to isolate the effects of Earth conductivity structure, we perform a synthetic analysis—calculating geoelectric field variations induced by a geomagnetic field that is geographically uniform but varying sinusoidally with a chosen set of oscillation frequencies that are characteristic of magnetic storm variations. For north-south oriented geomagnetic oscillations at a period of T0=100 s, induced geoelectric field vectors show substantial geographically distributed differences in amplitude (approximately a factor of 100), direction (up to 130∘), and phase (over a quarter wavelength). These differences are the result of three-dimensional Earth conductivity structure, and they highlight a shortcoming of one-dimensional conductivity models (and other synthetic models not derived from direct geophysical measurement) that are used in the evaluation of storm time geoelectric hazards for the electric power grid industry. A hypothetical extremely intense magnetic storm having 500 nT amplitude at T0=100 s would induce geoelectric fields with an average amplitude across the midwestern United States of about 2.71 V/km, but with a representative site-to-site range of 0.15 V/km to 16.77 V/km. Significant improvement in the evaluation of such hazards will require detailed knowledge of the Earth's interior three-dimensional conductivity structure.

Rethinking Partnerships on a Decentralized Campus

ERIC Educational Resources Information Center

Dufault, Katie H.

2017-01-01

Decentralization is an effective approach for structuring campus learning and success centers. McShane & Von Glinow (2007) describe decentralization as "an organizational model where decision authority and power are dispersed among units rather than held by a single small group of administrators" (p. 237). A decentralized structure…

cellPACK: A Virtual Mesoscope to Model and Visualize Structural Systems Biology

PubMed Central

Johnson, Graham T.; Autin, Ludovic; Al-Alusi, Mostafa; Goodsell, David S.; Sanner, Michel F.; Olson, Arthur J.

2014-01-01

cellPACK assembles computational models of the biological mesoscale, an intermediate scale (10−7–10−8m) between molecular and cellular biology. cellPACK’s modular architecture unites existing and novel packing algorithms to generate, visualize and analyze comprehensive 3D models of complex biological environments that integrate data from multiple experimental systems biology and structural biology sources. cellPACK is currently available as open source code, with tools for validation of models and with recipes and models for five biological systems: blood plasma, cytoplasm, synaptic vesicles, HIV and a mycoplasma cell. We have applied cellPACK to model distributions of HIV envelope protein to test several hypotheses for consistency with experimental observations. Biologists, educators, and outreach specialists can interact with cellPACK models, develop new recipes and perform packing experiments through scripting and graphical user interfaces at http://cellPACK.org. PMID:25437435

Self-organization of network dynamics into local quantized states.

PubMed

Nicolaides, Christos; Juanes, Ruben; Cueto-Felgueroso, Luis

2016-02-17

Self-organization and pattern formation in network-organized systems emerges from the collective activation and interaction of many interconnected units. A striking feature of these non-equilibrium structures is that they are often localized and robust: only a small subset of the nodes, or cell assembly, is activated. Understanding the role of cell assemblies as basic functional units in neural networks and socio-technical systems emerges as a fundamental challenge in network theory. A key open question is how these elementary building blocks emerge, and how they operate, linking structure and function in complex networks. Here we show that a network analogue of the Swift-Hohenberg continuum model-a minimal-ingredients model of nodal activation and interaction within a complex network-is able to produce a complex suite of localized patterns. Hence, the spontaneous formation of robust operational cell assemblies in complex networks can be explained as the result of self-organization, even in the absence of synaptic reinforcements.

Structural model of homogeneous As–S glasses derived from Raman spectroscopy and high-resolution XPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golovchak, R.; Shpotyuk, O.; Mccloy, J. S.

2010-11-28

The structure of homogeneous bulk As x S 100- x (25 ≤ x ≤ 42) glasses, prepared by the conventional rocking–melting–quenching method, was investigated using high-resolution X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. It is shown that the main building blocks of their glass networks are regular AsS 3/2 pyramids and sulfur chains. In the S-rich domain, the existence of quasi-tetrahedral (QT) S = As(S 1/2) 3 units is deduced from XPS data, but with a concentration not exceeding ~3–5% of total atomic sites. Therefore, QT units do not appear as primary building blocks of the glass backbone in thesemore » materials, and an optimally-constrained network may not be an appropriate description for glasses when x < 40. Finally, it is shown that, in contrast to Se-based glasses, the ‘chain-crossing’ model is only partially applicable to sulfide glasses.« less

Ranked set sampling: cost and optimal set size.

PubMed

Nahhas, Ramzi W; Wolfe, Douglas A; Chen, Haiying

2002-12-01

McIntyre (1952, Australian Journal of Agricultural Research 3, 385-390) introduced ranked set sampling (RSS) as a method for improving estimation of a population mean in settings where sampling and ranking of units from the population are inexpensive when compared with actual measurement of the units. Two of the major factors in the usefulness of RSS are the set size and the relative costs of the various operations of sampling, ranking, and measurement. In this article, we consider ranking error models and cost models that enable us to assess the effect of different cost structures on the optimal set size for RSS. For reasonable cost structures, we find that the optimal RSS set sizes are generally larger than had been anticipated previously. These results will provide a useful tool for determining whether RSS is likely to lead to an improvement over simple random sampling in a given setting and, if so, what RSS set size is best to use in this case.

Average crystal structure(s) of the embedded meta stable η‧-phase in the Al-Mg-Zn system

NASA Astrophysics Data System (ADS)

Bøvik Larsen, Helge; Thorkildsen, Gunnar; Natland, Sølvi; Pattison, Philip

2014-05-01

Meta stable embedded nano-sized ?-particles within a single grain extracted from an alloy having the nominal composition ? have been examined with X-ray diffraction. By applying the orientational and metric relationships that exist between the hexagonal unit cell of the ?-particles and the cubic unit cell of the Al-matrix, it has been proven possible to directly collect diffracted intensity data from the ?-particle ensemble. This has been done using synchrotron radiation and a ?-diffractometer having a scintillator point detector setup. The approach has resulted in improved data quality compared to previous experiments. The interpretation of the data set, based on a combination of Patterson syntheses, direct methods and geometrical restraints, yielded two possible average structural representations: one Al-rich with the approximate stoichiometric composition ? and one Al-depleted with approximate stoichiometric composition ?. Both structures are realized in the same space group, ?, and are most probably superimposed in the crystalline system examined. The geometries are discussed within the atomic environment approach where icosahedral or near-icosahedral configurations are encountered. Comparison with previous published models and the equilibrium structure reveals a main difference related to the distribution of the Zn-sites in the unit cell. A possible transformation path is also suggested. Various aspects and challenges regarding data collection, data reduction and data quality are specifically addressed.

Emergence of the interplay between hierarchy and contact splitting in biological adhesion highlighted through a hierarchical shear lag model.

PubMed

Brely, Lucas; Bosia, Federico; Pugno, Nicola M

2018-06-20

Contact unit size reduction is a widely studied mechanism as a means to improve adhesion in natural fibrillar systems, such as those observed in beetles or geckos. However, these animals also display complex structural features in the way the contact is subdivided in a hierarchical manner. Here, we study the influence of hierarchical fibrillar architectures on the load distribution over the contact elements of the adhesive system, and the corresponding delamination behaviour. We present an analytical model to derive the load distribution in a fibrillar system loaded in shear, including hierarchical splitting of contacts, i.e. a "hierarchical shear-lag" model that generalizes the well-known shear-lag model used in mechanics. The influence on the detachment process is investigated introducing a numerical procedure that allows the derivation of the maximum delamination force as a function of the considered geometry, including statistical variability of local adhesive energy. Our study suggests that contact splitting generates improved adhesion only in the ideal case of extremely compliant contacts. In real cases, to produce efficient adhesive performance, contact splitting needs to be coupled with hierarchical architectures to counterbalance high load concentrations resulting from contact unit size reduction, generating multiple delamination fronts and helping to avoid detrimental non-uniform load distributions. We show that these results can be summarized in a generalized adhesion scaling scheme for hierarchical structures, proving the beneficial effect of multiple hierarchical levels. The model can thus be used to predict the adhesive performance of hierarchical adhesive structures, as well as the mechanical behaviour of composite materials with hierarchical reinforcements.

Structural Synaptic Plasticity Has High Memory Capacity and Can Explain Graded Amnesia, Catastrophic Forgetting, and the Spacing Effect

PubMed Central

Knoblauch, Andreas; Körner, Edgar; Körner, Ursula; Sommer, Friedrich T.

2014-01-01

Although already William James and, more explicitly, Donald Hebb's theory of cell assemblies have suggested that activity-dependent rewiring of neuronal networks is the substrate of learning and memory, over the last six decades most theoretical work on memory has focused on plasticity of existing synapses in prewired networks. Research in the last decade has emphasized that structural modification of synaptic connectivity is common in the adult brain and tightly correlated with learning and memory. Here we present a parsimonious computational model for learning by structural plasticity. The basic modeling units are “potential synapses” defined as locations in the network where synapses can potentially grow to connect two neurons. This model generalizes well-known previous models for associative learning based on weight plasticity. Therefore, existing theory can be applied to analyze how many memories and how much information structural plasticity can store in a synapse. Surprisingly, we find that structural plasticity largely outperforms weight plasticity and can achieve a much higher storage capacity per synapse. The effect of structural plasticity on the structure of sparsely connected networks is quite intuitive: Structural plasticity increases the “effectual network connectivity”, that is, the network wiring that specifically supports storage and recall of the memories. Further, this model of structural plasticity produces gradients of effectual connectivity in the course of learning, thereby explaining various cognitive phenomena including graded amnesia, catastrophic forgetting, and the spacing effect. PMID:24858841

A Modular Approach to Arithmetic and Logic Unit Design on a Reconfigurable Hardware Platform for Educational Purpose

NASA Astrophysics Data System (ADS)

Oztekin, Halit; Temurtas, Feyzullah; Gulbag, Ali

The Arithmetic and Logic Unit (ALU) design is one of the important topics in Computer Architecture and Organization course in Computer and Electrical Engineering departments. There are ALU designs that have non-modular nature to be used as an educational tool. As the programmable logic technology has developed rapidly, it is feasible that ALU design based on Field Programmable Gate Array (FPGA) is implemented in this course. In this paper, we have adopted the modular approach to ALU design based on FPGA. All the modules in the ALU design are realized using schematic structure on Altera's Cyclone II Development board. Under this model, the ALU content is divided into four distinct modules. These are arithmetic unit except for multiplication and division operations, logic unit, multiplication unit and division unit. User can easily design any size of ALU unit since this approach has the modular nature. Then, this approach was applied to microcomputer architecture design named BZK.SAU.FPGA10.0 instead of the current ALU unit.

A methodology to model physical contact between structural components in NASTRAN

NASA Technical Reports Server (NTRS)

Prabhu, Annappa A.

1993-01-01

Two components of a structure which are located side by side, will come in contact by certain force and will transfer the compressive force along the contact area. If the force acts in the opposite direction, the elements will separate and no force will be transferred. If this contact is modeled, the load path will be correctly represented, and the load redistribution results in more realistic stresses in the structure. This is accomplished by using different sets of rigid elements for different loading conditions, or by creating multipoint constraint sets. Comparison of these two procedures is presented for a 4 panel unit (PU) stowage drawer installed in an experiment rack in the Spacelab Life Sciences (SLS-2) payload.

Electron tomography and computer visualisation of a three-dimensional 'photonic' crystal in a butterfly wing-scale.

PubMed

Argyros, A; Manos, S; Large, M C J; McKenzie, D R; Cox, G C; Dwarte, D M

2002-01-01

A combination of transmission electron tomography and computer modelling has been used to determine the three-dimensional structure of the photonic crystals found in the wing-scales of the Kaiser-I-Hind butterfly (Teinopalpus imperialis). These scales presented challenges for electron microscopy because the periodicity of the structure was comparable to the thickness of a section and because of the complex connectivity of the object. The structure obtained has been confirmed by taking slices of the three-dimensional computer model constructed from the tomography and comparing these with transmission electron microscope (TEM) images of microtomed sections of the actual scale. The crystal was found to have chiral tetrahedral repeating units packed in a triclinic lattice.

Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

NASA Astrophysics Data System (ADS)

Dass, Devi

2018-03-01

Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

Structural interventions to prevent HIV/sexually transmitted disease: are they cost-effective for women in the southern United States?

PubMed

Cohen, Deborah A; Wu, Shin-Yi; Farley, Thomas A

2006-07-01

Structural interventions are theoretically promising for populations with a low prevalence of HIV, because they can reach large numbers of people to influence their social norms and collective risky behaviors for a relatively low cost per person. Because HIV transmission is continuing to increase among women in the southern United States, interventions to stem this epidemic are particularly warranted. This study explores whether structural interventions may be a cost-effective way to prevent HIV in this population. We used the cost-effectiveness estimator, "Maximizing the Benefit" to determine the relative cost-effectiveness of 6 structural HIV prevention interventions. "Maximizing the Benefit" is a spreadsheet tool using mathematical models to estimate the cost per HIV infection prevented taking into account the epidemiologic contexts, behavioral change as a result of an intervention, and the costs of intervention. We applied estimates of HIV prevalence related to blacks in the southern United States. All the structural interventions were cost-effective compared with average lifetime treatment costs of HIV, but mass media, condom availability, and alcohol taxes theoretically prevented the largest numbers of HIV infections. Although the assumptions used in cost-effectiveness estimates have many limitations, they do allow for a relative comparison of different interventions and help to inform policy decisions related to the allocation of HIV prevention resources. Structural interventions hold the greatest promise in reducing HIV transmission among low-prevalence populations.

Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field

NASA Astrophysics Data System (ADS)

Liwo, Adam; Czaplewski, Cezary; Pillardy, Jarosław; Scheraga, Harold A.

2001-08-01

A general method to derive site-site or united-residue potentials is presented. The basic principle of the method is the separation of the degrees of freedom of a system into the primary and secondary ones. The primary degrees of freedom describe the basic features of the system, while the secondary ones are averaged over when calculating the potential of mean force, which is hereafter referred to as the restricted free energy (RFE) function. The RFE can be factored into one-, two-, and multibody terms, using the cluster-cumulant expansion of Kubo. These factors can be assigned the functional forms of the corresponding lowest-order nonzero generalized cumulants, which can, in most cases, be evaluated analytically, after making some simplifying assumptions. This procedure to derive coarse-grain force fields is very valuable when applied to multibody terms, whose functional forms are hard to deduce in another way (e.g., from structural databases). After the functional forms have been derived, they can be parametrized based on the RFE surfaces of model systems obtained from all-atom models or on the statistics derived from structural databases. The approach has been applied to our united-residue force field for proteins. Analytical expressions were derived for the multibody terms pertaining to the correlation between local and electrostatic interactions within the polypeptide backbone; these expressions correspond to up to sixth-order terms in the cumulant expansion of the RFE. These expressions were subsequently parametrized by fitting to the RFEs of selected peptide fragments, calculated with the empirical conformational energy program for peptides force field. The new multibody terms enable not only the heretofore predictable α-helical segments, but also regular β-sheets, to form as the lowest-energy structures, as assessed by test calculations on a model helical protein A, as well as a model 20-residue polypeptide (betanova); the latter was not possible without introducing these new terms.

Polar materials with isolated V 4+ S = 1/2 Triangles: NaSr 2V 3O 3(Ge 4O 13)Cl and KSr 2V 3O 3(Ge 4O 13)Cl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.

Here, crystals of ASr 2V 3O 3(Ge 4O 13)Cl, A = Na, K, were synthesized from high-temperature hydrothermal brines, and their structure and magnetic properties were investigated. These materials present a unique combination of a salt inclusion lattice, a polar crystal structure, and isolated V 4+ ( S = 1/2) trimer magnetic clusters. The structures consist of a trimeric V 3O 13 unit based on V 4+ ( S = 1/2), having rigorous 3-fold symmetry with a short V–V separation of 3.325(3) Å. The trinuclear V 4+ units are formed by three edge shared VO 6 octahedra sharing a centralmore » μ3-oxygen atom, which also imparts a polar sense on the structure. The V 3O 13 units are isolated from one another by tetranuclear Ge 4O 13 units, which are similarly arranged in a polar fashion, providing a unique opportunity to study the magnetic behavior of this triangular d 1 system as a discrete unit. Magnetization measurements indicate spin-1/2 per V atom at high temperature, and spin-1/2 per V 3 trimer at low temperature, where two V moments in each triangle are antiferromagnetically aligned and the third remains paramagnetic. The crossover between these two behaviors occurs between 20 and 100 K and is well-described by a model incorporating strong antiferromagnetic intra-trimer interactions and weak but nonzero inter-trimer interactions. More broadly, the study highlights the ability to obtain new materials with interesting structure–property relationships via chemistry involving unconventional solvents and reaction conditions.« less

Polar materials with isolated V 4+ S = 1/2 Triangles: NaSr 2V 3O 3(Ge 4O 13)Cl and KSr 2V 3O 3(Ge 4O 13)Cl

DOE PAGES

Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; ...

2017-01-03

Here, crystals of ASr 2V 3O 3(Ge 4O 13)Cl, A = Na, K, were synthesized from high-temperature hydrothermal brines, and their structure and magnetic properties were investigated. These materials present a unique combination of a salt inclusion lattice, a polar crystal structure, and isolated V 4+ ( S = 1/2) trimer magnetic clusters. The structures consist of a trimeric V 3O 13 unit based on V 4+ ( S = 1/2), having rigorous 3-fold symmetry with a short V–V separation of 3.325(3) Å. The trinuclear V 4+ units are formed by three edge shared VO 6 octahedra sharing a centralmore » μ3-oxygen atom, which also imparts a polar sense on the structure. The V 3O 13 units are isolated from one another by tetranuclear Ge 4O 13 units, which are similarly arranged in a polar fashion, providing a unique opportunity to study the magnetic behavior of this triangular d 1 system as a discrete unit. Magnetization measurements indicate spin-1/2 per V atom at high temperature, and spin-1/2 per V 3 trimer at low temperature, where two V moments in each triangle are antiferromagnetically aligned and the third remains paramagnetic. The crossover between these two behaviors occurs between 20 and 100 K and is well-described by a model incorporating strong antiferromagnetic intra-trimer interactions and weak but nonzero inter-trimer interactions. More broadly, the study highlights the ability to obtain new materials with interesting structure–property relationships via chemistry involving unconventional solvents and reaction conditions.« less

A geophysical potential field study to image the Makran subduction zone in SE of Iran

NASA Astrophysics Data System (ADS)

Abedi, Maysam; Bahroudi, Abbas

2016-10-01

The Makran subduction wedge as one of the largest subduction complexes has been forming due to the Arabian oceanic lithosphere subducting beneath the Lut and the Afghan rigid block microplates. To better visualize the subducting oceanic crust in this region, a geophysical model of magnetic susceptibility from an airborne magnetic survey (line spacing about 7.5 km) over the Makran zone located at southeast of Iran is created to image various structural units in Iran plate. The constructed geophysical model from the 3D inverse modeling of the airborne magnetic data indicates a thin subducting slab to the north of the Makran structural zone. It is demonstrated that the thickness of sedimentary units varies approximately at an interval of 7.5-11 km from north to south of this zone in the Iranian plate, meanwhile the curie depth is also estimated approximately < 26 km. It is also shown the Jazmurian depression zone adjacent to the north of the Makran indicates high intensity magnetic anomalies due to being underlain by an ophiolite oceanic basement, while such intensity reduces over the Makran. The directional derivatives of the magnetic field data have subtle changes in the Makran, but strongly increase in the Jazmurian by enhancing and separating different structural boundaries in this region. In addition, the density variations of the subsurface geological layers were determined by 3D inversion of the ground-based gravity data over the whole study area, where the constructed density model was in good agreement with the magnetic one. According to the outputs of the magnetic susceptibility and the density contrast, the Arabian plate subducts to the north under the Eurasia with a very low dip angle in the Makran structural zone.

An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.

PubMed

McCarty, J; Clark, A J; Copperman, J; Guenza, M G

2014-05-28

Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k → 0 limit, c0. A numerical solution to the PRISM integral equations is used to determine c0, by adjusting the value of the effective hard sphere diameter, dHS, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.

USA Homeland Security: A Model for the United Arab Emirates

DTIC Science & Technology

2009-03-24

aboard and 11 on the ground were killed. Al-Qaeda involvement was suspected in the February 26, 1993 bomb explosion in a basement garage of the World...critical area concerning security was not added to the DHS structure until Congress passed the Intelligence Reform and Terrorism Act of 2004.19 To...announced a six-point agenda to ensure that Department policies, operations and structures were providing the instruments needed to address both present

Geometric structure of thin SiO xN y films on Si(100)

NASA Astrophysics Data System (ADS)

Behrens, K.-M.; Klinkenberg, E.-D.; Finster, J.; Meiwes-Broer, K.-H.

1998-05-01

Thin films of amorphous stoichometric SiO xN y are deposited on radiation-heated Si(100) by rapid thermal low-pressure chemical vapour deposition. We studied the whole range of possible compositions. In order to determine the geometric structure, we used EXAFS and photoelectron spectroscopy. Tetrahedrons constitute the short-range units with a central Si atom connected to N and O. The distribution of the possible tetrahedrons can be described by a mixture of the Random Bonding Model and the Random Mixture Model. For low oxygen contents x/( x+ y)≤0.3, the geometric structure of the film is almost the structure of a-Si 3N 4, with the oxygen preferably on top of Si-N 3 triangles. Higher oxygen contents induce changes in the bond lengths, bond angles and coordination numbers.

A New Model for the Organizational Structure of Medical Record Departments in Hospitals in Iran

PubMed Central

Moghaddasi, Hamid; Hosseini, Azamossadat; Sheikhtaheri, Abbas

2006-01-01

The organizational structure of medical record departments in Iran is not appropriate for the efficient management of healthcare information. In addition, there is no strong information management division to provide comprehensive information management services in hospitals in Iran. Therefore, a suggested model was designed based on four main axes: 1) specifications of a Health Information Management Division, 2) specifications of a Healthcare Information Management Department, 3) the functions of the Healthcare Information Management Department, and 4) the units of the Healthcare Information Management Department. The validity of the model was determined through use of the Delphi technique. The results of the validation process show that the majority of experts agree with the model and consider it to be appropriate and applicable for hospitals in Iran. The model is therefore recommended for hospitals in Iran. PMID:18066362

Large ensemble and large-domain hydrologic modeling: Insights from SUMMA applications in the Columbia River Basin

NASA Astrophysics Data System (ADS)

Ou, G.; Nijssen, B.; Nearing, G. S.; Newman, A. J.; Mizukami, N.; Clark, M. P.

2016-12-01

The Structure for Unifying Multiple Modeling Alternatives (SUMMA) provides a unifying modeling framework for process-based hydrologic modeling by defining a general set of conservation equations for mass and energy, with the capability to incorporate multiple choices for spatial discretizations and flux parameterizations. In this study, we provide a first demonstration of large-scale hydrologic simulations using SUMMA through an application to the Columbia River Basin (CRB) in the northwestern United States and Canada for a multi-decadal simulation period. The CRB is discretized into 11,723 hydrologic response units (HRUs) according to the United States Geologic Service Geospatial Fabric. The soil parameters are derived from the Natural Resources Conservation Service Soil Survey Geographic (SSURGO) Database. The land cover parameters are based on the National Land Cover Database from the year 2001 created by the Multi-Resolution Land Characteristics (MRLC) Consortium. The forcing data, including hourly air pressure, temperature, specific humidity, wind speed, precipitation, shortwave and longwave radiations, are based on Phase 2 of the North American Land Data Assimilation System (NLDAS-2) and averaged for each HRU. The simulation results are compared to simulations with the Variable Infiltration Capacity (VIC) model and the Precipitation Runoff Modeling System (PRMS). We are particularly interested in SUMMA's capability to mimic model behaviors of the other two models through the selection of appropriate model parameterizations in SUMMA.

International Space Station Future Correlation Analysis Improvements

NASA Technical Reports Server (NTRS)

Laible, Michael R.; Pinnamaneni, Murthy; Sugavanam, Sujatha; Grygier, Michael

2018-01-01

Ongoing modal analyses and model correlation are performed on different configurations of the International Space Station (ISS). These analyses utilize on-orbit dynamic measurements collected using four main ISS instrumentation systems: External Wireless Instrumentation System (EWIS), Internal Wireless Instrumentation System (IWIS), Space Acceleration Measurement System (SAMS), and Structural Dynamic Measurement System (SDMS). Remote Sensor Units (RSUs) are network relay stations that acquire flight data from sensors. Measured data is stored in the Remote Sensor Unit (RSU) until it receives a command to download data via RF to the Network Control Unit (NCU). Since each RSU has its own clock, it is necessary to synchronize measurements before analysis. Imprecise synchronization impacts analysis results. A study was performed to evaluate three different synchronization techniques: (i) measurements visually aligned to analytical time-response data using model comparison, (ii) Frequency Domain Decomposition (FDD), and (iii) lag from cross-correlation to align measurements. This paper presents the results of this study.

Family Structure and Adolescent Substance Use: An International Perspective.

PubMed

Hoffmann, John P

2017-11-10

Numerous studies indicate that family structure is a key correlate of adolescent substance use. Yet there are some important limitations to this research. Studies have been conducted mainly in the United States, with relatively few studies that have compared family structure and youth substance use across nations. There is also a lack of recognition of the complexity of family types prevalent in contemporary global society. Moreover, there remains a need to consider personal, interpersonal, and macro-level characteristics that may help account for the association between family structure and youth substance use. This study uses data from 37 countries to examine several models that purport to explain the association between family structure and substance use. The data are from the 2005-2006 WHO-sponsored Health Behaviour in School-Aged Children (HBSC) (n = 193,202). Multilevel models, including linear, probit, and structural equation models (SEMs), were used to test several hypotheses. The results suggest that time spent with friends largely accounted for the association between specific types of family structures and frequency of alcohol use and getting drunk, but that cannabis use was negatively associated with living with both biological parents irrespective of other factors.

Modeling Composite Laminate Crushing for Crash Analysis

NASA Technical Reports Server (NTRS)

Fleming, David C.; Jones, Lisa (Technical Monitor)

2002-01-01

Crash modeling of composite structures remains limited in application and has not been effectively demonstrated as a predictive tool. While the global response of composite structures may be well modeled, when composite structures act as energy-absorbing members through direct laminate crushing the modeling accuracy is greatly reduced. The most efficient composite energy absorbing structures, in terms of energy absorbed per unit mass, are those that absorb energy through a complex progressive crushing response in which fiber and matrix fractures on a small scale dominate the behavior. Such failure modes simultaneously include delamination of plies, failure of the matrix to produce fiber bundles, and subsequent failure of fiber bundles either in bending or in shear. In addition, the response may include the significant action of friction, both internally (between delaminated plies or fiber bundles) or externally (between the laminate and the crushing surface). A figure shows the crushing damage observed in a fiberglass composite tube specimen, illustrating the complexity of the response. To achieve a finite element model of such complex behavior is an extremely challenging problem. A practical crushing model based on detailed modeling of the physical mechanisms of crushing behavior is not expected in the foreseeable future. The present research describes attempts to model composite crushing behavior using a novel hybrid modeling procedure. Experimental testing is done is support of the modeling efforts, and a test specimen is developed to provide data for validating laminate crushing models.

Thermal control unit for long-time survival of scientific instruments on lunar surface

NASA Astrophysics Data System (ADS)

Ogawa, Kazunori; Iijima, Yuichi; Tanaka, Satoshi

A thermal control unit (lunar survival module) is being developed for scientific instruments placed on the lunar surface. This unit is designed to be used on the future Japanese lunar landing mission SELENE-2. The lunar surface is a severe environment for scientific instruments. The absence of convective cooling by an atmosphere makes the ground surface temperature variable in the wide range of -200 to 100 degC, an environment in which space electronics can hardly survive. The surface elements must have a thermal control structure to maintain the inner temperature within the operable ranges of the instruments for long-time measurements, such as 1 month or longer beyond the lunar nights. The objectives of this study are to develop a thermal control unit for the SELENE-2 mission. So far, we conducted the concept design of the lunar survival module, and estimated its potential by a thermal mathematical model on the assumption of using a lunar seismometer designed for SELENE-2. The basic structure of the thermal module is rather simple in that a heat insulating shell covers the scientific instruments. The concept is that the conical insulator retains heat in the regolith soil in the daylight, and it can keep the device warm in the night. Results of the model calculations indicated the high potential of long-time survival. A bread board model (BBM) was manufactured, and its thermal-vacuum tests were conducted in order to estimate the validity of some thermal parameters assumed in the computed thermal model. The thermal condition of the lunar surface was simulated by glass beads paved in a vacuum chamber, and a temperature-controlled container. Temperature variations of the BBM in thermal cycling tests were compared to a thermal mathematical model, and the thermal parameters were finally assessed. Feeding the test results back into the thermal model for the lunar surface, some thermal parameters were updated but there was no critical effect on the survivability. The experimental results indicated a sufficient survivability potential of the concept of our thermal control system.

Work-Family Balance and Psychosocial Adjustment of Married International Students

ERIC Educational Resources Information Center

Bulgan, Gökçe; Çiftçi, Ayse

2018-01-01

The authors investigated how work-family balance mediated the relationship between personality traits, gender roles, social support, and psychosocial adjustment. Data were collected from 243 married international graduate students (MIGSs) studying in the United States. Results of structural equation modeling indicated that personality traits…

Estimation of maximum tolerated dose for long-term bioassays from acute lethal dose and structure by QSAR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gombar, V.K.; Enslein, K.; Hart, J.B.

1991-09-01

A quantitative structure-activity relationship (QSAR) model has been developed to estimate maximum tolerated doses (MTD) from structural features of chemicals and the corresponding oral acute lethal doses (LD50) as determined in male rats. The model is based on a set of 269 diverse chemicals which have been tested under the National Cancer Institute/National Toxicology Program (NCI/NTP) protocols. The rat oral LD50 value was the strongest predictor. Additionally, 22 structural descriptors comprising nine substructural MOLSTAC(c) keys, three molecular connectivity indices, and sigma charges on 10 molecular fragments were identified as endpoint predictors. The model explains 76% of the variance and ismore » significant (F = 35.7) at p less than 0.0001 with a standard error of the estimate of 0.40 in the log (1/mol) units used in Hansch-type equations. Cross-validation showed that the difference between the average deleted residual square (0.179) and the model residual square (0.160) was not significant (t = 0.98).« less

Landslide Hazard Map of The Upper Tiber River Basin, Central Italy

NASA Astrophysics Data System (ADS)

Cardinali, M.; Carrara, A.; Guzzetti, F.; Reichenbach, P.

For the Upper Tiber River basin, which extends over 4000 km2 in Central Italy, a landslide hazard map was derived from a statistical model based on a mix of morpho- logical, lithological, structural and land use data. All these data were obtained from the analysis of different sets of aerial photographs, ranging in scale from 1:33,000 to 1:13,000, systematic field surveys and bibliographical information. Rock types were grouped in 37 units on the basis of the hard vs. soft rock percentage, as as- certained from photo-geological interpretation and field surveys. During the photo- interpretation, the spatial relations between bedding plane attitude and slope aspect were also systematically determined. The landslide inventory map recognised 17,600 slope-failures that cover nearly 12.5% of the basin area. Landslides, which are mainly slide flow slide earth-flow and compound or complex movements, were classified and mapped as shallow or deep seated. A DTM, with a grid resolution of 25x25 m, was derived from digitised contour lines of base topographic maps, 1:25,000.in scale. The basin was then automatically partitioned into nearly 16,000 main slope-units through a specifically-designed software module that, starting from a high quality DTM gen- erates fully connected and complementary drainage and divide networks and a wide spectrum of morphometric parameters. Main slope-units were then subdivided accord- ing to the major rock types cropping out in the basin generating over 28,700 hydro- morphological-lithological terrain-units. Using the presence/absence of landslide in each terrain unit, as the grouping variable, a stepwise discriminant function was ap- plied to the terrain units. of the 50 variables entered into the discriminant function, 15 are lithological, 15 morphological, 11 express the structural setting or bedding plane attitude, 7 refer to land use and the last 2 reflect local climatic conditions. The model proved to be capable of correctly classifying as stable or unstable over 75% of the terrain units.

Safety analysis of urban arterials at the meso level.

PubMed

Li, Jia; Wang, Xuesong

2017-11-01

Urban arterials form the main structure of street networks. They typically have multiple lanes, high traffic volume, and high crash frequency. Classical crash prediction models investigate the relationship between arterial characteristics and traffic safety by treating road segments and intersections as isolated units. This micro-level analysis does not work when examining urban arterial crashes because signal spacing is typically short for urban arterials, and there are interactions between intersections and road segments that classical models do not accommodate. Signal spacing also has safety effects on both intersections and road segments that classical models cannot fully account for because they allocate crashes separately to intersections and road segments. In addition, classical models do not consider the impact on arterial safety of the immediately surrounding street network pattern. This study proposes a new modeling methodology that will offer an integrated treatment of intersections and road segments by combining signalized intersections and their adjacent road segments into a single unit based on road geometric design characteristics and operational conditions. These are called meso-level units because they offer an analytical approach between micro and macro. The safety effects of signal spacing and street network pattern were estimated for this study based on 118 meso-level units obtained from 21 urban arterials in Shanghai, and were examined using CAR (conditional auto regressive) models that corrected for spatial correlation among the units within individual arterials. Results showed shorter arterial signal spacing was associated with higher total and PDO (property damage only) crashes, while arterials with a greater number of parallel roads were associated with lower total, PDO, and injury crashes. The findings from this study can be used in the traffic safety planning, design, and management of urban arterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Interactive comparison and remediation of collections of macromolecular structures.

PubMed

Moriarty, Nigel W; Liebschner, Dorothee; Klei, Herbert E; Echols, Nathaniel; Afonine, Pavel V; Headd, Jeffrey J; Poon, Billy K; Adams, Paul D

2018-01-01

Often similar structures need to be compared to reveal local differences throughout the entire model or between related copies within the model. Therefore, a program to compare multiple structures and enable correction any differences not supported by the density map was written within the Phenix framework (Adams et al., Acta Cryst 2010; D66:213-221). This program, called Structure Comparison, can also be used for structures with multiple copies of the same protein chain in the asymmetric unit, that is, as a result of non-crystallographic symmetry (NCS). Structure Comparison was designed to interface with Coot(Emsley et al., Acta Cryst 2010; D66:486-501) and PyMOL(DeLano, PyMOL 0.99; 2002) to facilitate comparison of large numbers of related structures. Structure Comparison analyzes collections of protein structures using several metrics, such as the rotamer conformation of equivalent residues, displays the results in tabular form and allows superimposed protein chains and density maps to be quickly inspected and edited (via the tools in Coot) for consistency, completeness and correctness. © 2017 The Protein Society.

Appropriate evidence sources for populating decision analytic models within health technology assessment (HTA): a systematic review of HTA manuals and health economic guidelines.

PubMed

Zechmeister-Koss, Ingrid; Schnell-Inderst, Petra; Zauner, Günther

2014-04-01

An increasing number of evidence sources are relevant for populating decision analytic models. What is needed is detailed methodological advice on which type of data is to be used for what type of model parameter. We aim to identify standards in health technology assessment manuals and economic (modeling) guidelines on appropriate evidence sources and on the role different types of data play within a model. Documents were identified via a call among members of the International Network of Agencies for Health Technology Assessment and by hand search. We included documents from Europe, the United States, Canada, Australia, and New Zealand as well as transnational guidelines written in English or German. We systematically summarized in a narrative manner information on appropriate evidence sources for model parameters, their advantages and limitations, data identification methods, and data quality issues. A large variety of evidence sources for populating models are mentioned in the 28 documents included. They comprise research- and non-research-based sources. Valid and less appropriate sources are identified for informing different types of model parameters, such as clinical effect size, natural history of disease, resource use, unit costs, and health state utility values. Guidelines do not provide structured and detailed advice on this issue. The article does not include information from guidelines in languages other than English or German, and the information is not tailored to specific modeling techniques. The usability of guidelines and manuals for modeling could be improved by addressing the issue of evidence sources in a more structured and comprehensive format.

Domain Motion Enhanced (DoME) Model for Efficient Conformational Sampling of Multidomain Proteins.

PubMed

Kobayashi, Chigusa; Matsunaga, Yasuhiro; Koike, Ryotaro; Ota, Motonori; Sugita, Yuji

2015-11-19

Large conformational changes of multidomain proteins are difficult to simulate using all-atom molecular dynamics (MD) due to the slow time scale. We show that a simple modification of the structure-based coarse-grained (CG) model enables a stable and efficient MD simulation of those proteins. "Motion Tree", a tree diagram that describes conformational changes between two structures in a protein, provides information on rigid structural units (domains) and the magnitudes of domain motions. In our new CG model, which we call the DoME (domain motion enhanced) model, interdomain interactions are defined as being inversely proportional to the magnitude of the domain motions in the diagram, whereas intradomain interactions are kept constant. We applied the DoME model in combination with the Go model to simulations of adenylate kinase (AdK). The results of the DoME-Go simulation are consistent with an all-atom MD simulation for 10 μs as well as known experimental data. Unlike the conventional Go model, the DoME-Go model yields stable simulation trajectories against temperature changes and conformational transitions are easily sampled despite domain rigidity. Evidently, identification of domains and their interfaces is useful approach for CG modeling of multidomain proteins.

Optimal community structure for social contagions

NASA Astrophysics Data System (ADS)

Su, Zhen; Wang, Wei; Li, Lixiang; Stanley, H. Eugene; Braunstein, Lidia A.

2018-05-01

Community structure is an important factor in the behavior of real-world networks because it strongly affects the stability and thus the phase transition order of the spreading dynamics. We here propose a reversible social contagion model of community networks that includes the factor of social reinforcement. In our model an individual adopts a social contagion when the number of received units of information exceeds its adoption threshold. We use mean-field approximation to describe our proposed model, and the results agree with numerical simulations. The numerical simulations and theoretical analyses both indicate that there is a first-order phase transition in the spreading dynamics, and that a hysteresis loop emerges in the system when there is a variety of initially adopted seeds. We find an optimal community structure that maximizes spreading dynamics. We also find a rich phase diagram with a triple point that separates the no-diffusion phase from the two diffusion phases.

Discrete space charge affected field emission: Flat and hemisphere emitters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, Kevin L., E-mail: kevin.jensen@nrl.navy.mil; Shiffler, Donald A.; Tang, Wilkin

Models of space-charge affected thermal-field emission from protrusions, able to incorporate the effects of both surface roughness and elongated field emitter structures in beam optics codes, are desirable but difficult. The models proposed here treat the meso-scale diode region separate from the micro-scale regions characteristic of the emission sites. The consequences of discrete emission events are given for both one-dimensional (sheets of charge) and three dimensional (rings of charge) models: in the former, results converge to steady state conditions found by theory (e.g., Rokhlenko et al. [J. Appl. Phys. 107, 014904 (2010)]) but show oscillatory structure as they do. Surfacemore » roughness or geometric features are handled using a ring of charge model, from which the image charges are found and used to modify the apex field and emitted current. The roughness model is shown to have additional constraints related to the discrete nature of electron charge. The ability of a unit cell model to treat field emitter structures and incorporate surface roughness effects inside a beam optics code is assessed.« less

Argument structure hierarchy system and method for facilitating analysis and decision-making processes

DOEpatents

Janssen, Terry

2000-01-01

A system and method for facilitating decision-making comprising a computer program causing linkage of data representing a plurality of argument structure units into a hierarchical argument structure. Each argument structure unit comprises data corresponding to a hypothesis and its corresponding counter-hypothesis, data corresponding to grounds that provide a basis for inference of the hypothesis or its corresponding counter-hypothesis, data corresponding to a warrant linking the grounds to the hypothesis or its corresponding counter-hypothesis, and data corresponding to backing that certifies the warrant. The hierarchical argument structure comprises a top level argument structure unit and a plurality of subordinate level argument structure units. Each of the plurality of subordinate argument structure units comprises at least a portion of the grounds of the argument structure unit to which it is subordinate. Program code located on each of a plurality of remote computers accepts input from one of a plurality of contributors. Each input comprises data corresponding to an argument structure unit in the hierarchical argument structure and supports the hypothesis or its corresponding counter-hypothesis. A second programming code is adapted to combine the inputs into a single hierarchical argument structure. A third computer program code is responsive to the second computer program code and is adapted to represent a degree of support for the hypothesis and its corresponding counter-hypothesis in the single hierarchical argument structure.

Comparative Study on Cushion Performance Between 3D Printed Kelvin Structure and 3D Printed Lattice Structure

NASA Astrophysics Data System (ADS)

Priyadarshini, Lakshmi

Frequently transported packaging goods are more prone to damage due to impact, jolting or vibration in transit. Fragile goods, for example, glass, ceramics, porcelain are susceptible to mechanical stresses. Hence ancillary materials like cushions play an important role when utilized within package. In this work, an analytical model of a 3D cellular structure is established based on Kelvin model and lattice structure. The research will provide a comparative study between the 3D printed Kelvin unit structure and 3D printed lattice structure. The comparative investigation is based on parameters defining cushion performance such as cushion creep, indentation, and cushion curve analysis. The applications of 3D printing is in rapid prototyping where the study will provide information of which model delivers better form of energy absorption. 3D printed foam will be shown as a cost-effective approach as prototype. The research also investigates about the selection of material for 3D printing process. As cushion development demands flexible material, three-dimensional printing with material having elastomeric properties is required. Further, the concept of cushion design is based on Kelvin model structure and lattice structure. The analytical solution provides the cushion curve analysis with respect to the results observed when load is applied over the cushion. The results are reported on basis of attenuation and amplification curves.

Inhibition of amyloid oligomerization into different supramolecular architectures by small molecules: mechanistic insights and design rules.

PubMed

Brahmachari, Sayanti; Paul, Ashim; Segal, Daniel; Gazit, Ehud

2017-05-01

Protein misfolding and aggregation have been associated with several human disorders, including Alzheimer's, Parkinson's and Huntington's diseases, as well as senile systemic amyloidosis and Type II diabetes. However, there is no current disease-modifying therapy available for the treatment of these disorders. In spite of extensive academic, pharmaceutical, medicinal and clinical research, a complete mechanistic model for this family of diseases is still lacking. In this review, we primarily discuss the different types of small molecular entities which have been used for the inhibition of the aggregation process of different amyloidogenic proteins under diseased conditions. These include small peptides, polyphenols, inositols, quinones and their derivatives, and metal chelator molecules. In recent years, these groups of molecules have been extensively studied using in vitro, in vivo and computational models to understand their mechanism of action and common structural features underlying the process of inhibition. A salient feature found to be instrumental in the process of inhibition is the balance between the aromatic unit that functions as the amyloid recognition unit and the hydrophilic amyloid breaker unit. The establishment of structure-function relationship for amyloid-modifying therapies by the various functional entities should serve as an important step toward the development of efficient therapeutics.

Investigation of alternative organizational structures for a digitized platoon

NASA Astrophysics Data System (ADS)

Bossi, Linda L. M.; Tack, David W.; Angel, Harold A.; Vilhena, Paul G. S.; Frim, John

2006-05-01

To evaluate the effect of digitization on platoon effectiveness and investigate the suitability of different platoon structures, a twelve-day field trial was undertaken with a Company of light infantry at Fort Benning, Georgia. Test missions were conducted in both day and night conditions, in wooded and urban terrain environments, in each of three organizational structures, with and without digitization. The three different organizational structures included our current in-service 8-man Section, a 13-man USMC squad, and a distributed model comprising six four-man teams. Results of this study confirmed that the effectiveness of a dismounted platoon is significantly enhanced by the use of select digital enhancements in the areas of navigation, situation awareness, communications, and command. During night operations, digitally-enabled capabilities were the difference between mission success and failure. None of the organizational structures tested proved to be universally better than the others at optimizing the benefits of digitally-enhanced capabilities, although each had their strengths and weaknesses. However, considerable insights were gained in the organizational structure issues of distributed small unit command and control, swarming formation tactics, and the tactics, techniques, and procedures necessary to employ small units effectively in a NCW environment.

Status Report on the Geology of the Oak Ridge Reservation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hatcher, R.D., Jr.

1992-01-01

This report provides an introduction to the present state of knowledge of the geology of the Oak Ridge Reservation (ORR) and a cursory introduction to the hydrogeology. A detailed reported on hydrogeology is being produced in parallel to this one. An important element of this work is the construction of a modern detailed geologic map of the ORR containing subdivisions of all mappable rock units and displaying mesoscopic structural data. Understanding the geologic framework of the ORR is essential to many current and proposed activities related to land-use planning, waste management, environmental restoration, and waste remediation. This interim report ismore » the result of cooperation between geologists in two Oak Ridge National Laboratory (ORNL) divisions, Environmental Sciences and Energy, and is a major part of one doctoral dissertation in the Department of Geological Sciences at The University of Tennessee--Knoxville. Major long-term goals of geologic investigations in the ORR are to determine what interrelationships exist between fractures systems in individual rock or tectonic units and the fluid flow regimes, to understand how regional and local geology can be used to help predict groundwater movement, and to formulate a structural-hydrologic model that for the first time would enable prediction of the movement of groundwater and other subsurface fluids in the ORR. Understanding the stratigraphic and structural framework and how it controls fluid flow at depth should be the first step in developing a model for groundwater movement. Development of a state-of-the-art geologic and geophysical framework for the ORR is therefore essential for formulating an integrated structural-hydrologic model. This report is also intended to convey the present state of knowledge of the geologic and geohydrologic framework of the ORR and vicinity and to present some of the data that establish the need for additional geologic mapping and geohydrologic studies. An additional intended use should be for guided field trips or for self-guided tours by geoscientists. This guidebook provides the following: (1) the geologic setting of the ORR in the context of the Valley and Ridge province, (2) general descriptions of the major stratigraphic units mapped on the surface or recognized in drill holes, (3) a general description of geologic structure in the Oak Ridge area, (4) a discussion of the relationship between geology and geohydrology, and (5) descriptions of localities where each major stratigraphic unit may be observed in or near the ORR. Appendices contain field trip stop descriptions and data on soils.« less

Final Report for Dynamic Models for Causal Analysis of Panel Data. Methodological Overview. Part II, Chapter 1.

ERIC Educational Resources Information Center

Hannan, Michael T.

This technical document, part of a series of chapters described in SO 011 759, describes a basic model of panel analysis used in a study of the causes of institutional and structural change in nations. Panel analysis is defined as a record of state occupancy of a sample of units at two or more points in time; for example, voters disclose voting…

NEMS Freight Transportation Module Improvement Study

EIA Publications

2015-01-01

The U.S. Energy Information Administration (EIA) contracted with IHS Global, Inc. (IHS) to analyze the relationship between the value of industrial output, physical output, and freight movement in the United States for use in updating analytic assumptions and modeling structure within the National Energy Modeling System (NEMS) freight transportation module, including forecasting methodologies and processes to identify possible alternative approaches that would improve multi-modal freight flow and fuel consumption estimation.

Model-Based Compositional Reasoning for Complex Systems of Systems (SoS)

DTIC Science & Technology

2016-11-01

more structured approach for finding flaws /weaknesses in the systems . As the system is updated, either in response to a found flaw or new...AFRL-RQ-WP-TR-2016-0172 MODEL-BASED COMPOSITIONAL REASONING FOR COMPLEX SYSTEMS OF SYSTEMS (SoS) M. Anthony Aiello, Benjamin D. Rodes...LABORATORY AEROSPACE SYSTEMS DIRECTORATE WRIGHT-PATTERSON AIR FORCE BASE, OH 45433-7541 AIR FORCE MATERIEL COMMAND UNITED STATES AIR FORCE NOTICE

Information Memory Processing and Retrieval: Relationships of the Intellect with the Processing of a Learning and Cognition Task.

ERIC Educational Resources Information Center

Moser, Gene W.

Reported is one of a series of investigations of the Project on an Information Memory Model. This study was done to test an information memory model for identifying the unit of information structure involved in task cognitions by humans. Four groups of 30 randomly selected subjects (ages 7, 9, 11 and 15 years) performed a sorting task of 14…

Functional characterization of a novel 3D model of the epithelial-mesenchymal trophic unit.

PubMed

Bucchieri, Fabio; Pitruzzella, Alessandro; Fucarino, Alberto; Gammazza, Antonella Marino; Bavisotto, Celeste Caruso; Marcianò, Vito; Cajozzo, Massimo; Lo Iacono, Giorgio; Marchese, Roberto; Zummo, Giovanni; Holgate, Stephen T; Davies, Donna E

2017-03-01

Epithelial-mesenchymal communication plays a key role in tissue homeostasis and abnormal signaling contributes to chronic airways disease such as COPD. Most in vitro models are limited in complexity and poorly represent this epithelial-mesenchymal trophic unit. We postulated that cellular outgrowth from bronchial tissue would enable development of a mucosal structure that recapitulates better in vivo tissue architecture. Bronchial tissue was embedded in Matrigel and outgrowth cultures monitored using time-lapse microscopy, electrical resistance, light and electron microscopy. Cultures were challenged repetitively with cigarette smoke extract (CSE). The outgrowths formed as a multicellular sheet with motile cilia becoming evident as the Matrigel was remodeled to provide an air interface; cultures were viable for more than one year. Immunofluorescence and electron microscopy (EM) identified an upper layer of mucociliary epithelium and a lower layer of highly organized extracellular matrix (ECM) interspersed with fibroblastic cells separated by a basement membrane. EM analysis of the mucosal construct after repetitive exposure to CSE revealed epithelial damage, loss of cilia, and ECM remodeling, as occurs in vivo. We have developed a robust bronchial mucosal model. The structural changes observed following CSE exposure suggest the model should have utility for drug discovery and preclinical testing, especially those targeting airway remodeling.

Structural styles and zircon ages of the South Tianshan accretionary complex, Atbashi Ridge, Kyrgyzstan: Insights for the anatomy of ocean plate stratigraphy and accretionary processes

NASA Astrophysics Data System (ADS)

Sang, Miao; Xiao, Wenjiao; Orozbaev, Rustam; Bakirov, Apas; Sakiev, Kadyrbek; Pak, Nikolay; Ivleva, Elena; Zhou, Kefa; Ao, Songjian; Qiao, Qingqing; Zhang, Zhixin

2018-03-01

The anatomy of an ancient accretionary complex has a significance for a better understanding of the tectonic processes of accretionary orogens and complex because of its complicated compositions and strong deformation. With a thorough structural and geochronological study of a fossil accretionary complex in the Atbashi Ridge, South Tianshan (Kyrgyzstan), we analyze the structure and architecture of ocean plate stratigraphy in the western Central Asian Orogenic Belt. The architecture of the Atbashi accretionary complex is subdivisible into four lithotectonic assemblages, some of which are mélanges with "block-in-matrix" structure: (1) North Ophiolitic Mélange; (2) High-pressure (HP)/Ultra-high-pressure (UHP) Metamorphic Assemblage; (3) Coherent & Mélange Assemblage; and (4) South Ophiolitic Mélange. Relationships between main units are tectonic contacts presented by faults. The major structures and lithostratigraphy of these units are thrust-fold nappes, thrusted duplexes, and imbricated ocean plate stratigraphy. All these rock units are complicatedly stacked in 3-D with the HP/UHP rocks being obliquely southwestward extruded. Detrital zircon ages of meta-sediments provide robust constraints on their provenance from the Ili-Central Tianshan Arc. The isotopic ages of the youngest components of the four units are Late Permian, Early-Middle Triassic, Early Carboniferous, and Early Triassic, respectively. We present a new tectonic model of the South Tianshan; a general northward subduction polarity led to final closure of the South Tianshan Ocean in the End-Permian to Late Triassic. These results help to resolve the long-standing controversy regarding the subduction polarity and the timing of the final closure of the South Tianshan Ocean. Finally, our work sheds lights on the use of ocean plate stratigraphy in the analysis of the tectonic evolution of accretionary orogens.

Benefits of incorporating spatial organisation of catchments for a semi-distributed hydrological model

NASA Astrophysics Data System (ADS)

Schumann, Andreas; Oppel, Henning

2017-04-01

To represent the hydrological behaviour of catchments a model should reproduce/reflect the hydrologically most relevant catchment characteristics. These are heterogeneously distributed within a watershed but often interrelated and subject of a certain spatial organisation. Since common models are mostly based on fundamental assumptions about hydrological processes, the reduction of variance of catchment properties as well as the incorporation of the spatial organisation of the catchment is desirable. We have developed a method that combines the idea of the width-function used for determination of the geomorphologic unit hydrograph with information about soil or topography. With this method we are able to assess the spatial organisation of selected catchment characteristics. An algorithm was developed that structures a watershed into sub-basins and other spatial units to minimise its heterogeneity. The outcomes of this algorithm are used for the spatial setup of a semi-distributed model. Since the spatial organisation of a catchment is not bound to a single characteristic, we have to embed information of multiple catchment properties. For this purpose we applied a fuzzy-based method to combine the spatial setup for multiple single characteristics into a union, optimal spatial differentiation. Utilizing this method, we are able to propose a spatial structure for a semi-distributed hydrological model, comprising the definition of sub-basins and a zonal classification within each sub-basin. Besides the improved spatial structuring, the performed analysis ameliorates modelling in another way. The spatial variability of catchment characteristics, which is considered by a minimum of heterogeneity in the zones, can be considered in a parameter constrained calibration scheme in a case study both options were used to explore the benefits of incorporating the spatial organisation and derived parameter constraints for the parametrisation of a HBV-96 model. We use two benchmark model setups (lumped and semi-distributed by common approaches) to address the benefits for different time and spatial scales. Moreover, the benefits for calibration effort, model performance in validation periods and process extrapolation are shown.

Low-angle normal faulting and isostatic response in the Gulf of Suez: Evidence from seismic interpretation and geometric reconstruction

NASA Technical Reports Server (NTRS)

Perry, S. K.; Schamel, S.

1985-01-01

Tectonic extension within continental crust creates a variety of major features best classed as extensional orogens. These features have come under increasing attention in recent years, with the welding of field observation and theoretical concepts. Most recent advances have come from the Basin and Range Province of the southwestern United States and from the North Sea. Application of these geometric and isostatic concepts, in combination with seismic interpretation, to the southern Gulf of Suez, an active extensional orogen, allows generation of detailed structural maps and geometrically balanced sections which suggest a regional structural model. Geometric models which should prove to be a valuable adjunct to numerical and thermal models for the rifting process are discussed.

Structural analysis of β-prism lectin from Colocasia esculenta (L.) S chott.

PubMed

Vajravijayan, S; Pletnev, S; Pletnev, V Z; Nandhagopal, N; Gunasekaran, K

2016-10-01

The Mannose-binding β-Prism Colocasia esculenta lectin (β-PCL) was purified from tubers using ion exchange chromatography. The purified β-PCL appeared as a single band of ∼12kDa on SDS-PAGE. β-PCL crystallizes in trigonal space group P3121 and diffracted to a resolution of 2.1Å. The structure was solved using Molecular replacement using Crocus vernus lectin (PDB: 3MEZ) as a model. From the final refined model to an R-factor of 16.5% and an Rfree of 20.4%, it has been observed that the biological unit consists of two β-Prism domains augmented through C-terminals swap over to form one of faces for each domain. Cα superposition of individual domains of β-PCL with individual domains of other related structures and superposition of whole protein structures were carried out. The higher RMS deviation for the superposition of whole structures suggest that β-prism domains assume different orientation in each structure. Copyright © 2016 Elsevier B.V. All rights reserved.

Overview of the Special Issue: A Multi-Model Framework to ...

EPA Pesticide Factsheets

The Climate Change Impacts and Risk Analysis (CIRA) project establishes a new multi-model framework to systematically assess the impacts, economic damages, and risks from climate change in the United States. The primary goal of this framework to estimate how climate change impacts and damages in the United States are avoided or reduced due to global greenhouse gas (GHG) emissions mitigation scenarios. Scenarios are designed to explore key uncertainties around the measurement of these changes. The modeling exercise presented in this Special Issue includes two integrated assessment models and 15 sectoral models encompassing six broad impacts sectors - water resources, electric power, infrastructure, human health, ecosystems, and forests. Three consistent emissions scenarios are used to analyze the benefits of global GHG mitigation targets: a reference and two policy scenarios, with total radiative forcing in 2100 of 10.0W/m2, 4.5W/m2, and 3.7W/m2. A range of climate sensitivities, climate models, natural variability measures, and structural uncertainties of sectoral models are examined to explore the implications of key uncertainties. This overview paper describes the motivations, goals, design, and academic contribution of the CIRA modeling exercise and briefly summarizes the subsequent papers in this Special Issue. A summary of results across impact sectors is provided showing that: GHG mitigation provides benefits to the United States that increase over

Integrating occupancy modeling and interview data for corridor identification: A case study for jaguars in Nicaragua

USGS Publications Warehouse

Zeller, K.A.; Nijhawan, S.; Salom-Perez, R.; Potosme, S.H.; Hines, J.E.

2011-01-01

Corridors are critical elements in the long-term conservation of wide-ranging species like the jaguar (Panthera onca). Jaguar corridors across the range of the species were initially identified using a GIS-based least-cost corridor model. However, due to inherent errors in remotely sensed data and model uncertainties, these corridors warrant field verification before conservation efforts can begin. We developed a novel corridor assessment protocol based on interview data and site occupancy modeling. We divided our pilot study area, in southeastern Nicaragua, into 71, 6. ??. 6 km sampling units and conducted 160 structured interviews with local residents. Interviews were designed to collect data on jaguar and seven prey species so that detection/non-detection matrices could be constructed for each sampling unit. Jaguars were reportedly detected in 57% of the sampling units and had a detection probability of 28%. With the exception of white-lipped peccary, prey species were reportedly detected in 82-100% of the sampling units. Though the use of interview data may violate some assumptions of the occupancy modeling approach for determining 'proportion of area occupied', we countered these shortcomings through study design and interpreting the occupancy parameter, psi, as 'probability of habitat used'. Probability of habitat use was modeled for each target species using single state or multistate models. A combination of the estimated probabilities of habitat use for jaguar and prey was selected to identify the final jaguar corridor. This protocol provides an efficient field methodology for identifying corridors for easily-identifiable species, across large study areas comprised of unprotected, private lands. ?? 2010 Elsevier Ltd.

Modeling and characterization of shielded low loss CPWs on 65 nm node silicon

NASA Astrophysics Data System (ADS)

Hongrui, Wang; Dongxu, Yang; Li, Zhang; Lei, Zhang; Zhiping, Yu

2011-06-01

Coplanar waveguides (CPWs) are promising candidates for high quality passive devices in millimeter-wave frequency bands. In this paper, CPW transmission lines with and without ground shields have been designed and fabricated on 65 nm CMOS technology. A physical-based model is proposed to describe the frequency-dependent per-unit-length L, C, R and G parameters. Starting with a basic CPW structure, the slow-wave effect and ground-shield influence have been analyzed and incorporated into the general model. The accuracy of the model is confirmed by experimental results.

Early Grade Writing Assessment: An Instrument Model.

PubMed

Jiménez, Juan E

The United Nations Educational, Scientific, and Cultural Organization promoted the creation of a model instrument for individual assessment of students' foundational writing skills in the Spanish language that was based on a literature review and existing writing tools and assessments. The purpose of the Early Grade Writing Assessment (EGWA) is to document learners' basic writing skills, mapped in composing units of increasing complexity to communicate meaning. Validation and standardization of EGWA was conducted in the Canary Islands (Spain) in 12 schools using a cross-sectional design with a sample of 1,653 Spanish-speaking students in Grades 1 through 3. The author describes EGWA's internal structure, along with the prevalence of learning disabilities (LD) in transcription and developmental differences in writing between Spanish-speaking children with LD and typical peers. Findings suggest that EGWA's psychometric characteristics are satisfactory, and its internal structure can be attributed to four factors responsible for a high percentage of the variance. The odds ratio indicated that 2 Spanish-speaking children with LD in transcription are identified out of every 100. A comparison between students with and without LD in transcription revealed statistically significant differences concerning sentence and text production across grades. Results are interpreted within current theoretical accounts of writing models.

The US business cycle: power law scaling for interacting units with complex internal structure

NASA Astrophysics Data System (ADS)

Ormerod, Paul

2002-11-01

In the social sciences, there is increasing evidence of the existence of power law distributions. The distribution of recessions in capitalist economies has recently been shown to follow such a distribution. The preferred explanation for this is self-organised criticality. Gene Stanley and colleagues propose an alternative, namely that power law scaling can arise from the interplay between random multiplicative growth and the complex structure of the units composing the system. This paper offers a parsimonious model of the US business cycle based on similar principles. The business cycle, along with long-term growth, is one of the two features which distinguishes capitalism from all previously existing societies. Yet, economics lacks a satisfactory theory of the cycle. The source of cycles is posited in economic theory to be a series of random shocks which are external to the system. In this model, the cycle is an internal feature of the system, arising from the level of industrial concentration of the agents and the interactions between them. The model-in contrast to existing economic theories of the cycle-accounts for the key features of output growth in the US business cycle in the 20th century.

Cloud immersion building shielding factors for US residential structures.

PubMed

Dickson, E D; Hamby, D M

2014-12-01

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario within a semi-infinite cloud of radioactive material. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement, as well for single-wide manufactured housing-units.

Holographic shell model: Stack data structure inside black holes?

NASA Astrophysics Data System (ADS)

Davidson, Aharon

2014-03-01

Rather than tiling the black hole horizon by Planck area patches, we suggest that bits of information inhabit, universally and holographically, the entire black core interior, a bit per a light sheet unit interval of order Planck area difference. The number of distinguishable (tagged by a binary code) configurations, counted within the context of a discrete holographic shell model, is given by the Catalan series. The area entropy formula is recovered, including Cardy's universal logarithmic correction, and the equipartition of mass per degree of freedom is proven. The black hole information storage resembles, in the count procedure, the so-called stack data structure.

Redox-active porous coordination polymers prepared by trinuclear heterometallic pivalate linking with the redox-active nickel(II) complex: synthesis, structure, magnetic and redox properties, and electrocatalytic activity in organic compound dehalogenation in heterogeneous medium.

PubMed

Lytvynenko, A S; Kolotilov, S V; Kiskin, M A; Cador, O; Golhen, S; Aleksandrov, G G; Mishura, A M; Titov, V E; Ouahab, L; Eremenko, I L; Novotortsev, V M

2014-05-19

Linking of the trinuclear pivalate fragment Fe2CoO(Piv)6 by the redox-active bridge Ni(L)2 (compound 1; LH is Schiff base from hydrazide of 4-pyridinecarboxylic acid and 2-pyridinecarbaldehyde, Piv(-) = pivalate) led to formation of a new porous coordination polymer (PCP) {Fe2CoO(Piv)6}{Ni(L)2}1.5 (2). X-ray structures of 1 and 2 were determined. A crystal lattice of compound 2 is built from stacked 2D layers; the Ni(L)2 units can be considered as bridges, which bind two Fe2CoO(Piv)6 units. In desolvated form, 2 possesses a porous crystal lattice (SBET = 50 m(2) g(-1), VDR = 0.017 cm(3) g(-1) estimated from N2 sorption at 78 K). At 298 K, 2 absorbed a significant quantity of methanol (up to 0.3 cm(3) g(-1)) and chloroform. Temperature dependence of molar magnetic susceptibility of 2 could be fitted as superposition of χMT of Fe2CoO(Piv)6 and Ni(L)2 units, possible interactions between them were taken into account using molecular field model. In turn, magnetic properties of the Fe2CoO(Piv)6 unit were fitted using two models, one of which directly took into account a spin-orbit coupling of Co(II), and in the second model the spin-orbit coupling of Co(II) was approximated as zero-field splitting. Electrochemical and electrocatalytic properties of 2 were studied by cyclic voltammetry in suspension and compared with electrochemical and electrocatalytic properties of a soluble analogue 1. A catalytic effect was determined by analysis of the catalytic current dependency on concentrations of the substrate. Compound 1 possessed electrocatalytic activity in organic halide dehalogenation, and such activity was preserved for the Ni(L)2 units, incorporated into the framework of 2. In addition, a new property occurred in the case of 2: the catalytic activity of PCP depended on its sorption capacity with respect to the substrate. In contrast to homogeneous catalysts, usage of solid PCPs may allow selectivity due to porous structure and simplify separation of product.