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Sample records for structural mechanics approach

  1. A damage mechanics based approach to structural deterioration and reliability

    Energy Technology Data Exchange (ETDEWEB)

    Bhattcharya, B.; Ellingwood, B. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Civil Engineering

    1998-02-01

    Structural deterioration often occurs without perceptible manifestation. Continuum damage mechanics defines structural damage in terms of the material microstructure, and relates the damage variable to the macroscopic strength or stiffness of the structure. This enables one to predict the state of damage prior to the initiation of a macroscopic flaw, and allows one to estimate residual strength/service life of an existing structure. The accumulation of damage is a dissipative process that is governed by the laws of thermodynamics. Partial differential equations for damage growth in terms of the Helmholtz free energy are derived from fundamental thermodynamical conditions. Closed-form solutions to the equations are obtained under uniaxial loading for ductile deformation damage as a function of plastic strain, for creep damage as a function of time, and for fatigue damage as function of number of cycles. The proposed damage growth model is extended into the stochastic domain by considering fluctuations in the free energy, and closed-form solutions of the resulting stochastic differential equation are obtained in each of the three cases mentioned above. A reliability analysis of a ring-stiffened cylindrical steel shell subjected to corrosion, accidental pressure, and temperature is performed.

  2. SPACE Approach to Concrete's Space Structure and its Mechanical Properties

    NARCIS (Netherlands)

    Stroeven, P.; Stroeven, M.

    2001-01-01

    Structural properties of particulate materials can be described in densities of the particle packing, more generally denoted as particle composition. Obviously, this global measure does not offer information on the way particles are mutually arranged in space. This is associated with particle

  3. Structural, electronic, mechanical and quantum transport of ultrathin gold nanowire: A density functional approach

    Science.gov (United States)

    Jariwala, P. H.; Gupta, Sanjeev K.; Sonvane, Y. A.; Thakor, P. B.

    2017-06-01

    We have scrutinized the gold (Au) nanowires with distinct cross-section with 1-10 Au atoms for each unit cell by density-functional approach and performed first-principles computation. Here, we have investigated structural, electronic, transport and mechanical characteristic of Au nanowires. The structural characteristic of cubic bulk and nanowires of Au are very diverse from each other. The electronic density of state (DOS) and band structures of different formations express that all the nanowires are very good conductor in nature. The figure of conduction channels leans on number of atoms for each unit cell, diameter and structure of nanowires. We also inspect that the electronic thermal conductivities dependency on the temperature and we found that all the considered AuNWs have low conductivity than that of the bulk Au. Our results show that AuNWs have potential application in electronic devices like nanoelectro-mechanical systems (NEMS).

  4. STRUCTURE OF ECONOMIC MECHANISM

    Directory of Open Access Journals (Sweden)

    L. I. Podderegina

    2006-01-01

    Full Text Available The paper considers and analyzes scientific approaches of economists to the essence and contents of the economic mechanism. Proposals for methodological formation of economic mechanism structure are substantiated in the paper.

  5. Approach to Operational Experimental Estimation of Static Stresses of Elements of Mechanical Structures

    Science.gov (United States)

    Sedov, A. V.; Kalinchuk, V. V.; Bocharova, O. V.

    2018-01-01

    The evaluation of static stresses and strength of units and components is a crucial task for increasing reliability in the operation of vehicles and equipment, to prevent emergencies, especially in structures made of metal and composite materials. At the stage of creation and commissioning of structures to control the quality of manufacturing of individual elements and components, diagnostic control methods are widely used. They are acoustic, ultrasonic, X-ray, radiation methods and others. The using of these methods to control the residual life and the degree of static stresses of units and parts during operation is fraught with great difficulties both in methodology and in instrumentation. In this paper, the authors propose an effective approach of operative control of the degree of static stresses of units and parts of mechanical structures which are in working condition, based on recording the changing in the surface wave properties of a system consisting of a sensor and a controlled environment (unit, part). The proposed approach of low-frequency diagnostics of static stresses presupposes a new adaptive-spectral analysis of a surface wave created by external action (impact). It is possible to estimate implicit stresses of structures in the experiment due to this approach.

  6. Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach.

    Science.gov (United States)

    Males, Alexandra; Raich, Lluís; Williams, Spencer J; Rovira, Carme; Davies, Gideon J

    2017-08-04

    The varied yet family-specific conformational pathways used by individual glycoside hydrolases (GHs) offer a tantalising prospect for the design of tightly binding and specific enzyme inhibitors. A cardinal example of a GH-family-specific inhibitor, and one that finds widespread practical use, is the natural product kifunensine, which is a low-nanomolar inhibitor that is selective for GH family 47 inverting α-mannosidases. Here we show, through quantum-mechanical approaches, that kifunensine is restrained to a "ring-flipped" 1 C4 conformation with another accessible, but higher-energy, region around the 1,4 B conformation. The conformations of kifunensine in complex with a range of GH47 enzymes-including an atomic-level resolution (1 Å) structure of kifunensine with Caulobacter sp. CkGH47 reported herein and with GH family 38 and 92 α-mannosidases-were mapped onto the kifunensine free-energy landscape. These studies revealed that kifunensine has the ability to mimic the product state of GH47 enzymes but cannot mimic any conformational states relevant to the reaction coordinate of mannosidases from other families. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Solid mechanics a variational approach

    CERN Document Server

    Dym, Clive L

    2013-01-01

    Solid Mechanics: A Variational Approach, Augmented Edition presents a lucid and thoroughly developed approach to solid mechanics for students engaged in the study of elastic structures not seen in other texts currently on the market. This work offers a clear and carefully prepared exposition of variational techniques as they are applied to solid mechanics. Unlike other books in this field, Dym and Shames treat all the necessary theory needed for the study of solid mechanics and include extensive applications. Of particular note is the variational approach used in developing consistent structural theories and in obtaining exact and approximate solutions for many problems.  Based on both semester and year-long courses taught to undergraduate seniors and graduate students, this text is geared for programs in aeronautical, civil, and mechanical engineering, and in engineering science. The authors’ objective is two-fold: first, to introduce the student to the theory of structures (one- and two-dimensional) as ...

  8. Fracture mechanics analysis approach to assess structural integrity of the first confinement boundaries in ITER Generic Upper Port Plug structure

    Energy Technology Data Exchange (ETDEWEB)

    Guirao, Julio, E-mail: julio@natec-ingenieros.com [Numerical Analysis Technologies S.L. (NATEC), Gijon (Spain); Iglesias, Silvia; Vacas, Christian; Udintsev, Victor [CHD, Diagnostic Division, ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St. Paul Lez Durance Cedex (France); Pak, Sunil [Diagnostic and Control Team, National Fusion Research Institute, Daejeon (Korea, Republic of); Maquet, Philippe [CHD, Diagnostic Division, ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St. Paul Lez Durance Cedex (France); Rodriguez, Eduardo; Roces, Jorge [Department of Construction and Manufacturing Engineering, University of Oviedo, Gijon (Spain)

    2015-10-15

    Highlights: • A parametric submodel of the spot under study is developed. • The associated macro has the capability to successively re-build the submodel implementing the crack with the geometry of the updated crack front as a function of the predicted increments of length in the apexes of the crack from the calculated stress intensity factor at the crack front. • The analysis incorporates the crack behavior model to predict the evolution of the postulated defect under the application of the different transients. • The analysis is based on the Elasto-Plastic Fracture Mechanics (EPFM) theory to account for the ductility of the materials (316LN type stainless steel). - Abstract: This paper demonstrates structural integrity of the first confinement boundary in Generic Upper Port Plug structures against cracking during service. This constitutes part of the justification to demonstrate that the non-aggression to the confinement barrier requirement may be compatible with the absent of a specific in-service inspections (ISI) program in the trapezoidal section. Since the component will be subjected to 100% volumetric inspections it can be assumed that no defects below the threshold of applied Nondestructive Evaluation techniques will be present before its commissioning. Cracks during service would be associated to defects under Code acceptance limit. This limit can be reasonably taken as 2 mm. Using elastic–plastic fracture mechanics an initial defect is postulated at the worst location in terms of probability and impact on the confinement boundary. Its evolution is simulated through finite element analysis and final dimension at the end of service is estimated. Applying the procedures in RCC-MR 2007 (App-16) the stability of the crack is assessed. As relative high safety margin was achieved, a complementary assessment postulating an initial defect of 6 mm was also conducted. New margin calculated provides a more robust design.

  9. Estimation of the physiological mechanical conditioning in vascular tissue engineering by a predictive fluid-structure interaction approach.

    Science.gov (United States)

    Tresoldi, Claudia; Bianchi, Elena; Pellegata, Alessandro Filippo; Dubini, Gabriele; Mantero, Sara

    2017-08-01

    The in vitro replication of physiological mechanical conditioning through bioreactors plays a crucial role in the development of functional Small-Caliber Tissue-Engineered Blood Vessels. An in silico scaffold-specific model under pulsatile perfusion provided by a bioreactor was implemented using a fluid-structure interaction (FSI) approach for viscoelastic tubular scaffolds (e.g. decellularized swine arteries, DSA). Results of working pressures, circumferential deformations, and wall shear stress on DSA fell within the desired physiological range and indicated the ability of this model to correctly predict the mechanical conditioning acting on the cells-scaffold system. Consequently, the FSI model allowed us to a priori define the stimulation pattern, driving in vitro physiological maturation of scaffolds, especially with viscoelastic properties.

  10. Strain gradient crystal plasticity: A continuum mechanics approach to modeling micro-structural evolution

    DEFF Research Database (Denmark)

    El-Naaman, Salim Abdallah; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2015-01-01

    In agreement with dislocation theory, recent experiments show, both quantitatively and qualitatively, how geometrically necessary dislocations (GNDs) distribute in dislocation wall and cell structures. Hence, GND density fields are highly localized with large gradients and discontinuities occurri...

  11. Experimental study and numerical simulation on the structural and mechanical properties of Typha leaves through multimodal microscopy approaches.

    Science.gov (United States)

    Liu, Jingjing; Zhang, Zhihui; Yu, Zhenglei; Liang, Yunhong; Li, Xiujuan; Ren, Luquan

    2018-01-01

    The Typha leaf, with special multi-level structure, low density and excellent mechanical properties, is an ideal bionic prototype utilized for lightweight design. In order to further study the relationship between the structure and mechanical properties, the three-dimensional macroscopic morphology of Typha leaves was characterized by micro computed tomography (Micro-CT) and its internal microstructure was observed by scanning electron microscopy (SEM). The combination of experimental and computational research was carried out in this paper, to reveal and verify the effect of multi-level structure on the mechanical properties. A universal testing machine and a self-developed mechanical testing apparatus with high precision and low load were used to measure the mechanical properties of the axial compression and lateral bending of the leaves, respectively. Three models with different internal structures were established based on the above-mentioned three-dimensional morphologies. The result demonstrated that the structure of partitions and diaphragms within the Typha leaf could form a reinforcement ribs structure which could provide multiple load paths and make the process of compression and bending difficult. The further nonlinear finite element analysis through LS-DYNA proved that internal structure could improve the ability of the models to resist compression and deformation. The investigation can be the reference for lightweight thin-walled structure design and inspire the application of the bionic structural materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Probabilistic approach to mechanisms

    CERN Document Server

    Sandler, BZ

    1984-01-01

    This book discusses the application of probabilistics to the investigation of mechanical systems. The book shows, for example, how random function theory can be applied directly to the investigation of random processes in the deflection of cam profiles, pitch or gear teeth, pressure in pipes, etc. The author also deals with some other technical applications of probabilistic theory, including, amongst others, those relating to pneumatic and hydraulic mechanisms and roller bearings. Many of the aspects are illustrated by examples of applications of the techniques under discussion.

  13. A quantitative assessment approach of feasible optical mechanisms contributing to structural color of golden-like Chrysina aurigans scarab beetles

    Science.gov (United States)

    Azofeifa, D. E.; Hernández-Jiménez, M.; Libby, E.; Solís, A.; Barboza-Aguilar, C.; Vargas, W. E.

    2015-07-01

    Under normal incidence of non-polarized light, reflection spectra from the cuticle of golden-like C. aurigans scarabs shows a broad band displayed from 525 to 950 nm, with a spectral ripple structure that consists of a uniform sequence of peaks superimposed on the main reflection band. Cross sectional Scanning Electron Microscope (SEM) images of the cuticle initially suggest the presence of a multilayered structure. A radiative transfer matrix formalism is first applied to describe as much as possible the main features of coherent reflection spectra, by assuming optically homogenous layers distributed through the exocuticle, with chitin as the major constituent material. Additional non-coherent multiple reflections due to layers in the endocuticle are also evaluated from this approach. The presence of a pigmented micron sized structure beneath the procuticle requires the evaluation of a diffuse light contribution to the reflection. This was carried out from a four-flux radiative transfer model. Optical anisotropy is introduced by interpreting the SEM images in terms of a twisted Bouligand-type structure, and reflection spectra are evaluated from an implementation of the so-called 4×4 Berreman's formalism. We have been able to approach the main features characterizing the reflection spectra of C. aurigans' elytra following this progressive way.

  14. Evaluation of Nanomaterial Approaches to Damping in Epoxy Resin and Carbon Fiber/Epoxy Composite Structures by Dynamic Mechanical Analysis

    Science.gov (United States)

    Miller, G.; Heimann, Paula J.; Scheiman, Daniel A.; Duffy, Kirsten P.; Johnston, J. Chris; Roberts, Gary D.

    2013-01-01

    Vibration mitigation in composite structures has been demonstrated through widely varying methods which include both active and passive damping. Recently, nanomaterials have been investigated as a viable approach to composite vibration damping due to the large surface available to generate energy dissipation through friction. This work evaluates the influence of dispersed nanoparticles on the damping ratio of an epoxy matrix. Limited benefit was observed through dispersion methods, however nanoparticle application as a coating resulting in up to a three-fold increase in damping.

  15. Statics and mechanics of structures

    CERN Document Server

    Krenk, Steen

    2013-01-01

    The statics and mechanics of structures form a core aspect of civil engineering. This book provides an introduction to the subject, starting from classic hand-calculation types of analysis and gradually advancing to a systematic form suitable for computer implementation. It starts with statically determinate structures in the form of trusses, beams and frames. Instability is discussed in the form of the column problem - both the ideal column and the imperfect column used in actual column design. The theory of statically indeterminate structures is then introduced, and the force and deformation methods are explained and illustrated. An important aspect of the book’s approach is the systematic development of the theory in a form suitable for computer implementation using finite elements. This development is supported by two small computer programs, MiniTruss and MiniFrame, which permit static analysis of trusses and frames, as well as linearized stability analysis. The book’s final section presents related ...

  16. Statics and Mechanics of Structures

    DEFF Research Database (Denmark)

    Krenk, Steen; Høgsberg, Jan Becker

    The statics and mechanics of structures form a core aspect of civil engineering. This book provides an introduction to the subject, starting from classic hand-calculation types of analysis and gradually advancing to a systematic form suitable for computer implementation. It starts with statically...... are explained and illustrated. An important aspect of the book’s approach is the systematic development of the theory in a form suitable for computer implementation using finite elements. This development is supported by two small computer programs, MiniTruss and MiniFrame, which permit static analysis...... determinate structures in the form of trusses, beams and frames. Instability is discussed in the form of the column problem - both the ideal column and the imperfect column used in actual column design. The theory of statically indeterminate structures is then introduced, and the force and deformation methods...

  17. Influence of Boundary Conditions and Defects on the Buckling Behavior of SWCNTs via a Structural Mechanics Approach

    Directory of Open Access Journals (Sweden)

    Vali Parvaneh

    2011-01-01

    Full Text Available The effects of boundary conditions and defects on the buckling behavior of SWCNTs are investigated using a structural mechanics model. Due to the application of carbon nanotubes in different fields such as NEMS, where they are subjected to different loading and boundary conditions, an investigation of buckling behavior of nanotubes with different boundary conditions is necessary. Critical buckling loads and the effects of vacancy and Stone-Wales defects were studied for zigzag and armchair nanotubes with various boundary conditions and aspect ratios (length/diameter. The comparison of our results with those of the buckling of shells with cutouts indicates that vacancy defects in carbon nanotubes can most likely be modeled as cutouts of the shells. Finally, a hybrid vacancy defect and Stone-Wales defect are also developed, and their effect on the critical buckling loads is studied.

  18. Structural transformations of mechanically induced top-down approach BaFe{sub 12}O{sub 19} nanoparticles synthesized from high crystallinity bulk materials

    Energy Technology Data Exchange (ETDEWEB)

    Low, Zhi Huang [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Chen, Soo Kien [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Department of Physics, Faculty of Science, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Ismail, Ismayadi, E-mail: kayzen@gmail.com [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Tan, Kim Song [Advanced Imaging Centre, Malaysian Rubber Board, RRIM Sungai Buloh, 47000 Selangor (Malaysia); Liew, J.Y.C. [Department of Physics, Faculty of Science, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia)

    2017-05-01

    In this work, a top-down approach was applied to high crystallinity BaFe{sub 12}O{sub 19} bulks, breaking them into smaller nanoparticles by mechanochemical route. The effects of milling time, reaction mechanisms and structural information were investigated. Interestingly, three distinct stages of the mechanochemical mechanism were observed. The XRD results indicated that the BaFe{sub 12}O{sub 19} phase existed even though the mechanical energy had induced the formation of an amorphous phase in the material. The average crystallite size decreased during the first stage and the intermediate stage, and increased during the final stage of the mechanical alloying. A Rietveld refinement analysis suggested the deformation of a mechanically-triggered polyhedral in the magnetoplumbite structure. FESEM micrographs indicated that fragmentation predominated during the first and intermediate stages, until a steady equilibrium state was achieved at in the final stage, where a narrow particle size distribution was observed. HRTEM micrographs suggested the formation of a non-uniform nanostructure shell surrounding the ordered core materials at the edge-interface region. The thickness of the amorphous surface layer extended up to 12 nm during the first and intermediate stages, and diminished to approximately 3 nm after 20 h milling. VSM results showed a mixture of ferromagnetic, superparamagnetic, and paramagnetic behaviours. However, different magnetic behaviours predominated at different milling time, which strongly related to the defects, distorted polyhedra, and non-equilibrium amorphous layers of the material. - Highlights: • Nanoparticles of BaFe{sub 12}O{sub 19} are successfully prepared. • Morphological and structural properties rely on mechanochemical mechanism. • Three stages of mechanochemical mechanism was observed. • Core shell structures (3–12 nm) was found during by extending the milling time. • Magnetic properties were strongly related with the

  19. The Effect of Atom Vacancy Defect on the Vibrational Behavior of Single-Walled Carbon Nanotubes: A Structural Mechanics Approach

    Directory of Open Access Journals (Sweden)

    S. K. Georgantzinos

    2014-04-01

    Full Text Available An atomistic structural mechanics method, which is based on the exclusive use of spring elements, is developed in order to study the effect of imperfections due to atom vacancy on the vibrational characteristics of single-walled carbon nanotubes (SWCNTs. The developed elements simulate the relative translations and rotations between atoms as well as the mass of the atoms. In this way, molecular mechanics theory can be applied directly because the atomic bonds are modeled by using exclusively physical variables such as bond stretching. The method is validated for its predictability comparing with vibration results found in the open literature for pristine nanotubes. Then, it is used for the vibration analysis of defective nanotubes. Imperfections such as one-atom vacancy, two-atom vacancy, and one carbon hexagonal cell vacancy are investigated. Their effect on vibrational behavior is explored for different defect positions, nanotube diameters, and support conditions. According to the obtained results, the fundamental frequency is decreased as the size of imperfection increases, and the percentage reduction in fundamental frequency due to the atomic vacancy defect is more affected for a single-clamped SWCNT than for a double-clamped one.

  20. Computational structural mechanics for engine structures

    Science.gov (United States)

    Chamis, C. C.

    1989-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

  1. Statics and Mechanics of Structures

    DEFF Research Database (Denmark)

    Krenk, Steen; Høgsberg, Jan Becker

    are explained and illustrated. An important aspect of the book’s approach is the systematic development of the theory in a form suitable for computer implementation using finite elements. This development is supported by two small computer programs, MiniTruss and MiniFrame, which permit static analysis......The statics and mechanics of structures form a core aspect of civil engineering. This book provides an introduction to the subject, starting from classic hand-calculation types of analysis and gradually advancing to a systematic form suitable for computer implementation. It starts with statically...... of trusses and frames, as well as linearized stability analysis. The book’s final section presents related strength of materials subjects in greater detail; these include stress and strain, failure criteria, and normal and shear stresses in general beam flexure and in beam torsion....

  2. Masonry structures between mechanics and architecture

    CERN Document Server

    Pedemonte, Orietta; Williams, Kim

    2015-01-01

    This book provides an overview of state of the art research in the mechanics of masonry structures. It continues the series Between Mechanics and Architecture, initially launched in 1995 from the collaboration of several renowned scholars, including Edoardo Benvenuto and Patricia Radelet-de Grave.   The contributions in this volume represent the main approaches to the complex topic of masonry structures. In addition to historical studies, the mechanical behavior of masonry arches and structures is studied using different approaches (structural analysis, limit analysis, elastic analysis, plasticity, mathematical approaches, etc.), at times difficult to reconcile, at others intertwined and complementary.   Readers will have the opportunity to compare different theoretical lines of inquiry and thus explore new horizons of research.   Contributions by: Danila Aita Andrea Bacigalupo Riccardo Barsotti Stefano Bennati Antonio Brencich Mario Como Salvatore D’Agostino Luigi Gambarotta Jacques Heyman Santiago Huer...

  3. Mechanics of Failure Mechanisms in Structures

    CERN Document Server

    Carlson, R L; Craig, J I

    2012-01-01

    This book focuses on the mechanisms and underlying mechanics of failure in various classes of materials such as metallic, ceramic, polymeric, composite and bio-material.  Topics include tensile and compressive fracture, crack initiation and growth, fatigue and creep rupture in metallic materials, matrix cracking and delamination and environmental degradation in polymeric composites, failure of bio-materials such as prosthetic heart valves and prosthetic hip joints, failure of ceramics and ceramic matrix composites, failure of metallic matrix composites, static and dynamic buckling failure, dynamic excitations and creep buckling failure in structural systems. Chapters are devoted to failure mechanisms that are characteristic of each of the materials.  The work also provides the basic elements of fracture mechanics and studies in detail several niche topics such as the effects of toughness gradients, variable amplitude loading effects in fatigue, small fatigue cracks, and creep induced brittleness. Furthe...

  4. Mechanics issues in intelligent structures

    Science.gov (United States)

    Sirkis, J. S.; Dasgupta, A.

    This paper describes many of the fundamental mechanics issues currently inhibiting the realization of the 'intelligent structures' concept. We view what is commonly referred to as 'intelligent structures' more as sensory and adaptive materials and structures that use distributed networks of structurally integrated actuator and sensor devices to achieve self-monitoring and self-adapting capabilities. Each embedded micro-device has a very localized response on the microscale to an input stimulus, which combines with the localized response of the other micro-devices in the network to produce a metered response in the macroscale structure. All length-scales posses inherent geometric, material, and time dependent non-linearities which must be successfully addressed. The goal of the mechanics research in 'intelligent structures' should be to model the inherent linear and nonlinear interaction mechanics so that accumulating modification to structural response can be predicted and then either accounted for or actively changed in some way.

  5. Application of Structural-Dynamic Approaches Provide Novel Insights Into the Enzymatic Mechanism of the Tumor Necrosis Factor-Alpha Converting Enzyme (TACE)

    Energy Technology Data Exchange (ETDEWEB)

    Sagi, I.; Milla, M

    2008-01-01

    reactions. Here we discuss the use of conventional and real-time structural-spectroscopic tools to study the reactive metal site during catalysis, and initial lessons on the enzymatic mechanism that we are learning. Approaches such as the ones presented here may be useful in the design of specific inhibitors as drug candidates.

  6. Application of structural-dynamic approaches provide novel insights into the enzymatic mechanism of the tumor necrosis factor-α converting enzyme (TACE)

    Science.gov (United States)

    Sagi, Irit; Milla, Marcos E.

    2007-01-01

    reactions. Here we discuss the use of conventional and real-time structural-spectroscopic tools to study the reactive metal site during catalysis, and initial lessons on the enzymatic mechanism that we are learning. Approaches such as the ones presented here may be useful in the design of specific inhibitors as drug candidates. PMID:17963710

  7. Structural Sustainability - Heuristic Approach

    Science.gov (United States)

    Rostański, Krzysztof

    2017-10-01

    Nowadays, we are faced with a challenge of having to join building structures with elements of nature, which seems to be the paradigm of modern planning and design. The questions arise, however, with reference to the following categories: the leading idea, the relation between elements of nature and buildings, the features of a structure combining such elements and, finally, our perception of this structure. If we consider both the overwhelming globalization and our attempts to preserve local values, the only reasonable solution is to develop naturalistic greenery. It can add its uniqueness to any building and to any developed area. Our holistic model, presented in this paper, contains the above mentioned categories within the scope of naturalism. The model is divided into principles, actions related, and possible effects to be obtained. It provides a useful tool for determining the ways and priorities of our design. Although it is not possible to consider all possible actions and solutions in order to support sustainability in any particular design, we can choose, however, a proper mode for our design according to the local conditions by turning to the heuristic method, which helps to choose priorities and targets. Our approach is an attempt to follow the ways of nature as in the natural environment it is optimal solutions that appear and survive, idealism being the domain of mankind only. We try to describe various natural processes in a manner comprehensible to us, which is always a generalization. Such definitions, however, called artificial by naturalists, are presented as art or the current state of knowledge by artists and engineers. Reality, in fact, is always more complicated than its definitions. The heuristic method demonstrates the way how to optimize our design. It requires that all possible information about the local environment should be gathered, as the more is known, the fewer mistakes are made. Following the unquestionable principles, we can

  8. Structural significance of mechanical damage.

    Science.gov (United States)

    2012-05-01

    The letter transmits the Final Report for work completed under US DOT PHMSA Other Transaction Agreement (OTA) DTPH56-08-T-000011, Structural Significance of Mechanical Damage. The project was implemented to develop a detailed experimental database on...

  9. Structural Mechanics and Dynamics Branch

    Science.gov (United States)

    Stefko, George

    2003-01-01

    The 2002 annual report of the Structural Mechanics and Dynamics Branch reflects the majority of the work performed by the branch staff during the 2002 calendar year. Its purpose is to give a brief review of the branch s technical accomplishments. The Structural Mechanics and Dynamics Branch develops innovative computational tools, benchmark experimental data, and solutions to long-term barrier problems in the areas of propulsion aeroelasticity, active and passive damping, engine vibration control, rotor dynamics, magnetic suspension, structural mechanics, probabilistics, smart structures, engine system dynamics, and engine containment. Furthermore, the branch is developing a compact, nonpolluting, bearingless electric machine with electric power supplied by fuel cells for future "more electric" aircraft. An ultra-high-power-density machine that can generate projected power densities of 50 hp/lb or more, in comparison to conventional electric machines, which generate usually 0.2 hp/lb, is under development for application to electric drives for propulsive fans or propellers. In the future, propulsion and power systems will need to be lighter, to operate at higher temperatures, and to be more reliable in order to achieve higher performance and economic viability. The Structural Mechanics and Dynamics Branch is working to achieve these complex, challenging goals.

  10. Statics and Mechanics of Structures

    DEFF Research Database (Denmark)

    Krenk, Steen; Høgsberg, Jan Becker

    The statics and mechanics of structures form a core aspect of civil engineering. This book provides an introduction to the subject, starting from classic hand-calculation types of analysis and gradually advancing to a systematic form suitable for computer implementation. It starts with statically...

  11. New approach of eggshell mechanical properties determinantion

    Directory of Open Access Journals (Sweden)

    Libor Severa

    2010-01-01

    Full Text Available The paper describes a new approach for determination of mechanical properties of hen’s eggshell. The suitability and applicability of a Berkovich indentation is discussed. The eggshells were tested in the area surrounding equator line. The deformation modes active during indentation have been examinined from the shape of load-displacement curves. According to measured dependencies, the eggshel shown an viscous-elastic deformation.The values of Young’s modulus E obtained from radial and tangential directions did not vary significantly. This fact shows on isotropic nature of eggshell structure. It was found that values of E do not significantly change neither around the cir­cum­fe­ren­ce of the equator. The values obtained within this research correspond to values reported in literature and obtained on macroscopic samples. Nanoindentation was found to be a precise and powerful tool, suitable for determining local variations of mechanical properties of eggshells.

  12. Interfacial Fluid Mechanics A Mathematical Modeling Approach

    CERN Document Server

    Ajaev, Vladimir S

    2012-01-01

    Interfacial Fluid Mechanics: A Mathematical Modeling Approach provides an introduction to mathematical models of viscous flow used in rapidly developing fields of microfluidics and microscale heat transfer. The basic physical effects are first introduced in the context of simple configurations and their relative importance in typical microscale applications is discussed. Then,several configurations of importance to microfluidics, most notably thin films/droplets on substrates and confined bubbles, are discussed in detail.  Topics from current research on electrokinetic phenomena, liquid flow near structured solid surfaces, evaporation/condensation, and surfactant phenomena are discussed in the later chapters. This book also:  Discusses mathematical models in the context of actual applications such as electrowetting Includes unique material on fluid flow near structured surfaces and phase change phenomena Shows readers how to solve modeling problems related to microscale multiphase flows Interfacial Fluid Me...

  13. Structural and failure mechanics of sandwich composites

    CERN Document Server

    Carlsson, LA; Carlsson, Leif A

    2011-01-01

    Focusing on important deformation and failure modes of sandwich structures, this volume describes the mechanics behind fracture processes. The text also reviews test methods developed for the cr, structural integrity, and failure mechanisms of sandwich structures.

  14. Statics and Mechanics of Structures

    DEFF Research Database (Denmark)

    Krenk, Steen; Høgsberg, Jan Becker

    determinate structures in the form of trusses, beams and frames. Instability is discussed in the form of the column problem - both the ideal column and the imperfect column used in actual column design. The theory of statically indeterminate structures is then introduced, and the force and deformation methods...... are explained and illustrated. An important aspect of the book’s approach is the systematic development of the theory in a form suitable for computer implementation using finite elements. This development is supported by two small computer programs, MiniTruss and MiniFrame, which permit static analysis...... of trusses and frames, as well as linearized stability analysis. The book’s final section presents related strength of materials subjects in greater detail; these include stress and strain, failure criteria, and normal and shear stresses in general beam flexure and in beam torsion....

  15. Mechanical behaviour of structural ceramics

    Directory of Open Access Journals (Sweden)

    Bueno, S.

    2007-06-01

    Full Text Available The use of ceramic materials in structural applications is limited by the lack of reliability associated with brittle fracture behaviour. In order to extend the structural use of ceramics, the design of microstructures which exhibit flaw tolerance due to toughening mechanisms which produce an increase in crack growth resistance during crack propagation has been proposed. This work is a review of the mechanical behaviour of structural ceramic materials and its characterisation. Firstly, the basic brittle fracture parameters and the statistical criteria to determine the probability of exceeding the safety factors demanded for a particular application are analysed. Then, the toughening mechanisms which can be developed in the materials through microstructural design as well as the mechanical characterisation of toughened ceramics are discussed. The experimental values of linear elastic fracture toughness parameters (critical stress intensity factor, KIC, and critical energy release rate, GIC are not intrinsic properties for toughened materials and depend on crack length and the loading system. In this work, the different mechanical parameters proposed to characterise such materials are reviewed. The following fracture parameters are analysed: work of fracture (γWOF, critical J-integral value (JIC and R-curve. For the determination, stable fracture tests are proposed in order to ensure that the energy provided during the test is no more than the necessary one for crack propagation.

    El uso de los materiales cerámicos en aplicaciones estructurales está limitado por la falta de fiabilidad asociada a su comportamiento frágil durante la fractura. Para extender su aplicación se ha propuesto el diseño de microestructuras que presenten tolerancia a los defectos debido a la actuación de mecanismos de refuerzo. Este trabajo es una puesta al día sobre el estudio del comportamiento mecánico de los materiales cerámicos estructurales y su

  16. A modern approach to quantum mechanics

    CERN Document Server

    Townsend, John S

    2012-01-01

    Using an innovative approach that students find both accessible and exciting, A Modern Approach to Quantum Mechanics, Second Edition lays out the foundations of quantum mechanics through the physics of intrinsic spin. Written to serve as the primary textbook for an upper-division course in quantum mechanics, Townsend's text gives professors and students a refreshing alternative to the old style of teaching, by allowing the basic physics of spin systems to drive the introduction of concepts such as Dirac notation, operators, eigenstates and eigenvalues, time evolution in quantum mechanics, and entanglement. Chapters 6 through 10 cover the more traditional subjects in wave mechanics-the Schrodinger equation in position space, the harmonic oscillator, orbital angular momentum, and central potentials-but they are motivated by the foundations developed in the earlier chapters. Students using this text will perceive wave mechanics as an important aspect of quantum mechanics, but not necessarily the core of the subj...

  17. Applying Aspects of the Expert Performance Approach to Better Understand the Structure of Skill and Mechanisms of Skill Acquisition in Video Games.

    Science.gov (United States)

    Boot, Walter R; Sumner, Anna; Towne, Tyler J; Rodriguez, Paola; Anders Ericsson, K

    2017-04-01

    Video games are ideal platforms for the study of skill acquisition for a variety of reasons. However, our understanding of the development of skill and the cognitive representations that support skilled performance can be limited by a focus on game scores. We present an alternative approach to the study of skill acquisition in video games based on the tools of the Expert Performance Approach. Our investigation was motivated by a detailed analysis of the behaviors responsible for the superior performance of one of the highest scoring players of the video game Space Fortress (Towne, Boot, & Ericsson, ). This analysis revealed how certain behaviors contributed to his exceptional performance. In this study, we recruited a participant for a similar training regimen, but we collected concurrent and retrospective verbal protocol data throughout training. Protocol analysis revealed insights into strategies, errors, mental representations, and shifting game priorities. We argue that these insights into the developing representations that guided skilled performance could only easily have been derived from the tools of the Expert Performance Approach. We propose that the described approach could be applied to understand performance and skill acquisition in many different video games (and other short- to medium-term skill acquisition paradigms) and help reveal mechanisms of transfer from gameplay to other measures of laboratory and real-world performance. Copyright © 2016 Cognitive Science Society, Inc.

  18. Tailoring a bidirectional negative stiffness (BNS) structure with mechanical diodes for mechanical metamaterial structures

    Science.gov (United States)

    Yoon, Gil Ho; Mo, Jun Su

    2017-05-01

    A new structure with a bidirectional negative stiffness (BNS) value utilizing buckling phenomena (often called bi-stable or snap-through) and a mechanical diode are presented with regard to mechanical metamaterial applications. The need for cost and mass efficient vibration isolation parts within the modern aerospace, automotive, and civil industries has been the subject of many interesting studies in the last several decades. With conventional materials in nature, many innovative approaches have been proposed, but with some limitations for vibration suppression. To cope with these difficulties, it was possible to employ a man-made material with a negative density or negative stiffness, not existing in nature. Recently metamaterials, i.e., man-made repeating structures with negative densities or/and stiffness values, have been proposed and their applications have been reported. This research presents a new man-made structure with a BNS, using the help of bi-stable mechanisms and a mechanical diode. With regard to the metamaterial application of this phenomenon, the dispersion nature of a 1D bi-stable mechanism has been studied and a new novel structure having BNS with a mechanical diode is presented. The effects of states of snap-through were highlighted and quantified experimentally.

  19. Introduction to solid mechanics an integrated approach

    CERN Document Server

    Lubliner, Jacob

    2017-01-01

    This expanded second edition presents in one text the concepts and processes covered in statics and mechanics of materials curricula following a systematic, topically integrated approach. Building on the novel pedagogy of fusing concepts covered in traditional undergraduate courses in rigid-body statics and deformable body mechanics, rather than simply grafting them together, this new edition develops further the authors’ very original treatment of solid mechanics with additional figures, an elaboration on selected solved problems, and additional text as well as a new subsection on viscoelasticity in response to students’ feedback. Introduction to Solid Mechanics: An Integrated Approach, Second Edition, offers a holistic treatment of the depth and breadth of solid mechanics and the inter-relationships of its underlying concepts. Proceeding from first principles to applications, the book stands as a whole greater than the sum of its parts.  .

  20. Mechanical Model Development for Composite Structural Supercapacitors

    Science.gov (United States)

    Ricks, Trenton M.; Lacy, Thomas E., Jr.; Santiago, Diana; Bednarcyk, Brett A.

    2016-01-01

    Novel composite structural supercapacitor concepts have recently been developed as a means both to store electrical charge and to provide modest mechanical load carrying capability. Double-layer composite supercapacitors are often fabricated by impregnating a woven carbon fiber fabric, which serves as the electrodes, with a structural polymer electrolyte. Polypropylene or a glass fabric is often used as the separator material. Recent research has been primarily limited to evaluating these composites experimentally. In this study, mechanical models based on the Multiscale Generalized Method of Cells (MSGMC) were developed and used to calculate the shear and tensile properties and response of two composite structural supercapacitors from the literature. The modeling approach was first validated against traditional composite laminate data. MSGMC models for composite supercapacitors were developed, and accurate elastic shear/tensile properties were obtained. It is envisioned that further development of the models presented in this work will facilitate the design of composite components for aerospace and automotive applications and can be used to screen candidate constituent materials for inclusion in future composite structural supercapacitor concepts.

  1. Introduction to solid mechanics an integrated approach

    CERN Document Server

    Lubliner, Jacob

    2014-01-01

    This textbook presents for the first time in one text the concepts and processes covered in statics and mechanics of materials curricula following a systematic, topically integrated approach. Since the turn of the millennium, it has become common in engineering schools to combine the traditional undergraduate offerings in rigid-body statics (usually called “statics”) and deformable body mechanics (known traditionally as “strength of materials” or, more recently, “mechanics of materials”) into a single, introductory course in solid mechanics. Many textbooks for the new course sequentially meld pieces of existing, discrete books—sometimes, but not always, acknowledging the origin—into two halves covering Statics and Mechanics of Materials. In this volume, Professors Lubliner and Papadopoulos methodically combine the essentials of statics and mechanics of materials, illustrating the relationship of concepts throughout, into one "integrated" text. This book also: ·         Offers thorough...

  2. Quantum mechanics new approaches to selected topics

    CERN Document Server

    Lipkin, Harry Jeannot

    1973-01-01

    Acclaimed as ""excellent"" (Nature) and ""very original and refreshing"" (Physics Today), this collection of self-contained studies is geared toward advanced undergraduates and graduate students. Its broad selection of topics includes the Mössbauer effect, many-body quantum mechanics, scattering theory, Feynman diagrams, and relativistic quantum mechanics.Author Harry J. Lipkin, a well-known teacher at Israel's Weizmann Institute, takes an unusual approach by introducing many interesting physical problems and mathematical techniques at a much earlier point than in conventional texts. This meth

  3. Alternative perturbation approaches in classical mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Amore, Paolo [Facultad de Ciencias, Universidad de Colima, Bernal DIaz del Castillo 340, Colima, Colima (Mexico); Raya, Alfredo [Facultad de Ciencias, Universidad de Colima, Bernal DIaz del Castillo 340, Colima, Colima (Mexico); Fernandez, Francisco M [INIFTA (Conicet, UNLP), Blvd. 113 y 64 S/N, Sucursal 4, Casilla de Correo 16, 1900 La Plata (Argentina)

    2005-11-01

    We discuss two alternative methods, based on the Lindstedt-Poincare technique, for the removal of secular terms from the equations of perturbation theory. We calculate the period of an anharmonic oscillator by means of both approaches and show that one of them is more accurate for all values of the coupling constant. We believe that present discussion and comparison may be a suitable exercise for teaching perturbation theory in advanced undergraduate courses on classical mechanics.

  4. Understanding molecular structure from molecular mechanics.

    Science.gov (United States)

    Allinger, Norman L

    2011-04-01

    Molecular mechanics gives us a well known model of molecular structure. It is less widely recognized that valence bond theory gives us structures which offer a direct interpretation of molecular mechanics formulations and parameters. The electronic effects well-known in physical organic chemistry can be directly interpreted in terms of valence bond structures, and hence quantitatively calculated and understood. The basic theory is outlined in this paper, and examples of the effects, and their interpretation in illustrative examples is presented.

  5. Superconformal Algebraic Approach to Hadron Structure

    Energy Technology Data Exchange (ETDEWEB)

    de Teramond, Guy F. [Univ. of Costa Rica, San Pedro (Costa Rica); Brodsky, Stanley J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Deur, Alexandre [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Dosch, Hans Gunter [Heidelberg Univ. (Germany). Inst. for Theoretische Physik; Sufian, Raza Sabbir [Univ. of Kentucky, Lexington, KY (United States)

    2017-03-01

    Fundamental aspects of nonperturbative QCD dynamics which are not obvious from its classical Lagrangian, such as the emergence of a mass scale and confinement, the existence of a zero mass bound state, the appearance of universal Regge trajectories and the breaking of chiral symmetry are incorporated from the onset in an effective theory based on superconformal quantum mechanics and its embedding in a higher dimensional gravitational theory. In addition, superconformal quantum mechanics gives remarkable connections between the light meson and nucleon spectra. This new approach to hadron physics is also suitable to describe nonperturbative QCD observables based on structure functions, such as GPDs, which are not amenable to a first-principle computation. The formalism is also successful in the description of form factors, the nonperturbative behavior of the strong coupling and diffractive processes. We also discuss in this article how the framework can be extended rather successfully to the heavy-light hadron sector.

  6. Automatic Fastening Large Structures: a New Approach

    Science.gov (United States)

    Lumley, D. F.

    1985-01-01

    The external tank (ET) intertank structure for the space shuttle, a 27.5 ft diameter 22.5 ft long externally stiffened mechanically fastened skin-stringer-frame structure, was a labor intensitive manual structure built on a modified Saturn tooling position. A new approach was developed based on half-section subassemblies. The heart of this manufacturing approach will be 33 ft high vertical automatic riveting system with a 28 ft rotary positioner coming on-line in mid 1985. The Automatic Riveting System incorporates many of the latest automatic riveting technologies. Key features include: vertical columns with two sets of independently operating CNC drill-riveting heads; capability of drill, insert and upset any one piece fastener up to 3/8 inch diameter including slugs without displacing the workpiece offset bucking ram with programmable rotation and deep retraction; vision system for automatic parts program re-synchronization and part edge margin control; and an automatic rivet selection/handling system.

  7. Thermodynamics and statistical mechanics an integrated approach

    CERN Document Server

    Hardy, Robert J

    2014-01-01

    This textbook brings together the fundamentals of the macroscopic and microscopic aspects of thermal physics by presenting thermodynamics and statistical mechanics as complementary theories based on small numbers of postulates. The book is designed to give the instructor flexibility in structuring courses for advanced undergraduates and/or beginning graduate students and is written on the principle that a good text should also be a good reference. The presentation of thermodynamics follows the logic of Clausius and Kelvin while relating the concepts involved to familiar phenomena and the mod

  8. Regional Mechanics Determine Collagen Fiber Structure in Healing Myocardial Infarcts

    Science.gov (United States)

    Fomovsky, Gregory M.; Rouillard, Andrew D.; Holmes, Jeffrey W.

    2012-01-01

    Following myocardial infarction, the mechanical properties of the healing infarct are an important determinant of heart function and the risk of progression to heart failure. In particular, mechanical anisotropy (having different mechanical properties in different directions) in the healing infarct can preserve pump function of the heart. Based on reports of different collagen structures and mechanical properties in various animal models, we hypothesized that differences in infarct size, shape, and/or location produce different patterns of mechanical stretch that guide evolving collagen fiber structure. We tested the effects of infarct shape and location using a combined experimental and computational approach. We studied mechanics and collagen fiber structure in cryoinfarcts in 53 Sprague-Dawley rats and found that regardless of shape or orientation, cryoinfarcts near the equator of the left ventricle stretched primarily in the circumferential direction and developed circumferentially aligned collagen, while infarcts at the apex stretched similarly in the circumferential and longitudinal direction and developed randomly oriented collagen. In a computational model of infarct healing, an effect of mechanical stretch on fibroblast and collagen alignment was required to reproduce the experimental results. We conclude that mechanical environment determines collagen fiber structure in healing myocardial infarcts. Our results suggest that emerging post-infarction therapies that alter regional mechanics will also alter infarct collagen structure, offering both potential risks and novel therapeutic opportunities. PMID:22418281

  9. Phantom Limb Pain: Mechanisms and Treatment Approaches

    Science.gov (United States)

    Subedi, Bishnu; Grossberg, George T.

    2011-01-01

    The vast amount of research over the past decades has significantly added to our knowledge of phantom limb pain. Multiple factors including site of amputation or presence of preamputation pain have been found to have a positive correlation with the development of phantom limb pain. The paradigms of proposed mechanisms have shifted over the past years from the psychogenic theory to peripheral and central neural changes involving cortical reorganization. More recently, the role of mirror neurons in the brain has been proposed in the generation of phantom pain. A wide variety of treatment approaches have been employed, but mechanism-based specific treatment guidelines are yet to evolve. Phantom limb pain is considered a neuropathic pain, and most treatment recommendations are based on recommendations for neuropathic pain syndromes. Mirror therapy, a relatively recently proposed therapy for phantom limb pain, has mixed results in randomized controlled trials. Most successful treatment outcomes include multidisciplinary measures. This paper attempts to review and summarize recent research relative to the proposed mechanisms of and treatments for phantom limb pain. PMID:22110933

  10. Phantom Limb Pain: Mechanisms and Treatment Approaches

    Directory of Open Access Journals (Sweden)

    Bishnu Subedi

    2011-01-01

    Full Text Available The vast amount of research over the past decades has significantly added to our knowledge of phantom limb pain. Multiple factors including site of amputation or presence of preamputation pain have been found to have a positive correlation with the development of phantom limb pain. The paradigms of proposed mechanisms have shifted over the past years from the psychogenic theory to peripheral and central neural changes involving cortical reorganization. More recently, the role of mirror neurons in the brain has been proposed in the generation of phantom pain. A wide variety of treatment approaches have been employed, but mechanism-based specific treatment guidelines are yet to evolve. Phantom limb pain is considered a neuropathic pain, and most treatment recommendations are based on recommendations for neuropathic pain syndromes. Mirror therapy, a relatively recently proposed therapy for phantom limb pain, has mixed results in randomized controlled trials. Most successful treatment outcomes include multidisciplinary measures. This paper attempts to review and summarize recent research relative to the proposed mechanisms of and treatments for phantom limb pain.

  11. Toward a New Chemotherapy for Breast Cancer: Structural and Functional Mechanism of the Retinoid Receptors Addressed by a Novel Computer Approach

    Science.gov (United States)

    2002-01-01

    Article 3). Little is known about the natural ligands to RXR. Crystallographic data of RXRc bound to agonist 9-cis RA were published recently ( Egea et...breast cancer, Clin. Cancer Res. 4, 635-642. Egea PF, Mitshcler A, Rochel N, Ruff M, Chambon P and Moras D (2000). Crystal structure of the human RXRa

  12. On a Variational Approach to Optimization of Hybrid Mechanical Systems

    Directory of Open Access Journals (Sweden)

    Vadim Azhmyakov

    2010-01-01

    Full Text Available This paper deals with multiobjective optimization techniques for a class of hybrid optimal control problems in mechanical systems. We deal with general nonlinear hybrid control systems described by boundary-value problems associated with hybrid-type Euler-Lagrange or Hamilton equations. The variational structure of the corresponding solutions makes it possible to reduce the original “mechanical” problem to an auxiliary multiobjective programming reformulation. This approach motivates possible applications of theoretical and computational results from multiobjective optimization related to the original dynamical optimization problem. We consider first order optimality conditions for optimal control problems governed by hybrid mechanical systems and also discuss some conceptual algorithms.

  13. A continuum mechanics approach to modeling and simulating engineering materials undergoing phase transformation using the evolving micro-structural model of inelasticity

    Science.gov (United States)

    Adedoyin, Adetokunbo Adelana

    Heat treatment for the purpose of material strengthening is accompanied by residual stresses and distortion. During these processing steps, steel alloys experience a phase change that in turn modify their overall mechanical response. To properly account for the cumulative composite behavior, the mechanical response, transformation kinetics and subsequent interaction of each phase have to be properly accounted for. Of interest to material designers and fabricators is modeling and simulating the evolutionary process a part undergoes for the sake of capturing the observable residual stress states and geometric distortion accumulated after processing. In an attempt to capture the aforementioned physical phenomena, this investigation is premised upon a consistent thermodynamic framework. Following this, the single phase Evolving Microstructural Model of Inelasticity state variable model is extended to accommodate the occurrence of multiphases, affirming that the interaction between coexisting phases is through an interfacial stress. Since the efficacy of a multiphase model is dependent on its ability to capture the behavior of constituents phases and their subsequent interaction, we introduce a physically based self-consistent strain partitioning algorithm. With synthesis of the aforementioned ideas, the additional transformation induced plasticity is numerically accounted for by modifying each phase's flowrule to accommodate an interfacial stress. In addition, for simulating the cohabitation of two phases, the mechanical multiphase model equations is coupled with a previously developed non-diffusional phase transformation kinetics model. A qualitative assessment of the material response based on a Taylor, Sachs and self-consistent polycrystalline approximation is carried out. Further analysis of the multiphase model and its interaction with transformation kinetics is evaluated.

  14. A statistical mechanics approach to Granovetter theory

    CERN Document Server

    Barra, Adriano

    2010-01-01

    In this paper we try to bridge breakthroughs in quantitative sociology/econometrics pioneered during the last decades by Mac Fadden, Brock-Durlauf, Granovetter and Watts-Strogats through introducing a minimal model able to reproduce essentially all the features of social behavior highlighted by these authors. Our model relies on a pairwise Hamiltonian for decision maker interactions which naturally extends the multi-populations approaches by shifting and biasing the pattern definitions of an Hopfield model of neural networks. Once introduced, the model is investigated trough graph theory (to recover Granovetter and Watts-Strogats results) and statistical mechanics (to recover Mac-Fadden and Brock-Durlauf results). Due to internal symmetries of our model, the latter is obtained as the relaxation of a proper Markov process, allowing even to study its out of equilibrium properties. The method used to solve its equilibrium is an adaptation of the Hamilton-Jacobi technique recently introduced by Guerra in the spin...

  15. Frictional granular mechanics: A variational approach

    Energy Technology Data Exchange (ETDEWEB)

    Holtzman, R.; Silin, D.B.; Patzek, T.W.

    2009-10-16

    The mechanical properties of a cohesionless granular material are evaluated from grain-scale simulations. Intergranular interactions, including friction and sliding, are modeled by a set of contact rules based on the theories of Hertz, Mindlin, and Deresiewicz. A computer generated, three-dimensional, irregular pack of spherical grains is loaded by incremental displacement of its boundaries. Deformation is described by a sequence of static equilibrium configurations of the pack. A variational approach is employed to find the equilibrium configurations by minimizing the total work against the intergranular loads. Effective elastic moduli are evaluated from the intergranular forces and the deformation of the pack. Good agreement between the computed and measured moduli, achieved with no adjustment of material parameters, establishes the physical soundness of the proposed model.

  16. Space Shuttle Orbiter Structures and Mechanisms

    Science.gov (United States)

    Gilmore, Adam L.; Estes, Lynda R.; Eilers, James A.; Logan, Jeffrey S.; Evernden, Brent A.; Decker, William S.; Hagen, Jeffrey D.; Davis, Robert E.; Broughton, James K.; Campbell, Carlisle C.; hide

    2011-01-01

    The Space Shuttle Orbiter has performed exceptionally well over its 30 years of flight experience. Among the many factors behind this success were robust, yet carefully monitored, structural and mechanical systems. From highlighting key aspects of the design to illustrating lessons learned from the operation of this complex system, this paper will attempt to educate the reader on why some subsystems operated flawlessly and why specific vulnerabilities were exposed in others. Specific areas to be covered will be the following: high level configuration overview, primary and secondary structure, mechanical systems ranging from landing gear to the docking system, and windows.

  17. Structural Patterns in Students' Conceptions in Mechanics.

    Science.gov (United States)

    Oliva, Jose Ma

    1999-01-01

    Reports the existence of patterns of reasoning that are common to students' conceptions in different areas of mechanics. Finds that the common frameworks between different ideas have a generality level that lies between Piaget's stage theory and the approach of alternative conceptions. Contains 30 references. (Author/WRM)

  18. Structure and multiscale mechanics of carbon nanomaterials

    CERN Document Server

    2016-01-01

    This book aims at providing a broad overview on the relationship between structure and mechanical properties of carbon nanomaterials from world-leading scientists in the field. The main aim is to get an in-depth understanding of the broad range of mechanical properties of carbon materials based on their unique nanostructure and on defects of several types and at different length scales. Besides experimental work mainly based on the use of (in-situ) Raman and X-ray scattering and on nanoindentation, the book also covers some aspects of multiscale modeling of the mechanics of carbon nanomaterials.

  19. Molecular and structural determinants of adamantyl susceptibility to HLA-DRs allelic variants: an in silico approach to understand the mechanism of MLEs

    Science.gov (United States)

    Zaheer-ul-Haq; Khan, Waqasuddin

    2011-01-01

    Class II major histocompatibility complex (MHC II) molecules as expressed by antigen-presenting cells are heterodimeric cell-surface glycoprotein receptors that are fundamental in initiating and propagating an immune response by presenting tumor-associated antigenic peptides to CD4+/TH cells. The loading efficiency of such peptides can be improved by small organic compounds (MHC Loading Enhancers—MLEs), that convert the non-receptive peptide conformation of MHC II to a peptide-receptive conformation. In a reversible reaction, these compounds open up the binding site of MHC II molecules by specific interactions with a yet undefined pocket. Here, we performed molecular docking and molecular dynamics simulation studies of adamantyl compounds on the predicted cavity around the P1 pocket of 2 allelic variants of HLA-DRs. The purpose was to investigate the suitability of adamantyl compounds as MLEs at the dimorphic β86 position. Docking studies revealed that besides numerous molecular interactions formed by the adamantyl compounds, Asnβ82, Tyrβ83, and Thrβ90 are the crucial amino acid residues that are characterized as the "sensors" of peptide loading. Molecular dynamics simulation studies exposed the dynamical structural changes that HLA-DRs adopted as a response to binding of 3-(1-adamantyl)-5-hydrazidocarbonyl-1H-pyrazole (AdCaPy). The conformations of AdCaPy complexed with the Glyβ86 HLA-DR allelic variant are well correlated with the stabilized form of peptide-loaded HLA-DRs, further confirming the role of AdCaPy as a MLE. Hydrogen bonding interaction analysis clearly demonstrated that after making suitable contacts with AdCaPy, HLA-DR changes its local conformation. However, AdCaPy complexed with HLA-DR having Valβ86 at the dimorphic position did not accommodate AdCaPy as MLE due to steric hindrance caused by the valine.

  20. A structural insight into the inhibitory mechanism of an orally active PI3K/mTOR dual inhibitor, PKI-179 using computational approaches.

    Science.gov (United States)

    Rehan, Mohd

    2015-11-01

    The PI3K/AKT/mTOR signaling pathway has been identified as an important target for cancer therapy. Attempts are increasingly made to design the inhibitors against the key proteins of this pathway for anti-cancer therapy. The PI3K/mTOR dual inhibitors have proved more effective than the inhibitors against only single protein targets. Recently discovered PKI-179, an orally effective compound, is one such dual inhibitor targeting both PI3K and mTOR. This anti-cancer compound is efficacious both in vitro and in vivo. However, the binding mechanisms and the molecular interactions of PKI-179 with PI3K and mTOR are not yet available. The current study investigated the exact binding mode and the molecular interactions of PKI-179 with PI3Kγ and mTOR using molecular docking and (un)binding simulation analyses. The study identified PKI-179 interacting residues of both the proteins and their importance in binding was ranked by the loss in accessible surface area, number of molecular interactions of the residue, and consistent appearance of the residue in (un)binding simulation analysis. The key residues involved in binding of PKI-179 were Ala-805 in PI3Kγ and Ile-2163 in mTOR as they have lost maximum accessible surface area due to binding. In addition, the residues which played a role in binding of the drug but were away from the catalytic site were also identified using (un)binding simulation analyses. Finally, comparison of the interacting residues in the respective catalytic sites was done for the difference in the binding of the drug to the two proteins. Thus, the pairs of the residues falling at the similar location with respect to the docked drug were identified. The striking similarity in the interacting residues of the catalytic site explains the concomitant inhibition of both proteins by a number of inhibitors. In conclusion, the docking and (un)binding simulation analyses of dual inhibitor PKI-179 with PI3K and mTOR will provide a suitable multi-target model for

  1. Altered structural and mechanical properties in decellularized rabbit carotid arteries

    Science.gov (United States)

    Williams, C.; Liao, J.; Joyce, E.M.; Wang, B.; Leach, J.B.; Sacks, M.S.; Wong, J.Y.

    2008-01-01

    Recently, major achievements in creating decellularized whole tissue scaffolds have drawn considerable attention to decellularization as a promising approach for tissue engineering. Decellularized tissues are expected to have mechanical strength and structure similar to the native tissues from which they are derived. However, numerous studies have shown that mechanical properties change after decellularization. Often, tissue structure is observed by histology and electron microscopy, but the structural alterations that may have occurred are not always evident. Here, a variety of techniques were used to investigate changes in tissue structure and relate them to altered mechanical behavior in decellularized rabbit carotid arteries. Histology and scanning electrom microscopy revealed that major extracellular matrix components were preserved and fibers appeared intact, although collagen appeared looser and less crimped after decellularization. Transmission electrom microscopy confirmed the presence of proteoglycans (PG), but there was decreased PG density and increased spacing between collagen fibrils. Mechanical testing and opening angle measurements showed that decellularized arteries had significantly increased stiffness, decreased extensibility and decreased residual stress compared with native arteries. Small-angle light scattering revealed that fibers had increased mobility and that structural integrity was compromised in decellularized arteries. Taken together, these studies revealed structural alterations that could be related to changes in mechanical properties. Further studies are warranted to determine the specific effects of different decellularization methods on the structure and performance of decellularized arteries used as vascular grafts. PMID:19135421

  2. Computational Methods for Structural Mechanics and Dynamics

    Science.gov (United States)

    Stroud, W. Jefferson (Editor); Housner, Jerrold M. (Editor); Tanner, John A. (Editor); Hayduk, Robert J. (Editor)

    1989-01-01

    Topics addressed include: transient dynamics; transient finite element method; transient analysis in impact and crash dynamic studies; multibody computer codes; dynamic analysis of space structures; multibody mechanics and manipulators; spatial and coplanar linkage systems; flexible body simulation; multibody dynamics; dynamical systems; and nonlinear characteristics of joints.

  3. Mechanical Properties for Reliability Analysis of Structures in Glassy Carbon

    CERN Document Server

    Garion, Cédric

    2014-01-01

    Despite its good physical properties, the glassy carbon material is not widely used, especially for structural applications. Nevertheless, its transparency to particles and temperature resistance are interesting properties for the applications to vacuum chambers and components in high energy physics. For example, it has been proposed for fast shutter valve in particle accelerator [1] [2]. The mechanical properties have to be carefully determined to assess the reliability of structures in such a material. In this paper, mechanical tests have been carried out to determine the elastic parameters, the strength and toughness on commercial grades. A statistical approach, based on the Weibull’s distribution, is used to characterize the material both in tension and compression. The results are compared to the literature and the difference of properties for these two loading cases is shown. Based on a Finite Element analysis, a statistical approach is applied to define the reliability of a structural component in gl...

  4. A novel numerical approach for workspace determination of parallel mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yiqun; Niu, Junchuan; Liu, Zhihui; Zhang, Fuliang [Shandong University, Shandong (China)

    2017-06-15

    In this paper, a novel numerical approach is proposed for workspace determination of parallel mechanisms. Compared with the classical numerical approaches, this presented approach discretizes both location and orientation of the mechanism simultaneously, not only one of the two. This technique makes the presented numerical approach applicable in determining almost all types of workspaces, while traditional numerical approaches are only applicable in determining the constant orientation workspace and orientation workspace. The presented approach and its steps to determine the inclusive orientation workspace and total orientation workspace are described in detail. A lower-mobility parallel mechanism and a six-degrees-of-freedom Stewart platform are set as examples, the workspaces of these mechanisms are estimated and visualized by the proposed numerical approach. Furthermore, the efficiency of the presented approach is discussed. The examples show that the presented approach is applicable in determining the inclusive orientation workspace and total orientation workspace of parallel mechanisms with high efficiency.

  5. A statistical mechanics approach to Granovetter theory

    Science.gov (United States)

    Barra, Adriano; Agliari, Elena

    2012-05-01

    In this paper we try to bridge breakthroughs in quantitative sociology/econometrics, pioneered during the last decades by Mac Fadden, Brock-Durlauf, Granovetter and Watts-Strogatz, by introducing a minimal model able to reproduce essentially all the features of social behavior highlighted by these authors. Our model relies on a pairwise Hamiltonian for decision-maker interactions which naturally extends the multi-populations approaches by shifting and biasing the pattern definitions of a Hopfield model of neural networks. Once introduced, the model is investigated through graph theory (to recover Granovetter and Watts-Strogatz results) and statistical mechanics (to recover Mac-Fadden and Brock-Durlauf results). Due to the internal symmetries of our model, the latter is obtained as the relaxation of a proper Markov process, allowing even to study its out-of-equilibrium properties. The method used to solve its equilibrium is an adaptation of the Hamilton-Jacobi technique recently introduced by Guerra in the spin-glass scenario and the picture obtained is the following: shifting the patterns from [-1,+1]→[0.+1] implies that the larger the amount of similarities among decision makers, the stronger their relative influence, and this is enough to explain both the different role of strong and weak ties in the social network as well as its small-world properties. As a result, imitative interaction strengths seem essentially a robust request (enough to break the gauge symmetry in the couplings), furthermore, this naturally leads to a discrete choice modelization when dealing with the external influences and to imitative behavior à la Curie-Weiss as the one introduced by Brock and Durlauf.

  6. Structural and Mechanical Mechanisms of Ocular Tissues Probed by AFM

    Science.gov (United States)

    Ziebarth, Noël M.; Rico, Felix; Moy, Vincent T.

    In recent years, the atomic force microscope (AFM) has become an important tool in ophthalmic research. It has gained popularity largely because AFM is not restricted by the diffraction limits of light microscopy and can be applied to resolve images with molecular resolution. AFM is a minimally invasive technique and can be used to visualize molecular structures under near-physiological conditions. In addition, the AFM can be employed as a force apparatus to characterize the viscoelastic properties of biomaterials on the micron level and at the level of individual proteins. In this article, we summarize recent AFM studies of ocular tissues, while highlighting the great potential of AFM technology in ophthalmic research. Previous research demonstrates the versatility of the AFM as high resolution imaging technique and as a sensitive force apparatus for probing the mechanical properties of ocular tissues. The structural and mechanical properties of ocular tissues are of major importance to the understanding of the optomechanical functions of the human eye. In addition, AFM has played an important role in the development and characterization of ocular biomaterials, such as contact lenses and intraocular lenses. Studying ocular tissues using Atomic Force Microscopy has enabled several advances in ophthalmic research.

  7. Structural mechanisms of nonplanar hemes in proteins

    Energy Technology Data Exchange (ETDEWEB)

    Shelnutt, J.A.

    1997-05-01

    The objective is to assess the occurrence of nonplanar distortions of hemes and other tetrapyrroles in proteins and to determine the biological function of these distortions. Recently, these distortions were found by us to be conserved among proteins belonging to a functional class. Conservation of the conformation of the heme indicates a possible functional role. Researchers have suggested possible mechanisms by which heme distortions might influence biological properties; however, no heme distortion has yet been shown conclusively to participate in a structural mechanism of hemoprotein function. The specific aims of the proposed work are: (1) to characterize and quantify the distortions of the hemes in all of the more than 300 hemoprotein X-ray crystal structures in terms of displacements along the lowest-frequency normal coordinates, (2) to determine the structural features of the protein component that generate and control these nonplanar distortions by using spectroscopic studies and molecular-mechanics calculations for the native proteins, their mutants and heme-peptide fragments, and model porphyrins, (3) to determine spectroscopic markers for the various types of distortion, and, finally, (4) to discover the functional significance of the nonplanar distortions by correlating function with porphyrin conformation for proteins and model porphyrins.

  8. Structural insights into the translational infidelity mechanism

    Science.gov (United States)

    Rozov, Alexey; Demeshkina, Natalia; Westhof, Eric; Yusupov, Marat; Yusupova, Gulnara

    2015-06-01

    The decoding of mRNA on the ribosome is the least accurate process during genetic information transfer. Here we propose a unified decoding mechanism based on 11 high-resolution X-ray structures of the 70S ribosome that explains the occurrence of missense errors during translation. We determined ribosome structures in rare states where incorrect tRNAs were incorporated into the peptidyl-tRNA-binding site. These structures show that in the codon-anticodon duplex, a G.U mismatch adopts the Watson-Crick geometry, indicating a shift in the tautomeric equilibrium or ionization of the nucleobase. Additional structures with mismatches in the 70S decoding centre show that the binding of any tRNA induces identical rearrangements in the centre, which favours either isosteric or close to the Watson-Crick geometry codon-anticodon pairs. Overall, the results suggest that a mismatch escapes discrimination by preserving the shape of a Watson-Crick pair and indicate that geometric selection via tautomerism or ionization dominates the translational infidelity mechanism.

  9. Structure and mechanics of aegagropilae fiber network.

    Science.gov (United States)

    Verhille, Gautier; Moulinet, Sébastien; Vandenberghe, Nicolas; Adda-Bedia, Mokhtar; Le Gal, Patrice

    2017-05-02

    Fiber networks encompass a wide range of natural and manmade materials. The threads or filaments from which they are formed span a wide range of length scales: from nanometers, as in biological tissues and bundles of carbon nanotubes, to millimeters, as in paper and insulation materials. The mechanical and thermal behavior of these complex structures depends on both the individual response of the constituent fibers and the density and degree of entanglement of the network. A question of paramount importance is how to control the formation of a given fiber network to optimize a desired function. The study of fiber clustering of natural flocs could be useful for improving fabrication processes, such as in the paper and textile industries. Here, we use the example of aegagropilae that are the remains of a seagrass (Posidonia oceanica) found on Mediterranean beaches. First, we characterize different aspects of their structure and mechanical response, and second, we draw conclusions on their formation process. We show that these natural aggregates are formed in open sea by random aggregation and compaction of fibers held together by friction forces. Although formed in a natural environment, thus under relatively unconstrained conditions, the geometrical and mechanical properties of the resulting fiber aggregates are quite robust. This study opens perspectives for manufacturing complex fiber network materials.

  10. Soft Time-Suboptimal Controlling Structure for Mechanical Systems

    DEFF Research Database (Denmark)

    Kulczycki, Piotr; Wisniewski, Rafal; Kowalski, Piotr

    2004-01-01

    The paper presents conception of a soft control structure based on the time-optimal approach. Its parameters are selected in accordance with the rules of the statistical decision theory and additionally it allows to eliminate rapid changes in control values. The object is a basic mechanical system......, with uncertain (also non-stationary) mass treated as a stochastic process. The methodology proposed here is of a universal nature and may easily be applied with respect to other uncertainty elements of timeoptimal controlled mechanical systems....

  11. Letting Structure Emerge: Connectionist and Dynamical Systems Approaches to Cognition

    Science.gov (United States)

    McClelland, James L.; Botvinick, Matthew M.; Noelle, David C.; Plaut, David C.; Rogers, Timothy T.; Seidenberg, Mark S.; Smith, Linda B.

    2011-01-01

    Connectionist and dynamical systems approaches explain human thought, language and behavior in terms of the emergent consequences of a large number of simple non-cognitive processes. We view the entities that serve as the basis for structured probabilistic approaches as sometimes useful but often misleading abstractions that have no real basis in the actual processes that give rise to linguistic and cognitive abilities or the development of these abilities. While structured probabilistic approaches can be useful in determining what would be optimal under certain assumptions, we suggest that approaches such as the connectionist and dynamical systems approaches, which focus on explaining the mechanisms giving rise to cognition, will be essential in achieving a full understanding of cognition and development. PMID:20598626

  12. A Structured Approach to Sediment Transport Prediction

    Science.gov (United States)

    Wilcock, Peter

    2013-04-01

    There are two types of sediment transport problem. One, flow competence, concerns the conditions that initiate motion of grains on the bed surface. The other, transport capacity, concerns the rate at which sediment is transported and involves sediment found locally on the bed as well as sediment delivered from upstream. The two problems can be linked by the critical stress for incipient motion. A model for critical stress is used directly to predict flow competence. The Ashida/Parker similarity hypothesis provides a useful approximation of transport rates and incorporates local sediment effects entirely via the reference stress, a surrogate for critical stress. Although critical stress is key to both predictions, its application is quite different. The difficult problem of wash load - sizes found in transport in quantities much larger than would be predicted by their presence in the bed - makes the distinction clear and challenges any attempt to predict transport rate from a competence-like approach based on hydraulics and bed material alone. The Shields Diagram and a hiding function provide models for critical stress for uni-size and mixed-size sediment. In addition to grain size - both absolute and relative - other factors alter the critical stress of bed material. These include the proportion of fine-grained material, the aging or freshening of bed material via biologically mediated processes, and the development of bed structure at flows close to the critical stress. Although these factors directly influence the prediction of competent flows, their effect on transport rate is less clear. As flow increases, to what extent does bed strengthening through structuring and other mechanisms persist in dampening transport rate? The answer involves the condition of partial transport in which some grains in a size fraction are active and others remain inactive. Tracing of grains in the flume and field provide guidance on the domain of partial transport and thus on the

  13. Structure and mechanical behavior of human hair.

    Science.gov (United States)

    Yu, Yang; Yang, Wen; Wang, Bin; Meyers, Marc André

    2017-04-01

    The understanding of the mechanical behavior of hair under various conditions broadens our knowledge in biological materials science and contributes to the cosmetic industry. The hierarchical organization of hair is studied from the intermediate filament to the structural levels. The effects of strain rate, relative humidity, and temperature are evaluated. Hair exhibits a high tensile strength, 150-270MPa, which is significantly dependent on strain rate and humidity. The strain-rate sensitivity, approximately 0.06-0.1, is comparable to that of other keratinous materials and common synthetic polymers. The structures of the internal cortex and surface cuticle are affected by the large tensile extension. One distinguishing feature, the unwinding of the α-helix and the possible transformation to β-sheet structure of keratin under tension, which affects the ductility of hair, is analytically evaluated and incorporated into a constitutive equation. A good agreement with the experimental results is obtained. This model elucidates the tensile response of the α-keratin fibers. The contributions of elastic and plastic strains on reloading are evaluated and correlated to structural changes. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. A time-dependent quantum mechanical approach

    Indian Academy of Sciences (India)

    Abstract. Time-dependent Schrödinger equation (TDSE) is solved numerically to calculate the ground- and first three excited-state energies, expectation values x2 j , j 1,2,...,6, and probability densities of quantum mechanical multiple-well oscillators. An imaginary-time evolution technique, coupled with the minimization of ...

  15. An ergonomics approach to citrus harvest mechanization.

    Science.gov (United States)

    Costa, Simone Emmanuelle Alves; Camarotto, João Alberto

    2012-01-01

    Due to the increase of production costs in manual harvesting, strategies must be developed in order to overcome these effects, such as the attempts in implementing agricultural machines in harvest activities, whether being totally or partially mechanized. This study brings a qualitative and quantitative comparison on the impacts in work conditions and productivity in Brazilian orchards caused by the use of semi-mechanized harvesting systems, such as multiplatforms. The results come from the application of Ergonomic Work Analysis method, which focuses in the activity, quantifying and analyzing times and frequencies of the harvesting cycle, as well as the amount of movements. To achieve this, footage, interviews and a stopwatch were used in the observation 12 pickers' work cycles, six for each method of harvesting. The data interpretation pointed to improvement in working conditions with a reduction in the amount of movements performed by the picker, and increase of up to 60% in productivity with the use of semi-mechanized harvesting. Thus, the found results indicate the viability of this harvesting method. However, other variables must be observed in future studies in order to complete the guidelines for a healthy progress in the area of citrus harvesting in Brazil.

  16. A Methodical Approach on Conceptual Structural Design

    NARCIS (Netherlands)

    Horikx, M.P.

    2017-01-01

    The subject of this academic research thesis is a methodical approach on the complex problem-solving process of structural conceptual design.
    For this relatively unexplored problem, an exploratory research is conducted by systematically zooming in from the whole to the part and from coarse to

  17. Structured synthesis of MEMS using evolutionary approaches

    DEFF Research Database (Denmark)

    Fan, Zhun; Wang, Jiachuan; Achiche, Sofiane

    2008-01-01

    In this paper, we discuss the hierarchy that is involved in a typical MEMS design and how evolutionary approaches can be used to automate the hierarchical synthesis process for MEMS. The paper first introduces the flow of a structured MEMS design process and emphasizes that system-level lumped-pa...

  18. Mechanical paint removal techniques for aircraft structures

    Science.gov (United States)

    Amro, Joe P.; Talia, Jorge E.

    1990-05-01

    Paint removal by mechanical means, i.e., blasting, from aluminum structural aeronautical materials (2024-T3) was examined alone with the changes on the surface morphology introduced by the paint removal process. Three types of plastic particles were used in this research: Polyextra, Polyplus, and Type III. Scanning electron microscopy has shown that a potentially damaging surface morphology is formed on the surface of the structural material. Multiple microcracks or fissures generated by the stripping could reduce the life and/or change the engineering properties of the material. It was also found that aluminum material stripped using plastic media particles has a very rough surface that may affect the aerodynamic flow of an airplane. The number of microcracks and degree of surface roughness vary with the particle impact angle and velocity. To minimize or eliminate the damage done to the surface during the plastic particle stripping, it was necessary to change the blasting media to softer and smaller particles. Commercial wheat flour was selected for this purpose. With the substitution of these natural particles, the scanning electron microscopy observations of the stripped surface revealed no potential damage (microcracks or fissures) on the structural material, and the surface roughness was also reduced.

  19. CONCEPTUAL APPROACHES TO FORMING MECHANISM OF INVESTMENT SAFETY REALIZATION

    Directory of Open Access Journals (Sweden)

    Vladimir Talover

    2016-11-01

    Full Text Available The purpose of the paper is theoretical justification of theoretical approaches while developing the mechanism of the state investment safety. The tasks of the system of the national economy investment safety are the following: developing investment potential, creating favourable investment climate, forming mechanisms of stable investment activity in the key branches of economy. At the same time, it should also be noted that the complex approach that would allow sufficiently justifying and practically solve the problems of defining indicators, factors of the investment policy and directions of its assurance in realization of the mechanism of investment policy is not sufficiently developed nowadays. This fact determines research topicality. The issue of assuring investment safety is of a special importance in Ukraine that has to assure market economy development, to overcome deformations in the economy structure, to renew products and production apparatus in the industry, to master new kinds of activities. Methodology. The survey is based on the generalization and development of views of the scientific-economic schools, uses approaches of the international agencies and recommendation and normative materials of Ukraine concerning realization of the state investment policy as a totality of interrelated levels and subsystems that allows establishing main functions of the investment safety system. Results of the survey shows that the mechanism of investment safety includes some kinds, forms and methods of organizing investment relations and investment activity, ways of their quantitative determination and establishing interdependence. The concept of investment policy is based on the complex approach and includes the blocks which are locally structured in such way that they allow forming adequate system of its indicators and conducting monitoring of their changes under the influence of the determined factors. The peculiarities and elements of

  20. A microstructural approach to cytoskeletal mechanics based on tensegrity

    Science.gov (United States)

    Stamenovic, D.; Fredberg, J. J.; Wang, N.; Butler, J. P.; Ingber, D. E.

    1996-01-01

    Mechanical properties of living cells are commonly described in terms of the laws of continuum mechanics. The purpose of this report is to consider the implications of an alternative approach that emphasizes the discrete nature of stress bearing elements in the cell and is based on the known structural properties of the cytoskeleton. We have noted previously that tensegrity architecture seems to capture essential qualitative features of cytoskeletal shape distortion in adherent cells (Ingber, 1993a; Wang et al., 1993). Here we extend those qualitative notions into a formal microstructural analysis. On the basis of that analysis we attempt to identify unifying principles that might underlie the shape stability of the cytoskeleton. For simplicity, we focus on a tensegrity structure containing six rigid struts interconnected by 24 linearly elastic cables. Cables carry initial tension ("prestress") counterbalanced by compression of struts. Two cases of interconnectedness between cables and struts are considered: one where they are connected by pin-joints, and the other where the cables run through frictionless loops at the junctions. At the molecular level, the pinned structure may represent the case in which different cytoskeletal filaments are cross-linked whereas the looped structure represents the case where they are free to slip past one another. The system is then subjected to uniaxial stretching. Using the principal of virtual work, stretching force vs. extension and structural stiffness vs. stretching force relationships are calculated for different prestresses. The stiffness is found to increase with increasing prestress and, at a given prestress, to increase approximately linearly with increasing stretching force. This behavior is consistent with observations in living endothelial cells exposed to shear stresses (Wang & Ingber, 1994). At a given prestress, the pinned structure is found to be stiffer than the looped one, a result consistent with data on

  1. Bayesian approach to inverse statistical mechanics

    Science.gov (United States)

    Habeck, Michael

    2014-05-01

    Inverse statistical mechanics aims to determine particle interactions from ensemble properties. This article looks at this inverse problem from a Bayesian perspective and discusses several statistical estimators to solve it. In addition, a sequential Monte Carlo algorithm is proposed that draws the interaction parameters from their posterior probability distribution. The posterior probability involves an intractable partition function that is estimated along with the interactions. The method is illustrated for inverse problems of varying complexity, including the estimation of a temperature, the inverse Ising problem, maximum entropy fitting, and the reconstruction of molecular interaction potentials.

  2. TRANSFER PRICES: MECHANISMS, METHODS AND INTERNATIONAL APPROACHES

    Directory of Open Access Journals (Sweden)

    Pop Cosmina

    2008-05-01

    Full Text Available Transfer prices are considered the prices paid for the goods or services in a cross-border transaction between affiliates companies, often significant reduced or increased in order to avoid the higher imposing rates from one jurisdiction. Presently, over 60% of cross-border transfers are represented by intra-group transfers. The paper presents the variety of methods and mechanisms used by the companies to transfer the funds from one tax jurisdiction to another in order to avoid over taxation.

  3. From Microactions to Macrostructure and Back : A Structurational Approach to the Evolution of Organizational Networks

    NARCIS (Netherlands)

    Whitbred, Robert; Fonti, Fabio; Steglich, Christian; Contractor, Noshir

    Structuration theory (ST) and network analysis are promising approaches for studying the emergence of communication networks. We offer a model that integrates the conceptual richness of structuration with the precision of relevant concepts and mechanisms offered from communication network research.

  4. Inflammatory mechanisms in ischemic stroke: therapeutic approaches

    Directory of Open Access Journals (Sweden)

    Kirchgessner Annette

    2009-11-01

    Full Text Available Abstract Acute ischemic stroke is the third leading cause of death in industrialized countries and the most frequent cause of permanent disability in adults worldwide. Despite advances in the understanding of the pathophysiology of cerebral ischemia, therapeutic options remain limited. Only recombinant tissue-plasminogen activator (rt-PA for thrombolysis is currently approved for use in the treatment of this devastating disease. However, its use is limited by its short therapeutic window (three hours, complications derived essentially from the risk of hemorrhage, and the potential damage from reperfusion/ischemic injury. Two important pathophysiological mechanisms involved during ischemic stroke are oxidative stress and inflammation. Brain tissue is not well equipped with antioxidant defenses, so reactive oxygen species and other free radicals/oxidants, released by inflammatory cells, threaten tissue viability in the vicinity of the ischemic core. This review will discuss the molecular aspects of oxidative stress and inflammation in ischemic stroke and potential therapeutic strategies that target neuroinflammation and the innate immune system. Currently, little is known about endogenous counterregulatory immune mechanisms. However, recent studies showing that regulatory T cells are major cerebroprotective immunomodulators after stroke suggest that targeting the endogenous adaptive immune response may offer novel promising neuroprotectant therapies.

  5. AHTR Mechanical, Structural, And Neutronic Preconceptual Design

    Energy Technology Data Exchange (ETDEWEB)

    Varma, Venugopal Koikal [ORNL; Holcomb, David Eugene [ORNL; Peretz, Fred J [ORNL; Bradley, Eric Craig [ORNL; Ilas, Dan [ORNL; Qualls, A L [ORNL; Zaharia, Nathaniel M [ORNL

    2012-10-01

    This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming a commercial reactor class. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month 2-batch cycle with 9 weight-percent enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The present design intent is for used fuel to be stored inside of containment for at least 6 months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design concept incorporates multiple levels of radioactive material containment including fully passive responses to all identified design basis or non-very-low frequency beyond design basis accidents. Key building design elements include: 1) below grade siting to minimize vulnerability to aircraft impact, 2) multiple natural circulation decay heat rejection chimneys, 3) seismic

  6. AHTR Mechanical, Structural, and Neutronic Preconceptual Design

    Energy Technology Data Exchange (ETDEWEB)

    Varma, V.K.; Holcomb, D.E.; Peretz, F.J.; Bradley, E.C.; Ilas, D.; Qualls, A.L.; Zaharia, N.M.

    2012-09-15

    This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming an option for commercial reactor deployment. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The reactor concept development remains at a preconceptual level of maturity. While the overall appearance of an AHTR design is anticipated to be similar to the current concept, optimized dimensions will differ from those presented here. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month two-batch cycle with 9 wt. % enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The report includes a preconceptual design of the manipulators, the fuel transfer system, and the used fuel storage system. The present design intent is for used fuel to be stored inside of containment for at least six months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design

  7. Skinner-Rusk approach to time-dependent mechanics

    NARCIS (Netherlands)

    Cortés, Jorge; Martínez, Sonia; Cantrijn, Frans

    2002-01-01

    The geometric approach to autonomous classical mechanical systems in terms of a canonical first-order system on the Whitney sum of the tangent and cotangent bundle, developed by Skinner and Rusk, is extended to the time-dependent framework.

  8. Eukaryotic and Prokaryotic Cytoskeletons: Structure and Mechanics

    Science.gov (United States)

    Gopinathan, Ajay

    2013-03-01

    The eukaryotic cytoskeleton is an assembly of filamentous proteins and a host of associated proteins that collectively serve functional needs ranging from spatial organization and transport to the production and transmission of forces. These systems can exhibit a wide variety of non-equilibrium, self-assembled phases depending on context and function. While much recent progress has been made in understanding the self-organization, rheology and nonlinear mechanical properties of such active systems, in this talk, we will concentrate on some emerging aspects of cytoskeletal physics that are promising. One such aspect is the influence of cytoskeletal network topology and its dynamics on both active and passive intracellular transport. Another aspect we will highlight is the interplay between chirality of filaments, their elasticity and their interactions with the membrane that can lead to novel conformational states with functional implications. Finally we will consider homologs of cytoskeletal proteins in bacteria, which are involved in templating cell growth, segregating genetic material and force production, which we will discuss with particular reference to contractile forces during cell division. These prokaryotic structures function in remarkably similar yet fascinatingly different ways from their eukaryotic counterparts and can enrich our understanding of cytoskeletal functioning as a whole.

  9. Systems Approach to Farm Mechanization in Nigeria | Anazodo ...

    African Journals Online (AJOL)

    Various impediments that usually frustrate mechanization schemes in traditional tropical agriculture are briefly discussed. Some fundamental questions are then raised which the author argues can best be studied by a multidisciplinary team using the systems approach in evaluating the appropriate levels of mechanization ...

  10. An additive manufacturing oriented design approach to mechanical assemblies

    Directory of Open Access Journals (Sweden)

    Germain Sossou

    2018-01-01

    Full Text Available Firstly introduced as a prototyping process, additive manufacturing (AM is being more and more considered as a fully-edged manufacturing process. The number of AM processes, along with the range of processed materials are expanding. AM has made manufacturable shapes that were too difficult (or even impossible to manufacture with conventional technologies. This has promoted a shift in engineering design, from conventional design for manufacturing and assembly to design for additive manufacturing (DFAM. Research efforts into the DFAM field have been mostly dedicated to part’s design, which is actually a requirement for a better industrial adoption. This has given rise to topologically optimized and/or latticed designs. However, since AM is also capable of manufacturing fully functional assemblies requiring a few or no assembly operations, there is a need for DFAM methodologies tackling product’s development more holistically, and which are, therefore, dedicated to assembly design. Considering all the manufacturing issues related to AM of assembly-free mechanisms and available post-processing capabilities, this paper proposes a top-down assembly design methodology for AM in a proactive manner. Such an approach, can be seen as the beginning of a shift from conventional design for assembly (DFA to a new paradigm. From a product’s concept and a selected AM technology, the approach first provides assistance in the definition of the product architecture so that both functionality and successful manufacturing (including post-processing are ensured. Particularly, build-orientation and downstream processes’ characteristics are taken into account early in the design process. Secondly, for the functional flow (energy, material, signal to be appropriately conveyed by the right amount of matter, the methodology provides guidance into how the components can be designed in a minimalism fashion leveraging the shape complexity afforded by AM. A mechanical

  11. Group Theoretical Approach for Controlled Quantum Mechanical Systems

    National Research Council Canada - National Science Library

    Tarn, Tzyh-Jong

    2007-01-01

    The aim of this research is the study of controllability of quantum mechanical systems and feedback control of de-coherence in order to gain an insight on the structure of control of quantum systems...

  12. Structural Interplay - Tuning Mechanics in Peptide-Polyurea Hybrids

    Science.gov (United States)

    Korley, Lashanda

    Utilizing cues from natural materials, we have been inspired to explore the hierarchical arrangement critical to energy absorption and mechanical enhancement in synthetic systems. Of particular interest is the soft domain ordering proposed as a contributing element to the observed toughness in spider silk. Multiblock copolymers, are ideal and dynamic systems in which to explore this approach via variations in secondary structure of nature's building blocks - peptides. We have designed a new class of polyurea hybrids that incorporate peptidic copolymers as the soft segment. The impact of hierarchical ordering on the thermal, mechanical, and morphological behavior of these bio-inspired polyurethanes with a siloxane-based, peptide soft segment was investigated. These peptide-polyurethane/urea hybrids were microphase segregated, and the beta-sheet secondary structure of the soft segment was preserved during polymerization and film casting. Toughness enhancement at low strains was achieved, but the overall extensibility of the peptide-incorporated systems was reduced due to the unique hard domain organization. To decouple the secondary structure influence in the siloxane-peptide soft segment from mechanics dominated by the hard domain, we also developed non-chain extended peptide-polyurea hybrids in which the secondary structure (beta sheet vs. alpha helix) was tuned via choice of peptide and peptide length. It was shown that this structural approach allowed tailoring of extensibility, toughness, and modulus. The sheet-dominant hybrid materials were typically tougher and more elastic due to intermolecular H-bonding facilitating load distribution, while the helical-prevalent systems generally exhibited higher stiffness. Recently, we have explored the impact of a molecular design strategy that overlays a covalent and physically crosslinked architecture in these peptide-polyurea hybrids, demonstrating that physical constraints in the network hybrids influences peptide

  13. MODAL TRACKING of A Structural Device: A Subspace Identification Approach

    Energy Technology Data Exchange (ETDEWEB)

    Candy, J. V. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Franco, S. N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ruggiero, E. L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Emmons, M. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lopez, I. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Stoops, L. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-03-20

    Mechanical devices operating in an environment contaminated by noise, uncertainties, and extraneous disturbances lead to low signal-to-noise-ratios creating an extremely challenging processing problem. To detect/classify a device subsystem from noisy data, it is necessary to identify unique signatures or particular features. An obvious feature would be resonant (modal) frequencies emitted during its normal operation. In this report, we discuss a model-based approach to incorporate these physical features into a dynamic structure that can be used for such an identification. The approach we take after pre-processing the raw vibration data and removing any extraneous disturbances is to obtain a representation of the structurally unknown device along with its subsystems that capture these salient features. One approach is to recognize that unique modal frequencies (sinusoidal lines) appear in the estimated power spectrum that are solely characteristic of the device under investigation. Therefore, the objective of this effort is based on constructing a black box model of the device that captures these physical features that can be exploited to “diagnose” whether or not the particular device subsystem (track/detect/classify) is operating normally from noisy vibrational data. Here we discuss the application of a modern system identification approach based on stochastic subspace realization techniques capable of both (1) identifying the underlying black-box structure thereby enabling the extraction of structural modes that can be used for analysis and modal tracking as well as (2) indicators of condition and possible changes from normal operation.

  14. Pedagogic Approach to the Mechanisms of Personality Identity Development

    Science.gov (United States)

    Shakurova, Marina V.

    2016-01-01

    The article addresses the problem of defining and attributing pedagogic essence to the mechanisms of personality identity development. It is based on the general mechanism of social interaction. Its structure contains, on the one hand, pedagogic interaction, including the forms of pedagogic assistance and pedagogic support; on the other hand, it…

  15. Modelling zirconium hydrides using the special quasirandom structure approach

    KAUST Repository

    Wang, Hao

    2013-01-01

    The study of the structure and properties of zirconium hydrides is important for understanding the embrittlement of zirconium alloys used as cladding in light water nuclear reactors. Simulation of the defect processes is complicated due to the random distribution of the hydrogen atoms. We propose the use of the special quasirandom structure approach as a computationally efficient way to describe this random distribution. We have generated six special quasirandom structure cells based on face centered cubic and face centered tetragonal unit cells to describe ZrH2-x (x = 0.25-0.5). Using density functional theory calculations we investigate the mechanical properties, stability, and electronic structure of the alloys. © the Owner Societies 2013.

  16. A validated approach for modeling collapse of steel structures

    Science.gov (United States)

    Saykin, Vitaliy Victorovich

    A civil engineering structure is faced with many hazardous conditions such as blasts, earthquakes, hurricanes, tornadoes, floods, and fires during its lifetime. Even though structures are designed for credible events that can happen during a lifetime of the structure, extreme events do happen and cause catastrophic failures. Understanding the causes and effects of structural collapse is now at the core of critical areas of national need. One factor that makes studying structural collapse difficult is the lack of full-scale structural collapse experimental test results against which researchers could validate their proposed collapse modeling approaches. The goal of this work is the creation of an element deletion strategy based on fracture models for use in validated prediction of collapse of steel structures. The current work reviews the state-of-the-art of finite element deletion strategies for use in collapse modeling of structures. It is shown that current approaches to element deletion in collapse modeling do not take into account stress triaxiality in vulnerable areas of the structure, which is important for proper fracture and element deletion modeling. The report then reviews triaxiality and its role in fracture prediction. It is shown that fracture in ductile materials is a function of triaxiality. It is also shown that, depending on the triaxiality range, different fracture mechanisms are active and should be accounted for. An approach using semi-empirical fracture models as a function of triaxiality are employed. The models to determine fracture initiation, softening and subsequent finite element deletion are outlined. This procedure allows for stress-displacement softening at an integration point of a finite element in order to subsequently remove the element. This approach avoids abrupt changes in the stress that would create dynamic instabilities, thus making the results more reliable and accurate. The calibration and validation of these models are

  17. Surveying Instructors' Attitudes and Approaches to Teaching Quantum Mechanics

    CERN Document Server

    Siddiqui, Shabnam

    2016-01-01

    Understanding instructor attitudes and approaches to teaching quantum mechanics can be helpful in developing research-based learning tools. Here we discuss the findings from a survey in which 13 instructors reflected on issues related to quantum mechanics teaching. Topics included opinions about the goals of a quantum mechanics course, general challenges in teaching the subject, student preparation for the course, comparison between their own learning of quantum mechanics vs. how they teach it and the extent to which contemporary topics are incorporated into the syllabus.

  18. The probabilistic mechanism of formation of block structures

    Science.gov (United States)

    Ivanov, V. I.

    2012-03-01

    Questions on the formation of block structures are considered. It is shown that the block structure is characteristic of bodies in a wide range of scales from microscopic to astronomic and from the bodies of nonliving nature to living organisms and communities. A scheme of the mechanism of the probabilistic formation of block structures is suggested. The characteristics general for structures of all scales are revealed. Evidence is presented that the hierarchical pattern of element sizes is characteristic of natural structures in which the ratio of linear sizes of elements neighboring by hierarchy is 2-5, while the characteristic scale coefficient is √ N , where N is the total number of elements of which the system is formed. The block-probabilistic approach ensures knowledge of rare catastrophic events, including earthquakes, market crashes, floods, and industrial catastrophes, or creative events such as the formation of hypercomplex systems similar to organisms and communities. The statistics of rare events follows the power distribution (the distribution with a "heavy tail") rather than the exponential one and especially the Poisson distribution, the Gaussian distribution, or the distributions with "light tails" close to them. The expression for the factor of increasing the formation probability of the systems, which is of many orders of magnitude even for the simplest systems, is acquired.

  19. Tensegrity structures - Computational and experimental tensegrity mechanics

    Science.gov (United States)

    Kuhl, Detlef; Lim, Yi Chung; Long, David S.

    2017-07-01

    The present paper deals with tensegrity structures. We review the definition of tensegrity structures, and describe both experimental and computational form finding methods. Also described are the numerical methods for the simulation of prestress induced stiffness, and the static and dynamic structural analyses. Furthermore, we present laboratory models and measurement methods for identifying the realized geometry and prestress state. Finally, computationally and experimentally obtained geometries and prestress states are compared, a representative realization of a real world tensegrity tower is shown and the modeling of biological cells as tensegrity structures is adressed.

  20. A mechanism-based approach to modeling ductile fracture.

    Energy Technology Data Exchange (ETDEWEB)

    Bammann, Douglas J.; Hammi, Youssef; Antoun, Bonnie R.; Klein, Patrick A.; Foulk, James W., III; McFadden, Sam X.

    2004-01-01

    Ductile fracture in metals has been observed to result from the nucleation, growth, and coalescence of voids. The evolution of this damage is inherently history dependent, affected by how time-varying stresses drive the formation of defect structures in the material. At some critically damaged state, the softening response of the material leads to strain localization across a surface that, under continued loading, becomes the faces of a crack in the material. Modeling localization of strain requires introduction of a length scale to make the energy dissipated in the localized zone well-defined. In this work, a cohesive zone approach is used to describe the post-bifurcation evolution of material within the localized zone. The relations are developed within a thermodynamically consistent framework that incorporates temperature and rate-dependent evolution relationships motivated by dislocation mechanics. As such, we do not prescribe the evolution of tractions with opening displacements across the localized zone a priori. The evolution of tractions is itself an outcome of the solution of particular, initial boundary value problems. The stress and internal state of the material at the point of bifurcation provides the initial conditions for the subsequent evolution of the cohesive zone. The models we develop are motivated by in-situ scanning electron microscopy of three-point bending experiments using 6061-T6 aluminum and 304L stainless steel, The in situ observations of the initiation and evolution of fracture zones reveal the scale over which the failure mechanisms act. In addition, these observations are essential for motivating the micromechanically-based models of the decohesion process that incorporate the effects of loading mode mixity, temperature, and loading rate. The response of these new cohesive zone relations is demonstrated by modeling the three-point bending configuration used for the experiments. In addition, we survey other methods with the potential

  1. Mechanical systems a unified approach to vibrations and controls

    CERN Document Server

    Gans, Roger F

    2015-01-01

    This essential textbook covers analysis and control of engineering mechanisms, which include almost any apparatus with moving parts used in daily life, from musical instruments to robots. The text  presents both vibrations and controls with considerable breadth and depth using a unified notation. It strikes a nice balance between the analytical and the practical.  This text contains enough material for a two semester sequence, but it can also be used in a single semester course combining the two topics. Mechanical Systems: A Unified Approach to Vibrations and Controls presents a common notation and approach to these closely related areas. Examples from the both vibrations and controls components are integrated throughout this text. This book also: ·         Presents a unified approach to vibrations and controls, including an excellent diagram that simultaneously discusses embedding classical vibrations (mechanical systems) in a discussion of models, inverse models, and open and closed loop control ...

  2. Nonlinear structural mechanics theory, dynamical phenomena and modeling

    CERN Document Server

    Lacarbonara, Walter

    2013-01-01

    Nonlinear Structural Mechanics: Theory, Dynamical Phenomena and Modeling offers a concise, coherent presentation of the theoretical framework of nonlinear structural mechanics, computational methods, applications, parametric investigations of nonlinear phenomena and their mechanical interpretation towards design. The theoretical and computational tools that enable the formulation, solution, and interpretation of nonlinear structures are presented in a systematic fashion so as to gradually attain an increasing level of complexity of structural behaviors, under the prevailing assumptions on the geometry of deformation, the constitutive aspects and the loading scenarios. Readers will find a treatment of the foundations of nonlinear structural mechanics towards advanced reduced models, unified with modern computational tools in the framework of the prominent nonlinear structural dynamic phenomena while tackling both the mathematical and applied sciences. Nonlinear Structural Mechanics: Theory, Dynamical Phenomena...

  3. Damping mechanisms and models in structural dynamics

    DEFF Research Database (Denmark)

    Krenk, Steen

    2002-01-01

    Several aspects of damping models for dynamic analysis of structures are investigated. First the causality condition for structural response is used to identify rules for the use of complex-valued frequency dependent material models, illustrated by the shortcomings of the elastic hysteretic model...

  4. Vibrational mechanics nonlinear dynamic effects, general approach, applications

    CERN Document Server

    Blekhman, Iliya I

    2000-01-01

    This important book deals with vibrational mechanics - the new, intensively developing section of nonlinear dynamics and the theory of nonlinear oscillations. It offers a general approach to the study of the effect of vibration on nonlinear mechanical systems.The book presents the mathematical apparatus of vibrational mechanics which is used to describe such nonlinear effects as the disappearance and appearance under vibration of stable positions of equilibrium and motions (i.e. attractors), the change of the rheological properties of the media, self-synchronization, self-balancing, the vibrat

  5. A Blended Learning Approach to Teach Fluid Mechanics in Engineering

    Science.gov (United States)

    Rahman, Ataur

    2017-01-01

    This paper presents a case study on the teaching and learning of fluid mechanics at the University of Western Sydney (UWS), Australia, by applying a blended learning approach (BLA). In the adopted BLA, various flexible learning materials have been made available to the students such as online recorded lectures, online recorded tutorials, hand…

  6. CONCEPTUAL APPROACHES TO CREATE CONTROL MECHANISM BY PASSENGER COMMUTATION SERVICES

    Directory of Open Access Journals (Sweden)

    V. O. Zadoya

    2010-11-01

    Full Text Available In the article the basic approaches of improving a management mechanism for passenger suburban railway transportations are considered, and the classification of reformation models for passenger suburban railway transportations depending on scales, degree of independence, department subordination and amount of proprietors of future company is offered.

  7. Unraveling the Mechanisms of Manual Therapy: Modeling an Approach.

    Science.gov (United States)

    Bialosky, Joel E; Beneciuk, Jason M; Bishop, Mark D; Coronado, Rogelio A; Penza, Charles W; Simon, Corey B; George, Steven Z

    2018-01-01

    Synopsis Manual therapy interventions are popular among individual health care providers and their patients; however, systematic reviews do not strongly support their effectiveness. Small treatment effect sizes of manual therapy interventions may result from a "one-size-fits-all" approach to treatment. Mechanistic-based treatment approaches to manual therapy offer an intriguing alternative for identifying patients likely to respond to manual therapy. However, the current lack of knowledge of the mechanisms through which manual therapy interventions inhibit pain limits such an approach. The nature of manual therapy interventions further confounds such an approach, as the related mechanisms are likely a complex interaction of factors related to the patient, the provider, and the environment in which the intervention occurs. Therefore, a model to guide both study design and the interpretation of findings is necessary. We have previously proposed a model suggesting that the mechanical force from a manual therapy intervention results in systemic neurophysiological responses leading to pain inhibition. In this clinical commentary, we provide a narrative appraisal of the model and recommendations to advance the study of manual therapy mechanisms. J Orthop Sports Phys Ther 2018;48(1):8-18. doi:10.2519/jospt.2018.7476.

  8. Modelling of Debond and Crack Propagation in Sandwich Structures Using Fracture and Damage Mechanics

    DEFF Research Database (Denmark)

    Berggreen, C.; Simonsen, Bo Cerup; Toernqvist, Rikard

    2003-01-01

    Skin-core de-bonding or core crack propagation will often be dominating mechanisms in the collapse modes of sandwich structures. This paper presents two different methods for prediction of crack propagation in a sandwich structure: a fracture mechanics approach, where a new mode-mix method...... is presented, and a local damage mechanics approach. The paper presents a real-life application example, where the superstructure in a vessel pulls the skin off the sandwich deck. The calculations show almost unstable crack growth initially followed by a stabilization, and a nearly linear relation between...

  9. Topology optimization in structural and continuum mechanics

    CERN Document Server

    Lewiński, Tomasz

    2014-01-01

    The book covers new developments in structural topology optimization. Basic features and limitations of Michell’s truss theory, its extension to a broader class of support conditions, generalizations of truss topology optimization, and Michell continua are reviewed. For elastic bodies, the layout problems in linear elasticity are discussed and the method of relaxation by homogenization is outlined. The classical problem of free material design is shown to be reducible to a locking material problem, even in the multiload case. For structures subjected to dynamic loads, it is explained how they can be designed so that the structural eigenfrequencies of vibration are as far away as possible from a prescribed external excitation frequency (or a band of excitation frequencies) in order to avoid resonance phenomena with high vibration and noise levels. For diffusive and convective transport processes and multiphysics problems, applications of the density method are discussed. In order to take uncertainty in mater...

  10. A Fractual Mechanical Testing and Design Strategy for FRC Structures

    DEFF Research Database (Denmark)

    Stang, Henrik; Olesen, John Forbes

    1999-01-01

    A unified testing and design strategy for fibre reinforced concrete structures is summarised. The strategy is based on fracture mechanical concepts. Emphasis is placed on material characterisation and testing specifications.......A unified testing and design strategy for fibre reinforced concrete structures is summarised. The strategy is based on fracture mechanical concepts. Emphasis is placed on material characterisation and testing specifications....

  11. Mechanical strength characterization of three-component composite structural components

    Science.gov (United States)

    Chumaevskii, A. V.; Tarasov, S. Yu.; Kolubaev, E. A.; Rubtsov, V. E.; Eliseev, A. A.

    2016-11-01

    Mechanical strength characterization of structural components made of three-component composite material using additive manufacturing has been carried out. The deformation and fracture behaviour of two types was revealed. Mechanical strength characteristics of structural components have been determined in connection with the material properties.

  12. Structural Hierarchy Governs Fibrin Gel Mechanics

    Science.gov (United States)

    Piechocka, Izabela K.; Bacabac, Rommel G.; Potters, Max; MacKintosh, Fred C.; Koenderink, Gijsje H.

    2010-01-01

    Abstract Fibrin gels are responsible for the mechanical strength of blood clots, which are among the most resilient protein materials in nature. Here we investigate the physical origin of this mechanical behavior by performing rheology measurements on reconstituted fibrin gels. We find that increasing levels of shear strain induce a succession of distinct elastic responses that reflect stretching processes on different length scales. We present a theoretical model that explains these observations in terms of the unique hierarchical architecture of the fibers. The fibers are bundles of semiflexible protofibrils that are loosely connected by flexible linker chains. This architecture makes the fibers 100-fold more flexible to bending than anticipated based on their large diameter. Moreover, in contrast with other biopolymers, fibrin fibers intrinsically stiffen when stretched. The resulting hierarchy of elastic regimes explains the incredible resilience of fibrin clots against large deformations. PMID:20483337

  13. Simple Approach for De Novo Structural Identification of Mannose Trisaccharides

    Science.gov (United States)

    Hsu, Hsu Chen; Liew, Chia Yen; Huang, Shih-Pei; Tsai, Shang-Ting; Ni, Chi-Kung

    2017-12-01

    Oligosaccharides have diverse functions in biological systems. However, the structural determination of oligosaccharides remains difficult and has created a bottleneck in carbohydrate research. In this study, a new approach for the de novo structural determination of underivatized oligosaccharides is demonstrated. A low-energy collision-induced dissociation (CID) of sodium ion adducts was used to facilitate the cleavage of desired chemical bonds during the dissociation. The selection of fragments for the subsequent CID was guided using a procedure that we built from the understanding of the saccharide dissociation mechanism. The linkages, anomeric configurations, and branch locations of oligosaccharides were determined by comparing the CID spectra of oligosaccharide with the fragmentation patterns based on the dissociation mechanism and our specially prepared disaccharide CID spectrum database. The usefulness of this method was demonstrated to determine the structures of several mannose trisaccharides. This method can also be applied in the structural determination of oligosaccharides larger than trisaccharides and containing hexose other than mannose if authentic standards are available. [Figure not available: see fulltext.

  14. Towards a mechanism-based approach to pain diagnosis

    Science.gov (United States)

    Vardeh, Daniel

    2016-01-01

    The last few decades have witnessed a huge leap forward in our understanding of the mechanistic underpinnings of pain, both in normal states where it helps protect from injury, and in pathological states where pain evolves from a symptom reflecting tissue injury to become the disease itself. However, despite these scientific advances, chronic pain remains extremely challenging to manage clinically. While the number of potential treatment targets has grown substantially and a strong case has been made for a mechanism-based and individualized approach to pain therapy, arguably clinicians are not much more advanced now than 20 years ago, in their capacity to either diagnose or effectively treat their patients. The gulf between pain research and pain management is as wide as ever. We are still currently unable to apply an evidence-based approach to chronic pain management that reflects mechanistic understanding, and instead, clinical practice remains an empirical and often unsatisfactory journey for patients, whose individual response to treatment cannot be predicted. Here we take a common and difficult to treat pain condition, chronic low back pain, and use its presentation in clinical practice as a framework to highlight what is known about pathophysiological pain mechanisms and how we could potentially detect these to drive rational treatment choice. We discuss how present methods of assessment and management still fall well short, however, of any mechanism-based or precision-medicine approach. Nevertheless, substantial improvements in chronic pain management could be possible if a more strategic and coordinated approach were to evolve, one designed to identify the specific mechanisms driving the presenting pain phenotype. We present an analysis of such an approach, highlighting the major problems in identifying mechanisms in patients, and develop a framework for a pain diagnostic ladder that may prove useful in the future, consisting of successive identification of

  15. CRISPR-Cas9 Structures and Mechanisms.

    Science.gov (United States)

    Jiang, Fuguo; Doudna, Jennifer A

    2017-05-22

    Many bacterial clustered regularly interspaced short palindromic repeats (CRISPR)-CRISPR-associated (Cas) systems employ the dual RNA-guided DNA endonuclease Cas9 to defend against invading phages and conjugative plasmids by introducing site-specific double-stranded breaks in target DNA. Target recognition strictly requires the presence of a short protospacer adjacent motif (PAM) flanking the target site, and subsequent R-loop formation and strand scission are driven by complementary base pairing between the guide RNA and target DNA, Cas9-DNA interactions, and associated conformational changes. The use of CRISPR-Cas9 as an RNA-programmable DNA targeting and editing platform is simplified by a synthetic single-guide RNA (sgRNA) mimicking the natural dual trans-activating CRISPR RNA (tracrRNA)-CRISPR RNA (crRNA) structure. This review aims to provide an in-depth mechanistic and structural understanding of Cas9-mediated RNA-guided DNA targeting and cleavage. Molecular insights from biochemical and structural studies provide a framework for rational engineering aimed at altering catalytic function, guide RNA specificity, and PAM requirements and reducing off-target activity for the development of Cas9-based therapies against genetic diseases.

  16. Approaches to the structural modelling of insect wings.

    Science.gov (United States)

    Wootton, R J; Herbert, R C; Young, P G; Evans, K E

    2003-09-29

    Insect wings lack internal muscles, and the orderly, necessary deformations which they undergo in flight and folding are in part remotely controlled, in part encoded in their structure. This factor is crucial in understanding their complex, extremely varied morphology. Models have proved particularly useful in clarifying the facilitation and control of wing deformation. Their development has followed a logical sequence from conceptual models through physical and simple analytical to numerical models. All have value provided their limitations are realized and constant comparisons made with the properties and mechanical behaviour of real wings. Numerical modelling by the finite element method is by far the most time-consuming approach, but has real potential in analysing the adaptive significance of structural details and interpreting evolutionary trends. Published examples are used to review the strengths and weaknesses of each category of model, and a summary is given of new work using finite element modelling to investigate the vibration properties and response to impact of hawkmoth wings.

  17. Application of Composite Mechanics to Composites Enhanced Concrete Structures

    Science.gov (United States)

    Chamis, Christos C.; Gotsis, Pascal K.

    2006-01-01

    A new and effective method is described to design composites to repair damage or enhance the overload strength of concrete infrastructures. The method is based on composite mechanics which is available in computer codes. It is used to simulate structural sections made from reinforced concrete which are typical in infrastructure as well as select reinforced concrete structures. The structural sections are represented by a number of layers through the thickness where different layers are used in concrete, and for the composite. The reinforced concrete structures are represented with finite elements where the element stiffness parameters are from the structural sections which are represented by composite mechanics. The load carrying capability of the structure is determined by progressive structural fracture. Results show up to 40 percent improvements for damage and for overload enhancement with relatively small laminate thickness for the structural sections and up to three times for the composite enhanced select structures (arches and domes).

  18. Regional Mechanics Determine Collagen Fiber Structure in Healing Myocardial Infarcts

    OpenAIRE

    Fomovsky, Gregory M.; Rouillard, Andrew D; Holmes, Jeffrey W.

    2012-01-01

    Following myocardial infarction, the mechanical properties of the healing infarct are an important determinant of heart function and the risk of progression to heart failure. In particular, mechanical anisotropy (having different mechanical properties in different directions) in the healing infarct can preserve pump function of the heart. Based on reports of different collagen structures and mechanical properties in various animal models, we hypothesized that differences in infarct size, shap...

  19. Structure and mechanism of rhomboid protease.

    Science.gov (United States)

    Ha, Ya; Akiyama, Yoshinori; Xue, Yi

    2013-05-31

    Rhomboid protease was first discovered in Drosophila. Mutation of the fly gene interfered with growth factor signaling and produced a characteristic phenotype of a pointed head skeleton. The name rhomboid has since been widely used to describe a large family of related membrane proteins that have diverse biological functions but share a common catalytic core domain composed of six membrane-spanning segments. Most rhomboid proteases cleave membrane protein substrates near the N terminus of their transmembrane domains. How these proteases function within the confines of the membrane is not completely understood. Recent progress in crystallographic analysis of the Escherichia coli rhomboid protease GlpG in complex with inhibitors has provided new insights into the catalytic mechanism of the protease and its conformational change. Improved biochemical assays have also identified a substrate sequence motif that is specifically recognized by many rhomboid proteases.

  20. Structure and Mechanism of Rhomboid Protease*

    Science.gov (United States)

    Ha, Ya; Akiyama, Yoshinori; Xue, Yi

    2013-01-01

    Rhomboid protease was first discovered in Drosophila. Mutation of the fly gene interfered with growth factor signaling and produced a characteristic phenotype of a pointed head skeleton. The name rhomboid has since been widely used to describe a large family of related membrane proteins that have diverse biological functions but share a common catalytic core domain composed of six membrane-spanning segments. Most rhomboid proteases cleave membrane protein substrates near the N terminus of their transmembrane domains. How these proteases function within the confines of the membrane is not completely understood. Recent progress in crystallographic analysis of the Escherichia coli rhomboid protease GlpG in complex with inhibitors has provided new insights into the catalytic mechanism of the protease and its conformational change. Improved biochemical assays have also identified a substrate sequence motif that is specifically recognized by many rhomboid proteases. PMID:23585569

  1. State, power, and domination. An approach on its mechanisms

    Directory of Open Access Journals (Sweden)

    Paola García Reyes

    2017-11-01

    Full Text Available This article offers an approach to the interactions between State and social actors, based on the analysis of three cases in which opportunistic or violent actors were associated with policies to promote growing of palm oil in Colombia. We move away from other approaches which describe these interactions as cooptation and suggest they can be better understood as processes associated with the exercise of indirect domination by the State. To this end, we present an overall framework of analysis, review relevant policies, offer a description of the cases, and propose three mechanisms of indirect state domination: privateers, friends and Gullivers.

  2. A Bayesian Approach for Structural Learning with Hidden Markov Models

    Directory of Open Access Journals (Sweden)

    Cen Li

    2002-01-01

    Full Text Available Hidden Markov Models(HMM have proved to be a successful modeling paradigm for dynamic and spatial processes in many domains, such as speech recognition, genomics, and general sequence alignment. Typically, in these applications, the model structures are predefined by domain experts. Therefore, the HMM learning problem focuses on the learning of the parameter values of the model to fit the given data sequences. However, when one considers other domains, such as, economics and physiology, model structure capturing the system dynamic behavior is not available. In order to successfully apply the HMM methodology in these domains, it is important that a mechanism is available for automatically deriving the model structure from the data. This paper presents a HMM learning procedure that simultaneously learns the model structure and the maximum likelihood parameter values of a HMM from data. The HMM model structures are derived based on the Bayesian model selection methodology. In addition, we introduce a new initialization procedure for HMM parameter value estimation based on the K-means clustering method. Experimental results with artificially generated data show the effectiveness of the approach.

  3. Structure and mechanics of starfish body wall.

    Science.gov (United States)

    O'Neill, P

    1989-11-01

    The structure of the dorsal body wall of the starfish Echinaster spinulosus was studied using polarized light microscopy of frozen tissues, scanning electron microscopy and histology. The collagen fibres of the body wall form a three-dimensional orthogonal web. Voids in the web contain ossicles and papulae. The orthogonal web delivers dimensional stability but allows shear necessary for ray torsion. The ossicles and fibres interact to load the fibres in tension and the ossicles in compression. Strain rates of the dorsal body wall were measured on live animals during typical movements. Uniaxial tension tests of the body wall yielded Young's moduli of 267 MPa (longitudinal), 249 MPa (transverse) and 353 MPa (bias); curves were essentially linear. The body wall was approximately linearly viscoelastic and showed hysteresis at 0.01 Hz. Stress relaxation over five decades of time (in seconds) yielded relaxation spectra with peaks in relaxation time at 2.96-3.35, depending on test direction. Stress relaxation caused the connective tissue to soften. The surface of fractured stress-relaxed tissue revealed wispy, dissociated fibril tufts, whereas unrelaxed fractures produced blunt-ended fibre bundles. Neural control was necessary for body wall integrity.

  4. Alzheimer’s Disease: Mechanism and Approach to Cell Therapy

    Directory of Open Access Journals (Sweden)

    Takashi Amemori

    2015-11-01

    Full Text Available Alzheimer’s disease (AD is the most common form of dementia. The risk of AD increases with age. Although two of the main pathological features of AD, amyloid plaques and neurofibrillary tangles, were already recognized by Alois Alzheimer at the beginning of the 20th century, the pathogenesis of the disease remains unsettled. Therapeutic approaches targeting plaques or tangles have not yet resulted in satisfactory improvements in AD treatment. This may, in part, be due to early-onset and late-onset AD pathogenesis being underpinned by different mechanisms. Most animal models of AD are generated from gene mutations involved in early onset familial AD, accounting for only 1% of all cases, which may consequently complicate our understanding of AD mechanisms. In this article, the authors discuss the pathogenesis of AD according to the two main neuropathologies, including senescence-related mechanisms and possible treatments using stem cells, namely mesenchymal and neural stem cells.

  5. A Graphical Approach to Quantitative Structural Geology.

    Science.gov (United States)

    De Paor, Declan G.

    1986-01-01

    Describes how computer graphic methods can be used in teaching structural geology. Describes the design of a graphics workstation for the Apple microcomputer. Includes a listing of commands used with software to plot structures in a digitized form. Argues for the establishment of computer laboratories for structural geology classes. (TW)

  6. Mechanisms of layer structure formation in peritectic alloys

    Energy Technology Data Exchange (ETDEWEB)

    Mazumder, P.; Trivedi, R. [Ames Lab., IA (United States); Karma, A. [Northeastern Univ., Boston, MA (United States)

    1998-12-31

    The mechanisms of layer structure formation in the two phase region of peritectic systems are discussed. Under diffusive growth conditions, a banded structure is predicted within a narrow composition range in the hypoperitectic composition. Experimental studies show the formation of an oscillatory structure in the hyperperitectic region. It is shown that this structure is induced by convection in the melt, and it is a novel structure in which a large single tree-like structure of primary phase is surrounded by the peritectic phase. Basic ideas of convection that lead to this tree-like morphology are described.

  7. Continuum Damage Mechanics A Continuum Mechanics Approach to the Analysis of Damage and Fracture

    CERN Document Server

    Murakami, Sumio

    2012-01-01

    Recent developments in engineering and technology have brought about serious and enlarged demands for reliability, safety and economy in wide range of fields such as aeronautics, nuclear engineering, civil and structural engineering, automotive and production industry.  This, in turn, has caused more interest in continuum damage mechanics and its engineering applications.   This book aims to give a concise overview of the current state of damage mechanics, and then to show the fascinating possibility of this promising branch of mechanics, and to provide researchers, engineers and graduate students with an intelligible and self-contained textbook.   The book consists of two parts and an appendix.  Part I  is concerned with the foundation of continuum damage mechanics.  Basic concepts of material damage and the mechanical representation of damage state of various kinds are described in Chapters 1 and 2.  In Chapters 3-5, irreversible thermodynamics, thermodynamic constitutive theory and its application ...

  8. Mechanisms of Choice Behavior Shift Using Cue-approach Training.

    Science.gov (United States)

    Bakkour, Akram; Leuker, Christina; Hover, Ashleigh M; Giles, Nathan; Poldrack, Russell A; Schonberg, Tom

    2016-01-01

    Cue-approach training has been shown to effectively shift choices for snack food items by associating a cued button-press motor response to particular food items. Furthermore, attention was biased toward previously cued items, even when the cued item is not chosen for real consumption during a choice phase. However, the exact mechanism by which preferences shift during cue-approach training is not entirely clear. In three experiments, we shed light on the possible underlying mechanisms at play during this novel paradigm: (1) Uncued, wholly predictable motor responses paired with particular food items were not sufficient to elicit a preference shift; (2) Cueing motor responses early - concurrently with food item onset - and thus eliminating the need for heightened top-down attention to the food stimulus in preparation for a motor response also eliminated the shift in food preferences. This finding reinforces our hypothesis that heightened attention at behaviorally relevant points in time is key to changing choice behavior in the cue-approach task; (3) Crucially, indicating choice using eye movements rather than manual button presses preserves the effect, thus demonstrating that the shift in preferences is not governed by a learned motor response but more likely via modulation of subjective value in higher associative regions, consistent with previous neuroimaging results. Cue-approach training drives attention at behaviorally relevant points in time to modulate the subjective value of individual items, providing a mechanism for behavior change that does not rely on external reinforcement and that holds great promise for developing real world behavioral interventions.

  9. The Analysis and Development of a Mechanical Breadboard Structure

    Science.gov (United States)

    2006-12-01

    69 vi 5.2 Mind Mapping ...................................................................... 70 5.3 Structural Breakdown...5.2 Mind Mapping Mind mapping is one approach to the problem of idea generation and organization (Otto and Wood, 2001). It begins with a central

  10. Effect of tomato internal structure on its mechanical properties and ...

    African Journals Online (AJOL)

    ONOS

    2010-03-22

    Mar 22, 2010 ... As different tomatoes have different locular cavities and a particular tomato material is inhomogeneous, the effect of tomato internal structure on its mechanical properties and degree of mechanical damage may be significant during the gripping process with robot fingers. This was studied using the ...

  11. Effect of tomato internal structure on its mechanical properties and ...

    African Journals Online (AJOL)

    ... locular cavities and a particular tomato material is inhomogeneous, the effect of tomato internal structure on its mechanical properties and degree of mechanical damage may be significant during the gripping process with robot fingers. This was studied using the loading-unloading experiment as well as the observation of ...

  12. A Probabilistic Physics of Failure Approach for Structure Corrosion Reliability Analysis

    OpenAIRE

    Chaoyang Xie; Hong-Zhong Huang

    2016-01-01

    Corrosion is recognized as one of the most important degradation mechanisms that affect the long-term reliability and integrity of metallic structures. Studying the structural reliability with pitting corrosion damage is useful for risk control and safety operation for the corroded structure. This paper proposed a structure corrosion reliability analysis approach based on the physics-based failure model of pitting corrosion, where the states of pitting growth, pit-to-crack, and cracking propa...

  13. Particular Approaches about Symmetrical Structures Dynamics

    OpenAIRE

    Aurora Potirniche

    2013-01-01

    The paper presents some aspects about dynamic behaviour of a rigid structure building insulated on anti-seismic elastic devices. The structure presents symmetries in terms of the geometrical and insulation configurations, and this allows decoupling of the eigenmodes. Thereby, is simpler to evaluate the impact of the dynamic forces transmitted through the terrain-structure path during the earthquake. Based on the vibration isolation theory, it can be evaluated the isolation d...

  14. Generalized statistical mechanics approaches to earthquakes and tectonics.

    Science.gov (United States)

    Vallianatos, Filippos; Papadakis, Giorgos; Michas, Georgios

    2016-12-01

    Despite the extreme complexity that characterizes the mechanism of the earthquake generation process, simple empirical scaling relations apply to the collective properties of earthquakes and faults in a variety of tectonic environments and scales. The physical characterization of those properties and the scaling relations that describe them attract a wide scientific interest and are incorporated in the probabilistic forecasting of seismicity in local, regional and planetary scales. Considerable progress has been made in the analysis of the statistical mechanics of earthquakes, which, based on the principle of entropy, can provide a physical rationale to the macroscopic properties frequently observed. The scale-invariant properties, the (multi) fractal structures and the long-range interactions that have been found to characterize fault and earthquake populations have recently led to the consideration of non-extensive statistical mechanics (NESM) as a consistent statistical mechanics framework for the description of seismicity. The consistency between NESM and observations has been demonstrated in a series of publications on seismicity, faulting, rock physics and other fields of geosciences. The aim of this review is to present in a concise manner the fundamental macroscopic properties of earthquakes and faulting and how these can be derived by using the notions of statistical mechanics and NESM, providing further insights into earthquake physics and fault growth processes.

  15. Generalized statistical mechanics approaches to earthquakes and tectonics

    Science.gov (United States)

    Papadakis, Giorgos; Michas, Georgios

    2016-01-01

    Despite the extreme complexity that characterizes the mechanism of the earthquake generation process, simple empirical scaling relations apply to the collective properties of earthquakes and faults in a variety of tectonic environments and scales. The physical characterization of those properties and the scaling relations that describe them attract a wide scientific interest and are incorporated in the probabilistic forecasting of seismicity in local, regional and planetary scales. Considerable progress has been made in the analysis of the statistical mechanics of earthquakes, which, based on the principle of entropy, can provide a physical rationale to the macroscopic properties frequently observed. The scale-invariant properties, the (multi) fractal structures and the long-range interactions that have been found to characterize fault and earthquake populations have recently led to the consideration of non-extensive statistical mechanics (NESM) as a consistent statistical mechanics framework for the description of seismicity. The consistency between NESM and observations has been demonstrated in a series of publications on seismicity, faulting, rock physics and other fields of geosciences. The aim of this review is to present in a concise manner the fundamental macroscopic properties of earthquakes and faulting and how these can be derived by using the notions of statistical mechanics and NESM, providing further insights into earthquake physics and fault growth processes. PMID:28119548

  16. A comprehensive comparison of comparative RNA structure prediction approaches

    DEFF Research Database (Denmark)

    Gardner, P. P.; Giegerich, R.

    2004-01-01

    Background An increasing number of researchers have released novel RNA structure analysis and prediction algorithms for comparative approaches to structure prediction. Yet, independent benchmarking of these algorithms is rarely performed as is now common practice for protein-folding, gene...

  17. A structural SVM approach for reference parsing.

    Science.gov (United States)

    Zhang, Xiaoli; Zou, Jie; Le, Daniel X; Thoma, George R

    2011-06-09

    Automated extraction of bibliographic data, such as article titles, author names, abstracts, and references is essential to the affordable creation of large citation databases. References, typically appearing at the end of journal articles, can also provide valuable information for extracting other bibliographic data. Therefore, parsing individual reference to extract author, title, journal, year, etc. is sometimes a necessary preprocessing step in building citation-indexing systems. The regular structure in references enables us to consider reference parsing a sequence learning problem and to study structural Support Vector Machine (structural SVM), a newly developed structured learning algorithm on parsing references. In this study, we implemented structural SVM and used two types of contextual features to compare structural SVM with conventional SVM. Both methods achieve above 98% token classification accuracy and above 95% overall chunk-level accuracy for reference parsing. We also compared SVM and structural SVM to Conditional Random Field (CRF). The experimental results show that structural SVM and CRF achieve similar accuracies at token- and chunk-levels. When only basic observation features are used for each token, structural SVM achieves higher performance compared to SVM since it utilizes the contextual label features. However, when the contextual observation features from neighboring tokens are combined, SVM performance improves greatly, and is close to that of structural SVM after adding the second order contextual observation features. The comparison of these two methods with CRF using the same set of binary features show that both structural SVM and CRF perform better than SVM, indicating their stronger sequence learning ability in reference parsing.

  18. Particular Approaches about Symmetrical Structures Dynamics

    Directory of Open Access Journals (Sweden)

    Aurora Potirniche

    2013-09-01

    Full Text Available The paper presents some aspects about dynamic behaviour of a rigid structure building insulated on anti-seismic elastic devices. The structure presents symmetries in terms of the geometrical and insulation configurations, and this allows decoupling of the eigenmodes. Thereby, is simpler to evaluate the impact of the dynamic forces transmitted through the terrain-structure path during the earthquake. Based on the vibration isolation theory, it can be evaluated the isolation degree for the considered structure. It has considered as an excitation factor the complex signal of an earthquake defined through the ground motion acceleration. The analysis that was made in the paper reveals the need to identification and evaluation requirements for the functional correlations between the reference parameters of the considered structure and the characteristics of the isolating and insulating devices.

  19. Composite Dry Structure Cost Improvement Approach

    Science.gov (United States)

    Nettles, Alan; Nettles, Mindy

    2015-01-01

    This effort demonstrates that by focusing only on properties of relevance, composite interstage and shroud structures can be placed on the Space Launch System vehicle that simultaneously reduces cost, improves reliability, and maximizes performance, thus providing the Advanced Development Group with a new methodology of how to utilize composites to reduce weight for composite structures on launch vehicles. Interstage and shroud structures were chosen since both of these structures are simple in configuration and do not experience extreme environments (such as cryogenic or hot gas temperatures) and should represent a good starting point for flying composites on a 'man-rated' vehicle. They are used as an example only. The project involves using polymer matrix composites for launch vehicle structures, and the logic and rationale behind the proposed new methodology.

  20. THE STRUCTURAL AND MECHANICAL PROPERTIES OF THE BONE

    Directory of Open Access Journals (Sweden)

    Robert Karpiński

    2017-06-01

    Full Text Available The work contains basic information on the anatomy and physiology of bone tissue. Basic concepts related to the structure of bone tissue are presented. General issues related to bone reconstruction processes and biomechanical structural adaptations processes were described. Mechanical parameters of bone tissue were presented.

  1. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.

    2000-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need to be appl...

  2. Modal Testing of Mechanical Structures subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.

    2001-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need to be appl...

  3. From Microactions to Macrostructure and Back: A Structurational Approach to the Evolution of Organizational Networks

    Science.gov (United States)

    Whitbred, Robert; Fonti, Fabio; Steglich, Christian; Contractor, Noshir

    2011-01-01

    Structuration theory (ST) and network analysis are promising approaches for studying the emergence of communication networks. We offer a model that integrates the conceptual richness of structuration with the precision of relevant concepts and mechanisms offered from communication network research. We leverage methodological advancements (i.e.,…

  4. Reliability of Mechanical Structures with Considering Seismic Loading

    Directory of Open Access Journals (Sweden)

    Drahomír RYCHECKÝ

    2013-06-01

    Full Text Available The paper deals with summarization of methods used in seismic response evaluation of mechanical structures. The seismic evaluation of structures is inseparable condition in the design of hazardous facilities such as nuclear power plants. Based on demanded results, different methods can be used. For instance, when the anchorage of the structure is determinative, the equivalent static method (ESM can be advantageously used. To evaluate complex seismic response of a large mechanical structure the ESM is un-sufficient and e.g. for steady-state response of the structure the response spectrum method (RSM can be employed [3]. The RSM combines the response based on known mode shapes. Applying direct time-history (accelerogram is also possibility but time consuming. The paper contains definition of seismic safety factor for determining safety reserve of structures. All methods are applied on a sample example. Obtained results of each method are compared and discussed.

  5. Einstein's Approach to Statistical Mechanics: The 1902-04 Papers

    CERN Document Server

    Peliti, Luca

    2016-01-01

    We summarize the papers published by Einstein in the Annalen der Physik in the years 1902-04 on the derivation of the properties of thermal equilibrium on the basis of the mechanical equations of motion and of the calculus of probabilities. We point out the line of thought that led Einstein to an especially economical foundation of the discipline, and to focus on fluctuations of the energy as a possible tool for establishing the validity of this foundation. We also sketch a comparison of Einstein's approach with that of Gibbs, suggesting that although they obtained similar results, they had different motivations and interpreted them in very different ways.

  6. Nonlinear mechanics of non-rigid origami: an efficient computational approach

    Science.gov (United States)

    Liu, K.; Paulino, G. H.

    2017-10-01

    Origami-inspired designs possess attractive applications to science and engineering (e.g. deployable, self-assembling, adaptable systems). The special geometric arrangement of panels and creases gives rise to unique mechanical properties of origami, such as reconfigurability, making origami designs well suited for tunable structures. Although often being ignored, origami structures exhibit additional soft modes beyond rigid folding due to the flexibility of thin sheets that further influence their behaviour. Actual behaviour of origami structures usually involves significant geometric nonlinearity, which amplifies the influence of additional soft modes. To investigate the nonlinear mechanics of origami structures with deformable panels, we present a structural engineering approach for simulating the nonlinear response of non-rigid origami structures. In this paper, we propose a fully nonlinear, displacement-based implicit formulation for performing static/quasi-static analyses of non-rigid origami structures based on `bar-and-hinge' models. The formulation itself leads to an efficient and robust numerical implementation. Agreement between real models and numerical simulations demonstrates the ability of the proposed approach to capture key features of origami behaviour.

  7. Handbook of damage mechanics nano to macro scale for materials and structures

    CERN Document Server

    2015-01-01

    This authoritative reference provides comprehensive coverage of the topics of damage and healing mechanics. Computational modeling of constitutive equations is provided as well as solved examples in engineering applications. A wide range of materials that engineers may encounter are covered, including metals, composites, ceramics, polymers, biomaterials, and nanomaterials. The internationally recognized team of contributors employ a consistent and systematic approach, offering readers a user-friendly reference that is ideal for frequent consultation. Handbook of Damage Mechanics: Nano to Macro Scale for Materials and Structures is ideal for graduate students and faculty, researchers, and professionals in the fields of Mechanical Engineering, Civil Engineering, Aerospace Engineering, Materials Science, and Engineering Mechanics.

  8. Dynamics in the Decompositions Approach to Quantum Mechanics

    Science.gov (United States)

    Harding, John

    2017-12-01

    In Harding (Trans. Amer. Math. Soc. 348(5), 1839-1862 1996) it was shown that the direct product decompositions of any non-empty set, group, vector space, and topological space X form an orthomodular poset Fact X. This is the basis for a line of study in foundational quantum mechanics replacing Hilbert spaces with other types of structures. Here we develop dynamics and an abstract version of a time independent Schrödinger's equation in the setting of decompositions by considering representations of the group of real numbers in the automorphism group of the orthomodular poset Fact X of decompositions.

  9. Sensitivity based reduced approaches for structural reliability analysis

    Indian Academy of Sciences (India)

    captured by a safety-factor based approach due to the intricate nonlinear relationships between the system parameters and the natural frequencies. For these reasons a scientific and systematic approach is required to predict the probability of failure of a structure at the design stage. Probabilistic structural reliability analysis ...

  10. Large deviations of ergodic counting processes: a statistical mechanics approach.

    Science.gov (United States)

    Budini, Adrián A

    2011-07-01

    The large-deviation method allows to characterize an ergodic counting process in terms of a thermodynamic frame where a free energy function determines the asymptotic nonstationary statistical properties of its fluctuations. Here we study this formalism through a statistical mechanics approach, that is, with an auxiliary counting process that maximizes an entropy function associated with the thermodynamic potential. We show that the realizations of this auxiliary process can be obtained after applying a conditional measurement scheme to the original ones, providing is this way an alternative measurement interpretation of the thermodynamic approach. General results are obtained for renewal counting processes, that is, those where the time intervals between consecutive events are independent and defined by a unique waiting time distribution. The underlying statistical mechanics is controlled by the same waiting time distribution, rescaled by an exponential decay measured by the free energy function. A scale invariance, shift closure, and intermittence phenomena are obtained and interpreted in this context. Similar conclusions apply for nonrenewal processes when the memory between successive events is induced by a stochastic waiting time distribution.

  11. Large deviations of ergodic counting processes: A statistical mechanics approach

    Science.gov (United States)

    Budini, Adrián A.

    2011-07-01

    The large-deviation method allows to characterize an ergodic counting process in terms of a thermodynamic frame where a free energy function determines the asymptotic nonstationary statistical properties of its fluctuations. Here we study this formalism through a statistical mechanics approach, that is, with an auxiliary counting process that maximizes an entropy function associated with the thermodynamic potential. We show that the realizations of this auxiliary process can be obtained after applying a conditional measurement scheme to the original ones, providing is this way an alternative measurement interpretation of the thermodynamic approach. General results are obtained for renewal counting processes, that is, those where the time intervals between consecutive events are independent and defined by a unique waiting time distribution. The underlying statistical mechanics is controlled by the same waiting time distribution, rescaled by an exponential decay measured by the free energy function. A scale invariance, shift closure, and intermittence phenomena are obtained and interpreted in this context. Similar conclusions apply for nonrenewal processes when the memory between successive events is induced by a stochastic waiting time distribution.

  12. Determining the Mechanical Properties of Lattice Block Structures

    Science.gov (United States)

    Wilmoth, Nathan

    2013-01-01

    Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

  13. Topological complexity of crystal structures: quantitative approach.

    Science.gov (United States)

    Krivovichev, Sergey

    2012-05-01

    The topological complexity of a crystal structure can be quantitatively evaluated using complexity measures of its quotient graph, which is defined as a projection of a periodic network of atoms and bonds onto a finite graph. The Shannon information-based measures of complexity such as topological information content, I(G), and information content of the vertex-degree distribution of a quotient graph, I(vd), are shown to be efficient for comparison of the topological complexity of polymorphs and chemically related structures. The I(G) measure is sensitive to the symmetry of the structure, whereas the I(vd) measure better describes the complexity of the bonding network. © 2012 International Union of Crystallography

  14. Mechanical Behavior of Tough Hydrogels for Structural Applications

    Science.gov (United States)

    Illeperuma, Widusha Ruwangi Kaushalya

    Hydrogels are widely used in many commercial products including Jell-O, contact lenses, and superabsorbent diapers. In recent decades, hydrogels have been under intense development for biomedical applications, such as scaffolds in tissue engineering, carriers for drug delivery, and valves in microfluidic systems. But the scope is severely limited as conventional hydrogels are weak and brittle and are not very stretchable. This thesis investigates the approaches that enhance the mechanical properties of hydrogels and their structural applications. We discov¬ered a class of exceptionally stretchable and tough hydrogels made from poly-mers that form networks via ionic and covalent crosslinks. Although such a hydrogel contains ~90% water, it can be stretched beyond 20 times its initial length, and has a fracture energy of ~9000 J/m2. The combination of large stretchability, remarkable toughness, and recoverability of stiffness and toughness, along with easy synthesis makes this material much superior over existing hydrogels. Extreme stretchability and blunted crack tips of these hydrogels question the validity of traditional fracture testing methods. We re-examine a widely used pure shear test method to measure the fracture energy. With the experimental and simulation results, we conclude that the pure shear test method can be used to measure fracture energy of extremely stretchable materials. Even though polyacrylamide-alginate hydrogels have an extremely high toughness, it has a relatively low stiffness and strength. We improved the stiffness and strength by embedding fibers. Most hydrogels are brittle, allowing the fibers to cut through the hydrogel when the composite is loaded. But tough hydrogel composites do not fail by the fibers cutting the hydrogel; instead, it undergoes large deforming by fibers sliding through the matrix. Hydrogels were not considered as materials for structural applications. But with enhanced mechanical properties, they have opened up

  15. Advanced methods of continuum mechanics for materials and structures

    CERN Document Server

    Aßmus, Marcus

    2016-01-01

    This volume presents a collection of contributions on advanced approaches of continuum mechanics, which were written to celebrate the 60th birthday of Prof. Holm Altenbach. The contributions are on topics related to the theoretical foundations for the analysis of rods, shells and three-dimensional solids, formulation of constitutive models for advanced materials, as well as development of new approaches to the modeling of damage and fractures.

  16. Theoretical Study of Structure and Synthesis Mechanism of Superheavy Nuclei

    Science.gov (United States)

    Zhou, Shan-Gui

    The study of superheavy nuclei (SHN) is on the frontier of modern nuclear physics. In recent years, we have carried out theoretical investigations of both the structure properties and the synthesis mechanism of SHN. In this contribution, we briefly review these progresses and focus on the study of potential energy surfaces and fission barriers of actinide nuclei by using the MDC-RMF model and that of the fusion mechanism by using the ImQMD model.

  17. Different design approaches to structural fire safety

    DEFF Research Database (Denmark)

    Giuliani, Luisa; Budny, I.

    2013-01-01

    ) design for resistance class; ii) design for fully developed fire; iii) advanced design.The first two refer to well established procedures proposed by prescriptive regulations, and even if it seem possible to identify different unexpressed safety goals among the two, still it is not easy to a...... with reference to one frame of the considered car park, outlining the most problematic aspects in the modelling and in the interpretation of the results and making a focus on the collapse mechanisms of steel frames such has catenary action and sway and non-sway collapse....

  18. Failure mechanisms in energy-absorbing composite structures

    Science.gov (United States)

    Johnson, Alastair F.; David, Matthew

    2010-11-01

    Quasi-static tests are described for determination of the energy-absorption properties of composite crash energy-absorbing segment elements under axial loads. Detailed computer tomography scans of failed specimens were used to identify local compression crush failure mechanisms at the crush front. These mechanisms are important for selecting composite materials for energy-absorbing structures, such as helicopter and aircraft sub-floors. Finite element models of the failure processes are described that could be the basis for materials selection and future design procedures for crashworthy structures.

  19. Mechanical and materials engineering of modern structure and component design

    CERN Document Server

    Altenbach, Holm

    2015-01-01

    This book presents the latest findings on mechanical and materials engineering as applied to the design of modern engineering materials and components. The contributions cover the classical fields of mechanical, civil and materials engineering, as well as bioengineering and advanced materials processing and optimization. The materials and structures discussed can be categorized into modern steels, aluminium and titanium alloys, polymers/composite materials, biological and natural materials, material hybrids and modern nano-based materials. Analytical modelling, numerical simulation, state-of-the-art design tools and advanced experimental techniques are applied to characterize the materials’ performance and to design and optimize structures in different fields of engineering applications.

  20. Mechanical properties and impact behavior of a microcellular structural foam

    Directory of Open Access Journals (Sweden)

    M. Avalle

    Full Text Available Structural foams are a relatively new class of materials with peculiar characteristics that make them very attractive in some energy absorption applications. They are currently used for packaging to protect goods from damage during transportation in the case of accidental impacts. Structural foams, in fact, have sufficient mechanical strength even with reduced weight: the balance between the two antagonist requirements demonstrates that these materials are profitable. Structural foams are generally made of microcellular materials, obtained by polymers where voids at the microscopic level are created. Although the processing technologies and some of the material properties, including mechanical, are well known, very little is established for what concerns dynamic impact properties, for the design of energy absorbing components made of microcellular foams. The paper reports a number of experimental results, in different loading conditions and loading speed, which will be a basis for the structural modeling.

  1. Mechanical grading of structural timber and species conservation in ...

    African Journals Online (AJOL)

    The aim of the present work is to propose a non-destructive experimental approach, organizing the species of the Congo Basin in four; according to the likeness of their main mechanical properties, and is also to promote the subsistence of over-consumed species in our biodiversity. The assignment of a given specie to one ...

  2. Development of mechanical structure design technology for LMR

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Bong; Lee, Jae Han; Joo, Young Sang [and others

    2000-05-01

    In this project, fundamentals for conceptual design of mechanical structure system for LMR are independently established. The research contents are as follow; at first, conceptual design for SSC, design integration of interfaces, design consistency to keep functions and interfaces by developing arrangement of reactor system and 3 dimensional concept drawings, development and revision of preliminary design requirements and structural design basis, and evaluation of structural integrity for SSC following structural design criteria to check the conceptual design to be proper, at second, development of high temperature structure design and analysis technology and establishment of high temperature structural analysis codes and scheme, development of seismic isolation design concept to reduce seismic design loads to SCC and establishment of seismic analysis codes and scheme.

  3. Optimization of mechanical structures using particle swarm optimization

    Energy Technology Data Exchange (ETDEWEB)

    Leite, Victor C.; Schirru, Roberto, E-mail: victor.coppo.leite@lmp.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (LMP/PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Lab. de Monitoracao de Processos

    2015-07-01

    Several optimization problems are dealed with the particle swarm optimization (PSO) algorithm, there is a wide kind of optimization problems, it may be applications related to logistics or the reload of nuclear reactors. This paper discusses the use of the PSO in the treatment of problems related to mechanical structure optimization. The geometry and material characteristics of mechanical components are important for the proper functioning and performance of the systems were they are applied, particularly to the nuclear field. Calculations related to mechanical aspects are all made using ANSYS, while the PSO is programed in MATLAB. (author)

  4. Multifunctional Thermal Structures Using Cellular Contact-Aided Complaint Mechanisms

    Science.gov (United States)

    2016-10-31

    structure. Based on a finite element formulation and Solid Isotropic Material with Penalization (SIMP) interpolation for material properties...scheme for seeking specific values of the design variables. The objective function was the global mechanical / thermal compliance of the structure. A...Distribution approved for public release. 23 4.3.5 Topology optimization algorithm This section considers the minimization of the “thermal compliance

  5. Accelerated atherosclerosis in SLE: mechanisms and prevention approaches

    Science.gov (United States)

    Wilhelm, Ashley J.; Major, Amy S.

    2014-01-01

    Summary Systemic lupus erythematosus (SLE) is a multi-organ autoimmune disease characterized by increased serum autoantibody levels and tissue damage. With improved diagnosis and more effective treatment of the resultant kidney disease, accelerated atherosclerosis has become a major cause of morbidity in patients suffering from SLE. Although the exact mechanisms for SLE-accelerated atherosclerosis are unknown, multiple factors have been established as potential players in this process. Among these potential players are dysregulation of T and B cell populations and increased circulating levels of inflammatory cytokines. In addition, SLE patients exhibit a proatherogenic lipid profile characterized by low HDL and high LDL and triglycerides. Recent therapeutic approaches have focused on targeting B cells, the producers of autoantibodies, but most studies do not consider the effects of these treatments on atherosclerosis. Evidence suggests that T cells play a major role in SLE-accelerated atherosclerosis. Therefore, therapies targeted at T cells may also prove invaluable in treating SLE and atherosclerosis. PMID:24672580

  6. Salt Tolerance in Rice: Focus on Mechanisms and Approaches

    Directory of Open Access Journals (Sweden)

    Inja Naga Bheema Lingeswara Reddy

    2017-05-01

    Full Text Available Salt tolerance is an important constrain for rice, which is generally categorized as a typical glycophyte. Soil salinity is one of the major constraints affecting rice production worldwide, especially in the coastal areas. Susceptibility or tolerance of rice plants to high salinity is a coordinated action of multiple stress responsive genes, which also interacts with other components of stress signal transduction pathways. Salt tolerant varieties can be produced by marker-assisted selection or genetic engineering by introducing salt-tolerance genes. In this review, we have updated on mechanisms and genes which can help in transferring of the salt tolerance into high-yielding rice varieties. We have focused on the need for integrating phenotyping, genomics, metabolic profiling and phenomics into transgenic and breeding approaches to develop high-yielding as well as salt tolerant rice varieties.

  7. Structure-function relations in physiology education: Where's the mechanism?

    Science.gov (United States)

    Lira, Matthew E; Gardner, Stephanie M

    2017-06-01

    Physiology demands systems thinking: reasoning within and between levels of biological organization and across different organ systems. Many physiological mechanisms explain how structures and their properties interact at one level of organization to produce emergent functions at a higher level of organization. Current physiology principles, such as structure-function relations, selectively neglect mechanisms by not mentioning this term explicitly. We explored how students characterized mechanisms and functions to shed light on how students make sense of these terms. Students characterized mechanisms as 1 ) processes that occur at levels of organization lower than that of functions; and 2 ) as detailed events with many steps involved. We also found that students produced more variability in how they characterized functions compared with mechanisms: students characterized functions in relation to multiple levels of organization and multiple definitions. We interpret these results as evidence that students see mechanisms as holding a more narrow definition than used in the biological sciences, and that students struggle to coordinate and distinguish mechanisms from functions due to cognitive processes germane to learning in many domains. We offer the instructional suggestion that we scaffold student learning by affording students opportunities to relate and also distinguish between these terms so central to understanding physiology. Copyright © 2017 the American Physiological Society.

  8. Tolerance Analysis in Straight-Build Mechanical Assemblies Using a Probabilistic Approach-2D Assembly

    Directory of Open Access Journals (Sweden)

    Tanweer Hussain

    2013-04-01

    Full Text Available Product quality in mechanical assemblies is determined by the dispersion of manufacturing variance during the structure building. This paper focuses on straight-build assembly and proposes a probabilistic approach based on connective assembly model to analyze the effect of individual component variations on the eccentricity of the straight-build assembly. The probabilistic approach calculates the pdf (probability density function of key assembly variation of rotor assembly of high speed rotating machines. The probabilistic approach considers two straight-build scenarios: (i Best Build; and (ii Direct Build, for 2D (Two-Dimensional "axi-symmetric" assemblies. Numerical examples are presented to investigate the probabilistic approach for its efficiency and accuracy in comparison to MCS (Monte Carlo simulation.

  9. Virtuous organization: A structural equation modeling approach

    Directory of Open Access Journals (Sweden)

    Majid Zamahani

    2013-02-01

    Full Text Available For years, the idea of virtue was unfavorable among researchers and virtues were traditionally considered as culture-specific, relativistic and they were supposed to be associated with social conservatism, religious or moral dogmatism, and scientific irrelevance. Virtue and virtuousness have been recently considered seriously among organizational researchers. The proposed study of this paper examines the relationships between leadership, organizational culture, human resource, structure and processes, care for community and virtuous organization. Structural equation modeling is employed to investigate the effects of each variable on other components. The data used in this study consists of questionnaire responses from employees in Payam e Noor University in Yazd province. A total of 250 questionnaires were sent out and a total of 211 valid responses were received. Our results have revealed that all the five variables have positive and significant impacts on virtuous organization. Among the five variables, organizational culture has the most direct impact (0.80 and human resource has the most total impact (0.844 on virtuous organization.

  10. Systematic mechanism-orientated approach to chronic pancreatitis pain

    Science.gov (United States)

    Bouwense, Stefan AW; de Vries, Marjan; Schreuder, Luuk TW; Olesen, Søren S; Frøkjær, Jens B; Drewes, Asbjørn M; van Goor, Harry; Wilder-Smith, Oliver HG

    2015-01-01

    Pain in chronic pancreatitis (CP) shows similarities with other visceral pain syndromes (i.e., inflammatory bowel disease and esophagitis), which should thus be managed in a similar fashion. Typical causes of CP pain include increased intrapancreatic pressure, pancreatic inflammation and pancreatic/extrapancreatic complications. Unfortunately, CP pain continues to be a major clinical challenge. It is recognized that ongoing pain may induce altered central pain processing, e.g., central sensitization or pro-nociceptive pain modulation. When this is present conventional pain treatment targeting the nociceptive focus, e.g., opioid analgesia or surgical/endoscopic intervention, often fails even if technically successful. If central nervous system pain processing is altered, specific treatment targeting these changes should be instituted (e.g., gabapentinoids, ketamine or tricyclic antidepressants). Suitable tools are now available to make altered central processing visible, including quantitative sensory testing, electroencephalograpy and (functional) magnetic resonance imaging. These techniques are potentially clinically useful diagnostic tools to analyze central pain processing and thus define optimum management approaches for pain in CP and other visceral pain syndromes. The present review proposes a systematic mechanism-orientated approach to pain management in CP based on a holistic view of the mechanisms involved. Future research should address the circumstances under which central nervous system pain processing changes in CP, and how this is influenced by ongoing nociceptive input and therapies. Thus we hope to predict which patients are at risk for developing chronic pain or not responding to therapy, leading to improved treatment of chronic pain in CP and other visceral pain disorders. PMID:25574079

  11. Drug Hypersensitivity and Desensitizations: Mechanisms and New Approaches

    Directory of Open Access Journals (Sweden)

    Leticia de las Vecillas Sánchez

    2017-06-01

    Full Text Available Drug hypersensitivity reactions (HSRs are increasing in the 21st Century with the ever expanding availability of new therapeutic agents. Patients with cancer, chronic inflammatory diseases, cystic fibrosis, or diabetes can become allergic to their first line therapy after repeated exposures or through cross reactivity with environmental allergens. Avoidance of the offending allergenic drug may impact disease management, quality of life, and life expectancy. Precision medicine provides new tools for the understanding and management of hypersensitivity reactions (HSRs, as well as a personalized treatment approach for IgE (Immunoglobuline E and non-IgE mediated HSRs with drug desensitization (DS. DS induces a temporary hyporesponsive state by incremental escalation of sub-optimal doses of the offending drug. In vitro models have shown evidence that IgE desensitization is an antigen-specific process which blocks calcium flux, impacts antigen/IgE/FcεRI complex internalization and prevents the acute and late phase reactions as well as mast cell mediator release. Through a “bench to bedside” approach, in vitro desensitization models help elucidate the molecular pathways involved in DS, providing new insights to improved desensitization protocols for all patients. The aim of this review is to summarize up to date information on the drug HSRs, the IgE mediated mechanisms of desensitization, and their clinical applications.

  12. Failure Criterion for Brick Masonry: A Micro-Mechanics Approach

    Directory of Open Access Journals (Sweden)

    Kawa Marek

    2015-02-01

    Full Text Available The paper deals with the formulation of failure criterion for an in-plane loaded masonry. Using micro-mechanics approach the strength estimation for masonry microstructure with constituents obeying the Drucker-Prager criterion is determined numerically. The procedure invokes lower bound analysis: for assumed stress fields constructed within masonry periodic cell critical load is obtained as a solution of constrained optimization problem. The analysis is carried out for many different loading conditions at different orientations of bed joints. The performance of the approach is verified against solutions obtained for corresponding layered and block microstructures, which provides the upper and lower strength bounds for masonry microstructure, respectively. Subsequently, a phenomenological anisotropic strength criterion for masonry microstructure is proposed. The criterion has a form of conjunction of Jaeger critical plane condition and Tsai-Wu criterion. The model proposed is identified based on the fitting of numerical results obtained from the microstructural analysis. Identified criterion is then verified against results obtained for different loading orientations. It appears that strength of masonry microstructure can be satisfactorily described by the criterion proposed.

  13. Total-System Approach To Design And Analysis Of Structures

    Science.gov (United States)

    Verderaime, V.

    1995-01-01

    Paper presents overview and study of, and comprehensive approach to, multidisciplinary engineering design and analysis of structures. Emphasizes issues related to design of semistatic structures in environments in which spacecraft launched, underlying concepts applicable to other structures within unique terrestrial, marine, or flight environments. Purpose of study to understand interactions among traditionally separate engineering design disciplines with view toward optimizing not only structure but also overall design process.

  14. Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD)

    KAUST Repository

    Quitterer, Felix

    2013-05-29

    The final step in the biosynthesis of the 22nd genetically encoded amino acid, pyrrolysine, is catalyzed by PylD, a structurally and mechanistically unique dehydrogenase. This catalyzed reaction includes an induced-fit mechanism achieved by major structural rearrangements of the N-terminal helix upon substrate binding. Different steps of the reaction trajectory are visualized by complex structures of PylD with substrate and product. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. NGOs and CBOs Structures and Mechanism for Collaboration in ...

    African Journals Online (AJOL)

    This paper provides the structures and mechanisms for collaboration in technology generation, adaptation, dissemination and utilization with clear roles and responsibilities that NGOs and CBOs will play to improve the performance of agricultural extension delivery services in Nigeria. NGOs and CBOs services are usually ...

  16. Structural refinement and deformation mechanisms in nanostructured metals

    DEFF Research Database (Denmark)

    Lu, K.; Hansen, Niels

    2009-01-01

    Deformation mechanisms in metals deformed to ultrahigh strains are analyzed based on a general pattern of grain subdivision down to structural scales 10 nm. The materials analyzed are medium- to high-stacking fault energy face-centered cubic and body-centered cubic metals with different loading c...

  17. Office of Naval Research: Solid and Structural Mechanics

    DEFF Research Database (Denmark)

    Belytschenko, T.; Murphy, W.P.; Bernitsas, M.M.

    1997-01-01

    The goal of this report is to pursue a new paradigm for basic research in Solid and Structural Mechanics in order to serve the needs of the Navy of the 21st century. The framework for the report was established through meetings of the committee with Navy engineers and Office of Naval Research...

  18. Structure-Function Relations in Physiology Education: Where's the Mechanism?

    Science.gov (United States)

    Lira, Matthew E.; Gardner, Stephanie M.

    2017-01-01

    Physiology demands systems thinking: reasoning within and between levels of biological organization and across different organ systems. Many physiological mechanisms explain how structures and their properties interact at one level of organization to produce emergent functions at a higher level of organization. Current physiology principles, such…

  19. Lincosamides: Chemical structure, biosynthesis, mechanism of action, resistance, and applications

    Czech Academy of Sciences Publication Activity Database

    Spížek, Jaroslav; Řezanka, Tomáš

    2017-01-01

    Roč. 133, June 1 SI (2017), s. 20-28 ISSN 0006-2952 Institutional support: RVO:61388971 Keywords : Lincosamides * Chemical structure * Biosynthesis and mechanism of action Subject RIV: EE - Microbiology, Virology Impact factor: 4.581, year: 2016

  20. Passive vibration control: a structure-immittance approach

    Science.gov (United States)

    Zhang, Sara Ying; Jiang, Jason Zheng; Neild, Simon A.

    2017-05-01

    Linear passive vibration absorbers, such as tuned mass dampers, often contain springs, dampers and masses, although recently there has been a growing trend to employ or supplement the mass elements with inerters. When considering possible configurations with these elements broadly, two approaches are normally used: one structure-based and one immittance-based. Both approaches have their advantages and disadvantages. In this paper, a new approach is proposed: the structure-immittance approach. Using this approach, a full set of possible series-parallel networks with predetermined numbers of each element type can be represented by structural immittances, obtained via a proposed general formulation process. Using the structural immittances, both the ability to investigate a class of absorber possibilities together (advantage of the immittance-based approach), and the ability to control the complexity, topology and element values in resulting absorber configurations (advantages of the structure-based approach) are provided at the same time. The advantages of the proposed approach are demonstrated through two case studies on building vibration suppression and automotive suspension design, respectively.

  1. Models, simulation, and experimental issues in structural mechanics

    CERN Document Server

    Maceri, Franco; Vairo, Giuseppe

    2017-01-01

    The reader aware in Structural Mechanics will find in this book a source of fruitful knowledge and effective tools useful for imagining, creating, and promoting novel and challenging developments. It addresses a wide range of topics, such as mechanics and geotechnics, vibration and damping, damage and friction, experimental methods, and advanced structural materials. It also discusses analytical, experimental and numerical findings, focusing on theoretical and practical issues, and leading to innovations in the field. Collecting some of the latest results from the Lagrange Laboratory, a European scientific research group, mainly consisting of Italian and French engineers, mechanicians and mathematicians, the book presents the most recent example of the long-term scientific cooperation between well-established French and Italian Mechanics, Mathematics and Engineering Schools. .

  2. Structural and mechanical characterization of hybrid metallic-inorganic nanosprings

    Science.gov (United States)

    Habtoun, Sabrina; Houmadi, Said; Reig, Benjamin; Pouget, Emilie; Dedovets, Dmytro; Delville, Marie-Hélène; Oda, Reiko; Cristiano, Fuccio; Bergaud, Christian

    2017-10-01

    Silica nanosprings (NS) are fabricated by a sol–gel deposition of silica precursors onto a template made of self-assembled organic chiral nanostructures. They are deposited and assembled on microstructured silicon substrates, and then metallized and clamped in a single lithography-free step using a focused ion beam (FIB). The resulting suspended hybrid metallic/inorganic NS are then characterized with high-resolution transmission electron microscopy (HRTEM) and scanning TEM/energy-dispersive X-ray spectroscopy (STEM/EDX), showing the atomic structure of the metallic layer. Three-point bending tests are also carried out using an atomic force microscope (AFM) and supported by finite element method (FEM) simulation with COMSOL Multiphysics allowing the characterization of the mechanical behavior and the estimation of the stiffness of the resulting NS. The information obtained on the structural and mechanical properties of the NS is discussed for future nano-electro-mechanical system (NEMS) applications.

  3. Application of Niobium Low Carbon Low Alloy Structural Steel Approach

    Science.gov (United States)

    Jansto, Steven G.; Silvestre, Leonardo; Wang, Houxin

    Niobium Bearing Low Carbon Low Alloy (LCLA) value-added S355 structural steels reduces the overall material and construction costs for many high strength construction steel and heavy equipment applications. The recent development of the Nb-LCLA Approach is a value-added low cost approach for many structural steel applications including windtower supports, beams and other structural plate applications. Case examples are presented from Brazil, China and the USA. These Nb-bearing steels at lower carbon content compared to the traditional higher carbon normalize heat treated grades are more cost effective and reduce structural fabrication time through improved weldability as well.

  4. Self-structuring data learning approach

    Science.gov (United States)

    Ternovskiy, Igor; Graham, James; Carson, Daniel

    2016-05-01

    In this paper, we propose a hierarchical self-structuring learning algorithm based around the general principles of the Stanovich/Evans framework and "Quest" group definition of unexpected query. One of the main goals of our algorithm is for it to be capable of patterns learning and extrapolating more complex patterns from less complex ones. This pattern learning, influenced by goals, either learned or predetermined, should be able to detect and reconcile anomalous behaviors. One example of a proposed application of this algorithm would be traffic analysis. We choose this example, because it is conceptually easy to follow. Despite the fact that we are unlikely to develop superior traffic tracking techniques using our algorithm, a traffic based scenario remains a good starting point if only do to the easy availability of data and the number of other known techniques. In any case, in this scenario, the algorithm would observe and track all vehicular traffic in a particular area. After some initial time passes, it would begin detecting and learning the traffic's patters. Eventually the patterns would stabilize. At that point, "new" patterns could be considered anomalies, flagged, and handled accordingly. This is only one, particular application of our proposed algorithm. Ideally, we want to make it as general as possible, such that it can be applies to numerous different problems with varying types of sensory input and data types, such as IR, RF, visual, census data, meta data, etc.

  5. The hierarchical structure and mechanics of plant materials.

    Science.gov (United States)

    Gibson, Lorna J

    2012-11-07

    The cell walls in plants are made up of just four basic building blocks: cellulose (the main structural fibre of the plant kingdom) hemicellulose, lignin and pectin. Although the microstructure of plant cell walls varies in different types of plants, broadly speaking, cellulose fibres reinforce a matrix of hemicellulose and either pectin or lignin. The cellular structure of plants varies too, from the largely honeycomb-like cells of wood to the closed-cell, liquid-filled foam-like parenchyma cells of apples and potatoes and to composites of these two cellular structures, as in arborescent palm stems. The arrangement of the four basic building blocks in plant cell walls and the variations in cellular structure give rise to a remarkably wide range of mechanical properties: Young's modulus varies from 0.3 MPa in parenchyma to 30 GPa in the densest palm, while the compressive strength varies from 0.3 MPa in parenchyma to over 300 MPa in dense palm. The moduli and compressive strength of plant materials span this entire range. This study reviews the composition and microstructure of the cell wall as well as the cellular structure in three plant materials (wood, parenchyma and arborescent palm stems) to explain the wide range in mechanical properties in plants as well as their remarkable mechanical efficiency.

  6. The hierarchical structure and mechanics of plant materials

    Science.gov (United States)

    Gibson, Lorna J.

    2012-01-01

    The cell walls in plants are made up of just four basic building blocks: cellulose (the main structural fibre of the plant kingdom) hemicellulose, lignin and pectin. Although the microstructure of plant cell walls varies in different types of plants, broadly speaking, cellulose fibres reinforce a matrix of hemicellulose and either pectin or lignin. The cellular structure of plants varies too, from the largely honeycomb-like cells of wood to the closed-cell, liquid-filled foam-like parenchyma cells of apples and potatoes and to composites of these two cellular structures, as in arborescent palm stems. The arrangement of the four basic building blocks in plant cell walls and the variations in cellular structure give rise to a remarkably wide range of mechanical properties: Young's modulus varies from 0.3 MPa in parenchyma to 30 GPa in the densest palm, while the compressive strength varies from 0.3 MPa in parenchyma to over 300 MPa in dense palm. The moduli and compressive strength of plant materials span this entire range. This study reviews the composition and microstructure of the cell wall as well as the cellular structure in three plant materials (wood, parenchyma and arborescent palm stems) to explain the wide range in mechanical properties in plants as well as their remarkable mechanical efficiency. PMID:22874093

  7. A cyber-physical approach to experimental fluid mechanics

    Science.gov (United States)

    Mackowski, Andrew Williams

    This Thesis documents the design, implementation, and use of a novel type of experimental apparatus, termed Cyber-Physical Fluid Dynamics (CPFD). Unlike traditional fluid mechanics experiments, CPFD is a general-purpose technique that allows one to impose arbitrary forces on an object submerged in a fluid. By combining fluid mechanics with robotics, we can perform experiments that would otherwise be incredibly difficult or time-consuming. More generally, CPFD allows a high degree of automation and control of the experimental process, allowing for much more efficient use of experimental facilities. Examples of CPFD's capabilites include imposing a gravitational force in the horizontal direction (allowing a test object to "fall" sideways in a water channel), simulating nonlinear springs for a vibrating fluid-structure system, or allowing a self-propelled body to move forward under its own force. Because experimental parameters (including forces and even the mass of the test object) are defined in software, one can define entire ensembles of experiments to run autonomously. CPFD additionally integrates related systems such as water channel speed control, LDV flow speed measurements, and PIV flowfield measurements. The end result is a general-purpose experimental system that opens the door to a vast array of fluid-structure interaction problems. We begin by describing the design and implementation of CPFD, the heart of which is a high-performance force-feedback control system. Precise measurement of time-varying forces (including removing effects of the test object's inertia) is more critical here than in typical robotic force-feedback applications. CPFD is based on an integration of ideas from control theory, fluid dynamics, computer science, electrical engineering, and solid mechanics. We also describe experiments using the CPFD experimental apparatus to study vortex-induced vibration (VIV) and oscillating-airfoil propulsion. We show how CPFD can be used to simulate

  8. Structured ecosystem-scale approach to marine water quality management

    CSIR Research Space (South Africa)

    Taljaard, Susan

    2006-10-01

    Full Text Available and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in response to recent advances in policies...

  9. Classification of tropical montane shrub vegetation – a structural approach.

    OpenAIRE

    Paulsch, Axel; Czimczik, Claudia I

    2001-01-01

    The montane forests of the eastern part of the Ecuadorian Andes are considered as a hotspot of biodiversity threatened by human activity. Vegetation classification is a central part of ecosystem studies that estimate potential risks and rates of loss, and suggest conservation concepts. Classification can be approached on the basis of floristic or structural data. The present study reviews newer approaches that use a mix of floristic and structural features to characterise vegetation and highl...

  10. Motivational mechanisms underlying the approach bias to cigarettes

    NARCIS (Netherlands)

    Watson, P.; de Wit, S.; Cousijn, J.; Hommel, B.; Wiers, R.W.

    2013-01-01

    Approach Avoidance tasks measure approach bias, a behavioral tendency to be faster at approaching rather than avoiding drug cues. Approach bias has been measured in a number of different drug-using populations and there is evidence to suggest that approach bias measurements correlate with drug use.

  11. Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.

    Science.gov (United States)

    Zeng, Xiancheng; Hu, Hao; Hu, Xiangqian; Cohen, Aron J; Yang, Weitao

    2008-03-28

    Electron transfer (ET) reactions are one of the most important processes in chemistry and biology. Because of the quantum nature of the processes and the complicated roles of the solvent, theoretical study of ET processes is challenging. To simulate ET processes at the electronic level, we have developed an efficient density functional theory (DFT) quantum mechanical (QM)/molecular mechanical (MM) approach that uses the fractional number of electrons as the order parameter to calculate the redox free energy of ET reactions in solution. We applied this method to study the ET reactions of the aqueous metal complexes Fe(H(2)O)(6)(2+/3+) and Ru(H(2)O)(6)(2+/3+). The calculated oxidation potentials, 5.82 eV for Fe(II/III) and 5.14 eV for Ru(II/III), agree well with the experimental data, 5.50 and 4.96 eV, for iron and ruthenium, respectively. Furthermore, we have constructed the diabatic free energy surfaces from histogram analysis based on the molecular dynamics trajectories. The resulting reorganization energy and the diabatic activation energy also show good agreement with experimental data. Our calculations show that using the fractional number of electrons (FNE) as the order parameter in the thermodynamic integration process leads to efficient sampling and validate the ab initio QM/MM approach in the calculation of redox free energies.

  12. Pattern recognition approach to quantify the atomic structure of graphene

    DEFF Research Database (Denmark)

    Kling, Jens; Vestergaard, Jacob Schack; Dahl, Anders Bjorholm

    2014-01-01

    We report a pattern recognition approach to detect the atomic structure in high-resolution transmission electron microscopy images of graphene. The approach provides quantitative information such as carbon-carbon bond lengths and bond length variations on a global and local scale alike. © 2014...

  13. Evaluating Perry's Structured Approach for Professional Doctorate Theses

    Science.gov (United States)

    Charles, Michael; Farr-Wharton, Ben; von der Heidt, Tania; Sheldon, Neroli

    2017-01-01

    Purpose: The purpose of this paper is to investigate examiner reactions to doctorate of business administration (DBA) theses at an Australian university applying Perry's structured approach to thesis presentation, which had its origin in the marketing discipline, but is now widely applied to other business disciplines. Design/methodology/approach:…

  14. "Structured Discovery": A Modified Inquiry Approach to Teaching Social Studies.

    Science.gov (United States)

    Lordon, John

    1981-01-01

    Describes structured discovery approach to inquiry teaching which encourages the teacher to select instructional objectives, content, and questions to be answered. The focus is on individual and group activities. A brief outline using this approach to analyze Adolf Hitler is presented. (KC)

  15. Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation.

    Science.gov (United States)

    Seibert, Jakob; Bannwarth, Christoph; Grimme, Stefan

    2017-08-30

    A fully quantum mechanical (QM) treatment to calculate electronic absorption (UV-vis) and circular dichroism (CD) spectra of typical biomolecules with thousands of atoms is presented. With our highly efficient sTDA-xTB method, spectra averaged along structures from molecular dynamics (MD) simulations can be computed in a reasonable time frame on standard desktop computers. This way, nonequilibrium structure and conformational, as well as purely quantum mechanical effects like charge-transfer or exciton-coupling, are included. Different from other contemporary approaches, the entire system is treated quantum mechanically and neither fragmentation nor system-specific adjustment is necessary. Among the systems considered are a large DNA fragment, oligopeptides, and even entire proteins in an implicit solvent. We propose the method in tandem with experimental spectroscopy or X-ray studies for the elucidation of complex (bio)molecular structures including metallo-proteins like myoglobin.

  16. Decomposition Criterion-based Redundancy Removal in Mechanical Structures

    Directory of Open Access Journals (Sweden)

    A. N. Bozhko

    2014-01-01

    Full Text Available The most important design solutions of production engineering for the assembly operation are an assembly sequence and assembly chart. Both are closely linked with each other and therefore are recorded in the single process flow sheet that is an assembly chart.Capability for successive order assembling and splitting into assembly units depends on a set of the product design properties from which the main ones are position mechanical connections used to locate details within a product. An adequate mathematical model of the mechanical connections of technical system is a hyper graph. It allows us to give the correct description of the location relation of variable-locality.The analysis of the array of drawings shows that many designs contain redundant mechanical connections. The inequality is a criterion of redundancy, where |X| is the number of tops of the hyper graph (details, and |R| is the number of hyper edges (full assembly bases. Excess of mutual coordination is a harmful phenomenon which at designing stage exhibits as unsolvable dimension chains, while at the assembly stage it shows as relocation. Redundant connections should be removed from a design at the earliest design-for-manufacturing stages. Removal of connections generates mechanical structures with different assembly properties. The work offers some important criteria of generation of irredundant mechanical structures. The paper considers in detail a maximum decomposition criterion, which allows us to receive structures with the greatest capability to split into assembly units. It shows that such structures exhibit high flexibility in assembling and are adaptable to various specifications and production processes.

  17. Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach.

    Science.gov (United States)

    Liu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao

    2013-09-10

    Accurate computation of the pKa value of a compound in solution is important but challenging. Here, a new mixing quantum mechanical/molecular mechanical (QM/MM) Hamiltonian method is developed to simulate the free-energy change associated with the protonation/deprotonation processes in solution. The mixing Hamiltonian method is designed for efficient quantum mechanical free-energy simulations by alchemically varying the nuclear potential, i.e., the nuclear charge of the transforming nucleus. In pKa calculation, the charge on the proton is varied in fraction between 0 and 1, corresponding to the fully deprotonated and protonated states, respectively. Inspired by the mixing potential QM/MM free energy simulation method developed previously [H. Hu and W. T. Yang, J. Chem. Phys. 2005, 123, 041102], this method succeeds many advantages of a large class of λ-coupled free-energy simulation methods and the linear combination of atomic potential approach. Theory and technique details of this method, along with the calculation results of the pKa of methanol and methanethiol molecules in aqueous solution, are reported. The results show satisfactory agreement with the experimental data.

  18. Mechanical forces as information: an integrated approach to plant and animal development.

    Science.gov (United States)

    Hernández-Hernández, Valeria; Rueda, Denisse; Caballero, Lorena; Alvarez-Buylla, Elena R; Benítez, Mariana

    2014-01-01

    Mechanical forces such as tension and compression act throughout growth and development of multicellular organisms. These forces not only affect the size and shape of the cells and tissues but are capable of modifying the expression of genes and the localization of molecular components within the cell, in the plasma membrane, and in the plant cell wall. The magnitude and direction of these physical forces change with cellular and tissue properties such as elasticity. Thus, mechanical forces and the mesoscopic fields that emerge from their local action constitute important sources of positional information. Moreover, physical and biochemical processes interact in non-linear ways during tissue and organ growth in plants and animals. In this review we discuss how such mechanical forces are generated, transmitted, and sensed in these two lineages of multicellular organisms to yield long-range positional information. In order to do so we first outline a potentially common basis for studying patterning and mechanosensing that relies on the structural principle of tensegrity, and discuss how tensegral structures might arise in plants and animals. We then provide some examples of morphogenesis in which mechanical forces appear to act as positional information during development, offering a possible explanation for ubiquitous processes, such as the formation of periodic structures. Such examples, we argue, can be interpreted in terms of tensegral phenomena. Finally, we discuss the hypothesis of mechanically isotropic points as a potentially generic mechanism for the localization and maintenance of stem-cell niches in multicellular organisms. This comparative approach aims to help uncovering generic mechanisms of morphogenesis and thus reach a better understanding of the evolution and development of multicellular phenotypes, focusing on the role of physical forces in these processes.

  19. Mechanical forces as information: an integrated approach to plant and animal development

    Directory of Open Access Journals (Sweden)

    Valeria eHernández-Hernández

    2014-06-01

    Full Text Available Mechanical forces such as tension and compression act throughout growth and development of multicellular organisms. These forces not only affect the size and shape of the cells and tissues but are capable of modifying the expression of genes and the localization of molecular components within the cell, in the plasma membrane, and in the plant cell wall. The magnitude and direction of these physical forces change with cellular and tissue properties such as elasticity. Thus, mechanical forces and the mesoscopic fields that emerge from their local action constitute important sources of positional information. Moreover, physical and biochemical processes interact in non-linear ways during tissue and organ growth in plants and animals. In this review we discuss how such mechanical forces are generated, transmitted, and sensed in these two lineages of multicellular organisms to yield long-range positional information. In order to do so we first outline a potentially common basis for studying patterning and mechanosensing that relies on the structural principle of tensegrity, and discuss how tensegral structures might arise in plants and animals. We then provide some examples of morphogenesis in which mechanical forces appear to act as positional information during development, offering a possible explanation for ubiquitous processes, such as the formation of periodic structures. Such examples, we argue, can be interpreted in terms of tensegral phenomena. Finally, we discuss the hypothesis of mechanically isotropic points as a potentially generic mechanism for the localization and maintenance of stem-cell niches in multicellular organisms. This comparative approach aims to help uncovering generic mechanisms of morphogenesis and thus reach a better understanding of the evolution and development of multicellular phenotypes, focusing on the role of physical forces in these processes.

  20. REGULARITIES AND MECHANISM OF FORMATION OF STRUCTURE OF THE MECHANICALLY ALLOYED COMPOSITIONS GROUND ON THE BASIS OF METAL SYSTEMS

    Directory of Open Access Journals (Sweden)

    F. G. Lovshenko

    2014-01-01

    Full Text Available Experimentally determined regularities and mechanism of formation of structure of the mechanically alloyed compositions foundations on the basis of the widely applied in mechanical engineering metals – iron, nickel, aluminum, copper are given. 

  1. Mechanical Behavior of Tough Hydrogels for Structural Applications

    OpenAIRE

    Illeperuma, Widusha Ruwangi Kaushalya

    2015-01-01

    Hydrogels are widely used in many commercial products including Jell-O, contact lenses, and superabsorbent diapers. In recent decades, hydrogels have been under intense development for biomedical applications, such as scaffolds in tissue engineering, carriers for drug delivery, and valves in microfluidic systems. But the scope is severely limited as conventional hydrogels are weak and brittle and are not very stretchable. This thesis investigates the approaches that enhance the mechanical pro...

  2. Non-linear finite element analysis in structural mechanics

    CERN Document Server

    Rust, Wilhelm

    2015-01-01

    This monograph describes the numerical analysis of non-linearities in structural mechanics, i.e. large rotations, large strain (geometric non-linearities), non-linear material behaviour, in particular elasto-plasticity as well as time-dependent behaviour, and contact. Based on that, the book treats stability problems and limit-load analyses, as well as non-linear equations of a large number of variables. Moreover, the author presents a wide range of problem sets and their solutions. The target audience primarily comprises advanced undergraduate and graduate students of mechanical and civil engineering, but the book may also be beneficial for practising engineers in industry.

  3. MECHANISM OF ORIGIN OF STRUCTURAL VIBRATIONS IN CONICAL ROLLER BEARINGS

    Directory of Open Access Journals (Sweden)

    V.І. Marchuk

    2014-09-01

    Full Text Available This paper investigates the mechanism of origin of structural, structural and technological defects of rollers. The technique for integrated indicator of vibration working surfaces of the rings to determine the level of life of the finished part to the operation as part of the bearing and predict the vibroacoustic characteristics of rolling bearings. It was established that technological defects cause low-frequency and high-frequency vibrations. The question about the extent to which it is necessary to strengthen the tolerances on the parameters of bearings on which vibration level is determined not errors bearing parts and their structural properties. Calculated values of the amplitudes vibroacceleration due to the rigidity of the bearing vibrations are so small that in some cases adopted precision calculations turned enough to detect such vibrations. Thus, when tested on the vibro-acoustic installations structural vibration does not play an important role.

  4. Relationships among the structural topology, bond strength, and mechanical properties of single-walled aluminosilicate nanotubes

    Science.gov (United States)

    Liou, Kai-Hsin; Tsou, Nien-Ti; Kang, Dun-Yen

    2015-10-01

    Carbon nanotubes (CNTs) are regarded as small but strong due to their nanoscale microstructure and high mechanical strength (Young's modulus exceeds 1000 GPa). A longstanding question has been whether there exist other nanotube materials with mechanical properties as good as those of CNTs. In this study, we investigated the mechanical properties of single-walled aluminosilicate nanotubes (AlSiNTs) using a multiscale computational method and then conducted a comparison with single-walled carbon nanotubes (SWCNTs). By comparing the potential energy estimated from molecular and macroscopic material mechanics, we were able to model the chemical bonds as beam elements for the nanoscale continuum modeling. This method allowed for simulated mechanical tests (tensile, bending, and torsion) with minimum computational resources for deducing their Young's modulus and shear modulus. The proposed approach also enabled the creation of hypothetical nanotubes to elucidate the relative contributions of bond strength and nanotube structural topology to overall nanotube mechanical strength. Our results indicated that it is the structural topology rather than bond strength that dominates the mechanical properties of the nanotubes. Finally, we investigated the relationship between the structural topology and the mechanical properties by analyzing the von Mises stress distribution in the nanotubes. The proposed methodology proved effective in rationalizing differences in the mechanical properties of AlSiNTs and SWCNTs. Furthermore, this approach could be applied to the exploration of new high-strength nanotube materials.Carbon nanotubes (CNTs) are regarded as small but strong due to their nanoscale microstructure and high mechanical strength (Young's modulus exceeds 1000 GPa). A longstanding question has been whether there exist other nanotube materials with mechanical properties as good as those of CNTs. In this study, we investigated the mechanical properties of single

  5. Dynamics and mechanism of structural diffusion in linear hydrogen bond.

    Science.gov (United States)

    Chaiwongwattana, Sermsiri; Phonyiem, Mayuree; Vchirawongkwin, Viwat; Prueksaaroon, Supakit; Sagarik, Kritsana

    2012-01-15

    Dynamics and mechanism of proton transfer in a protonated hydrogen bond (H-bond) chain were studied, using the CH(3)OH(2)(+)(CH(3)OH)(n) complexes, n = 1-4, as model systems. The present investigations used B3LYP/TZVP calculations and Born-Oppenheimer MD (BOMD) simulations at 350 K to obtain characteristic H-bond structures, energetic and IR spectra of the transferring protons in the gas phase and continuum liquid. The static and dynamic results were compared with the H(3)O(+)(H(2)O)(n) and CH(3)OH(2)(+)(H(2)O)(n) complexes, n = 1-4. It was found that the H-bond chains with n = 1 and 3 represent the most active intermediate states and the CH(3)OH(2)(+)(CH(3)OH)(n) complexes possess the lowest threshold frequency of proton transfer. The IR spectra obtained from BOMD simulations revealed that the thermal energy fluctuation and dynamics help promote proton transfer in the shared-proton structure with n = 3 by lowering the vibrational energy for the interconversion between the oscillatory shuttling and structural diffusion motions, leading to a higher population of the structural diffusion motion than in the shared-proton structure with n = 1. Additional explanation on the previously proposed mechanisms was introduced, with the emphases on the energetic of the transferring proton, the fluctuation of the number of the CH(3)OH molecules in the H-bond chain, and the quasi-dynamic equilibriums between the shared-proton structure (n = 3) and the close-contact structures (n ≥ 4). The latter prohibits proton transfer reaction in the H-bond chain from being concerted, since the rate of the structural diffusion depends upon the lifetime of the shared-proton intermediate state. Copyright © 2011 Wiley Periodicals, Inc.

  6. An overview of studies in structural mechanics; Panorama des etudes en mecanique des structures

    Energy Technology Data Exchange (ETDEWEB)

    Guilbaud, D.; Blay, N.; Broc, D.; Chaudat, T.; Feau, C.; Sollogoub, P.; Wang, F.; Baj, F.; Bung, H.; Combescure, D.; Lepareux, M.; Phalippou, C.; Bentejac, F.; Hourdequin, N.; Laporte, T.; Millard, A.; Nicolas, L.; Chapuliot, S.; Fissolo, A.; Gourdin, C.; Kayser, Y.; Marie, S.; Reytier, M.; Yuritzinn, T.; Magnaud, J.P. [CEA Saclay Dept. Modelisation de Systemes et Structures, 91 - Gif sur Yvette (France); Braillard, O.; Collard, B.; Gobillot, G.; Mori, V.; Vallory, J.; Pascal-Ribot, S.; Pluyette, E. [CEA Saclay, Dept. de Technologie Nucleaire, 91 - Gif sur Yvette (France); Berton, M.N.; Cabrillat, M.T.; Lejeail, Y. [CEA Saclay, Dept. d' Etudes des Reacteurs, 91 - Gif sur Yvette (France)

    2006-07-01

    The present report gives an overview of the ongoing research programmes in structural mechanics at CEA/DEN. On the whole, these contributions are well representative of the research work performed, more oriented by engineering concerns than driven by pure academic goals. Fundamentally, the developed knowledge results in new methods and improved engineering and computational tools that can be used for CEA needs and transferred to industrial clients and partners. Basic research is carried out with the help of university laboratories, what allows CEA teams to identify the underlying problems and to address them in an adequate manner. Confrontation with other viewpoints and backgrounds takes place in international cooperative actions conducted with academic or industrial research centres, often giving rise to benchmarks. Due to the wide range of problems submitted to CEA/DEN, the R and D topics are numerous and the effort devoted to each of them is limited and sometimes not continuous. Basic research is of course more limited and needs thorough preparation in order to ensure that the key questions, which lock the progress, are really addressed.. Before to end, it is worth mentioning two original research actions which have begun: -) identification of medium state and representation of its variability by a probabilistic approach: this original approach couples inverse method an probability to obtain non directly measurable value from global effect on structures (for example deduce damage from the displacement of a loaded beam) and should be applied to non destructive identification of present state of nuclear reactor enclosures, -) a program of numerical simulations of fluid-elastic instability of a tube bundle submitted to cross flow has been initiated with an Arbitrary Lagrangian Eulerian -ALE- finite element method to obtain a better knowledge and understanding of the phenomenon. From these simulations, the evolutions of pressure and velocity fields close to fluid

  7. On the Mechanical Behavior of Advanced Composite Material Structures

    Science.gov (United States)

    Vinson, Jack

    During the period between 1993 and 2004, the author, as well as some colleagues and graduate students, had the honor to be supported by the Office of Naval Research to conduct research in several aspects of the behavior of structures composed of composite materials. The topics involved in this research program were numerous, but all contributed to increasing the understanding of how various structures that are useful for marine applications behaved. More specifically, the research topics focused on the reaction of structures that were made of fiber reinforced polymer matrix composites when subjected to various loads and environmental conditions. This included the behavior of beam, plate/panel and shell structures. It involved studies that are applicable to fiberglass, graphite/carbon and Kevlar fibers imbedded in epoxy, polyester and other polymeric matrices. Unidirectional, cross-ply, angle ply, and woven composites were involved, both in laminated, monocoque as well as in sandwich constructions. Mid-plane symmetric as well as asymmetric laminates were studied, the latter involving bending-stretching coupling and other couplings that only can be achieved with advanced composite materials. The composite structures studied involved static loads, dynamic loading, shock loading as well as thermal and hygrothermal environments. One major consideration was determining the mechanical properties of composite materials subjected to high strain rates because the mechanical properties vary so significantly as the strain rate increases. A considerable number of references are cited for further reading and study for those interested.

  8. Coffee melanoidins: structures, mechanisms of formation and potential health impacts.

    Science.gov (United States)

    Moreira, Ana S P; Nunes, Fernando M; Domingues, M Rosário; Coimbra, Manuel A

    2012-09-01

    During the roasting process, coffee bean components undergo structural changes leading to the formation of melanoidins, which are defined as high molecular weight nitrogenous and brown-colored compounds. As coffee brew is one of the main sources of melanoidins in the human diet, their health implications are of great interest. In fact, several biological activities, such as antioxidant, antimicrobial, anticariogenic, anti-inflammatory, antihypertensive, and antiglycative activities, have been attributed to coffee melanoidins. To understand the potential of coffee melanoidin health benefits, it is essential to know their chemical structures. The studies undertaken to date dealing with the structural characterization of coffee melanoidins have shown that polysaccharides, proteins, and chlorogenic acids are involved in coffee melanoidin formation. However, exact structures of coffee melanoidins and mechanisms involved in their formation are far to be elucidated. This paper systematizes the available information and provides a critical overview of the knowledge obtained so far about the structure of coffee melanoidins, mechanisms of their formation, and their potential health implications.

  9. Quantum mechanics meets cognitive science: explanatory vs descriptive approaches

    NARCIS (Netherlands)

    Blutner, R.

    2010-01-01

    We reflect on several aspects of the general claim that a quantum-like approach to Cognitive Science is advantageous over classical approaches. The classical approaches refer to the symbolic approaches including models using a classical (Kolmogorov) probability calculus. The general claim seems to

  10. Towards practical multiscale approach for analysis of reinforced concrete structures

    Science.gov (United States)

    Moyeda, Arturo; Fish, Jacob

    2017-12-01

    We present a novel multiscale approach for analysis of reinforced concrete structural elements that overcomes two major hurdles in utilization of multiscale technologies in practice: (1) coupling between material and structural scales due to consideration of large representative volume elements (RVE), and (2) computational complexity of solving complex nonlinear multiscale problems. The former is accomplished using a variant of computational continua framework that accounts for sizeable reinforced concrete RVEs by adjusting the location of quadrature points. The latter is accomplished by means of reduced order homogenization customized for structural elements. The proposed multiscale approach has been verified against direct numerical simulations and validated against experimental results.

  11. Meta-analysis a structural equation modeling approach

    CERN Document Server

    Cheung, Mike W-L

    2015-01-01

    Presents a novel approach to conducting meta-analysis using structural equation modeling. Structural equation modeling (SEM) and meta-analysis are two powerful statistical methods in the educational, social, behavioral, and medical sciences. They are often treated as two unrelated topics in the literature. This book presents a unified framework on analyzing meta-analytic data within the SEM framework, and illustrates how to conduct meta-analysis using the metaSEM package in the R statistical environment. Meta-Analysis: A Structural Equation Modeling Approach begins by introducing the impo

  12. The Structure, Functions, and Mechanical Properties of Keratin

    Science.gov (United States)

    McKittrick, J.; Chen, P.-Y.; Bodde, S. G.; Yang, W.; Novitskaya, E. E.; Meyers, M. A.

    2012-04-01

    Keratin is one of the most important structural proteins in nature and is widely found in the integument in vertebrates. It is classified into two types: α-helices and β-pleated sheets. Keratinized materials can be considered as fiber-reinforced composites consisting of crystalline intermediate filaments embedded in an amorphous protein matrix. They have a wide variety of morphologies and properties depending on different functions. Here, we review selected keratin-based materials, such as skin, hair, wool, quill, horn, hoof, feather, and beak, focusing on the structure-mechanical property-function relationships and finally give some insights on bioinspired composite design based on keratinized materials.

  13. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.

    2000-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need...... to the Operational Modal Analysis. For Operational Modal Analysis two different estimation techniques are used: a non-parametric technique based on Frequency Domain Decomposition (FDD), and a parametric technique working on the raw data in time domain, a data driven Stochastic Subspace Identification (SSI) algorithm....... These are compared to other methods such as traditional Modal Analysis....

  14. Structural genomics: the ultimate approach for rational drug design.

    Science.gov (United States)

    Lundstrom, Kenneth

    2006-10-01

    Structural genomics can be defined as structural biology on a large number of target proteins in parallel. This approach plays an important role in modern structure-based drug design. Although a number of structural genomics initiatives have been initiated, relatively few are associated with integral membrane proteins. This indicates the difficulties in expression, purification, and crystallization of membrane proteins, which has also been confirmed by the existence of some 100 high-resolution structures of membrane proteins among the more than 30,000 entries in public databases. Paradoxically, membrane proteins represent 60-70% of current drug targets and structural knowledge could both improve and speed up the drug discovery process. In order to improve the success rate for structure resolution of membrane proteins structural genomics networks have been established.

  15. Structure factor for an icosahedral quasicrystal within a statistical approach.

    Science.gov (United States)

    Strzalka, Radoslaw; Buganski, Ireneusz; Wolny, Janusz

    2015-05-01

    This paper describes a detailed derivation of a structural model for an icosahedral quasicrystal based on a primitive icosahedral tiling (three-dimensional Penrose tiling) within a statistical approach. The average unit cell concept, where all calculations are performed in three-dimensional physical space, is used as an alternative to higher-dimensional analysis. Comprehensive analytical derivation of the structure factor for a primitive icosahedral lattice with monoatomic decoration (atoms placed in the nodes of the lattice only) presents in detail the idea of the statistical approach to icosahedral quasicrystal structure modelling and confirms its full agreement with the higher-dimensional description. The arbitrary decoration scheme is also discussed. The complete structure-factor formula for arbitrarily decorated icosahedral tiling is derived and its correctness is proved. This paper shows in detail the concept of a statistical approach applied to the problem of icosahedral quasicrystal modelling.

  16. The biology of 5-lipoxygenase: function, structure, and regulatory mechanisms.

    Science.gov (United States)

    Silverman, E S; Drazen, J M

    1999-01-01

    5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to leukotriene A4 (LTA4). The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. These events are the first committed reactions leading to the synthesis of all leukotrienes and play a critical role in controlling leukotriene production. 5-LO has evolved many complex structural features and regulatory mechanisms to allow it to fulfill this highly specialized role. The biology of 5-LO is reviewed here with an emphasis on enzymatic function, protein and gene structure, essential cofactors, and the many regulatory mechanisms controlling its expression.

  17. Membrane transport mechanism 3D structure and beyond

    CERN Document Server

    Ziegler, Christine

    2014-01-01

    This book provides a molecular view of membrane transport by means of numerous biochemical and biophysical techniques. The rapidly growing number of atomic structures of transporters in different conformations and the constant progress in bioinformatics have recently added deeper insights.   The unifying mechanism of energized solute transport across membranes is assumed to consist of the conformational cycling of a carrier protein to provide access to substrate binding sites from either side of a cellular membrane. Due to the central role of active membrane transport there is considerable interest in deciphering the principles of one of the most fundamental processes in nature: the alternating access mechanism.   This book brings together particularly significant structure-function studies on a variety of carrier systems from different transporter families: Glutamate symporters, LeuT-like fold transporters, MFS transporters and SMR (RND) exporters, as well as ABC-type importers.   The selected examples im...

  18. Impact of epigenetic mechanisms on therapeutic approaches of hemoglobinopathies.

    Science.gov (United States)

    Costa, Dario; Capuano, Maria; Sommese, Linda; Napoli, Claudio

    2015-08-01

    Hemoglobinopathies are inherited disorders characterized by anomalies of structure, function or production of globin chains. From conception to adulthood, the different expressions over time of the various globin chains depend on the activation/deactivation of different globin genes through methylation and chromatin remodeling processes. The most significant clinical disorders are β-thalassemia and sickle cell disease. The clinical management of these disorders engages regular blood transfusions. Another therapy is represented by allogeneic hematopoietic cells transplantation. There are several studies based on the innovative therapeutic strategies that involve some epigenetic mechanisms focused on the reactivation of γ-globin gene expression. The induction of fetal hemoglobin expression in adulthood is an effective therapy for these disorders. Particularly interesting are the recent data on miRNAs showing the interaction of these molecules with different transcription factors such as MYB, KLF, BCL11A and SOX6. The aim of this review was to report an update on the dynamic epigenetic modifications as targets for therapy in hemoglobinopathies. Copyright © 2015 Elsevier Inc. All rights reserved.

  19. Continuous Molecular Fields Approach Applied to Structure-Activity Modeling

    CERN Document Server

    Baskin, Igor I

    2013-01-01

    The Method of Continuous Molecular Fields is a universal approach to predict various properties of chemical compounds, in which molecules are represented by means of continuous fields (such as electrostatic, steric, electron density functions, etc). The essence of the proposed approach consists in performing statistical analysis of functional molecular data by means of joint application of kernel machine learning methods and special kernels which compare molecules by computing overlap integrals of their molecular fields. This approach is an alternative to traditional methods of building 3D structure-activity and structure-property models based on the use of fixed sets of molecular descriptors. The methodology of the approach is described in this chapter, followed by its application to building regression 3D-QSAR models and conducting virtual screening based on one-class classification models. The main directions of the further development of this approach are outlined at the end of the chapter.

  20. Parallel kinematic mechanisms for distributed actuation of future structures

    Science.gov (United States)

    Lai, G.; Plummer, A. R.; Cleaver, D. J.; Zhou, H.

    2016-09-01

    Future machines will require distributed actuation integrated with load-bearing structures, so that they are lighter, move faster, use less energy, and are more adaptable. Good examples are shape-changing aircraft wings which can adapt precisely to the ideal aerodynamic form for current flying conditions, and light but powerful robotic manipulators which can interact safely with human co-workers. A 'tensegrity structure' is a good candidate for this application due to its potentially excellent stiffness and strength-to-weight ratio and a multi-element structure into which actuators could be embedded. This paper presents results of an analysis of an example practical actuated tensegrity structure consisting of 3 ‘unit cells’. A numerical method is used to determine the stability of the structure with varying actuator length, showing how four actuators can be used to control movement in three degrees of freedom as well as simultaneously maintaining the structural pre-load. An experimental prototype has been built, in which 4 pneumatic artificial muscles (PAMs) are embedded in one unit cell. The PAMs are controlled antagonistically, by high speed switching of on-off valves, to achieve control of position and structure pre-load. Experimental and simulation results are presented, and future prospects for the approach are discussed.

  1. Experimental study on mechanical properties of aircraft honeycomb sandwich structures

    Directory of Open Access Journals (Sweden)

    Talebi Mazraehshahi H.

    2010-06-01

    Full Text Available Mechanical behaviour of sandwich panels under different conditions have been exprimentally studied in this research to increase the knowledge of aircraft sandwich panel structures and facilitate design criteria for aircraft structures. Tests were concentrated on the honeycomb sandwich structures under different loads including flexural, insert shear, flat wise tension and compression loads. Furthermore, effect of core density and face material on mechanical behavior of different samples were investigated and compared with analytical and FEM method. Effects of skin thickness on strength of honycomb sandwhich panels under shear pull out and moments have also been considerd in this study. According to this investigation, insert strength and flexural test under different load conditions is strongly affected by face thickness, but compression and tearoff (falt wise tensile properties of a sandwich panel depends on core material. The study concludes that the correlation between experimental results and the analytical predictions will enable the designer to predict the mechanical behaviour and strength of a sandwich beam; however, applied formula may lead engineers to unreliable results for shear modulus.

  2. Review of Mechanics and Applications of Auxetic Structures

    Directory of Open Access Journals (Sweden)

    Mariam Mir

    2014-01-01

    Full Text Available One of the important mechanical properties of materials is Poisson’s ratio, which is positive for most of the materials. However, certain materials exhibit “auxetic” properties; that is, they have a negative Poisson’s ratio. Thus auxetic and non-auxetic materials exhibit different deformation mechanisms. A specific microscopic structure in the auxetic materials is important for maintaining a negative Poisson’s ratio. Based on their distinct nature auxetic materials execute certain unique properties in contrast to other materials, which are reviewed in this paper. Thus auxetic materials have important applications in the biomedical field which are also a part of this review article. Many auxetic materials have been discovered, fabricated, and synthesized which differ on the basis of structure, scale and deformation mechanism. The different types of auxetic materials such as auxetic cellular solids, microscopic auxetic polymers, molecular auxetic materials, and auxetic composites have been reviewed comprehensively in this paper. Modeling of auxetic structures is of considerable importance and needs appropriate stress strain configurations; thus different aspects of auxetic modeling have also been reviewed. Packing parameters and relative densities are of prime importance in this regard. This review would thus help the researchers in determining and deciding the various aspects of auxetic nature for their products.

  3. Growth Mechanism of a Unique Hierarchical Vaterite Structure

    Science.gov (United States)

    Ma, Guobin; Xu, Yifei; Wang, Mu

    2013-03-01

    Calcium carbonate is one of the most significant minerals in nature as well as in biogenic sources. Calcium carbonate occurs naturally in three crystalline polymorphs, i.e., calcite, aragonite, and vaterite. Although it has been attracted much research attention to understanding of the formation mechanisms of the material, the properties of the vaterite polymorph is not well known. Here we report synthesis and formation mechanism of a unique hierarchical structure of vaterite. The material is grown by a controlled diffusion method. The structure possesses a core and an outer part. The core is convex lens-like and is formed by vaterite nanocrystals that have small misorientations. The outer part is separated into six garlic clove-like segments. Each segment possesses piles of plate-like vaterite crystals, and the orientations of the plates continuously change from pile to pile. Based on real-time experimental results and the structural analysis, a growth mechanism is presented. Work supported by NSFC (Grant No. 51172104) and MOST of China (Grant No. 2101CB630705)

  4. A mechanism for the cortical computation of hierarchical linguistic structure.

    Directory of Open Access Journals (Sweden)

    Andrea E Martin

    2017-03-01

    Full Text Available Biological systems often detect species-specific signals in the environment. In humans, speech and language are species-specific signals of fundamental biological importance. To detect the linguistic signal, human brains must form hierarchical representations from a sequence of perceptual inputs distributed in time. What mechanism underlies this ability? One hypothesis is that the brain repurposed an available neurobiological mechanism when hierarchical linguistic representation became an efficient solution to a computational problem posed to the organism. Under such an account, a single mechanism must have the capacity to perform multiple, functionally related computations, e.g., detect the linguistic signal and perform other cognitive functions, while, ideally, oscillating like the human brain. We show that a computational model of analogy, built for an entirely different purpose-learning relational reasoning-processes sentences, represents their meaning, and, crucially, exhibits oscillatory activation patterns resembling cortical signals elicited by the same stimuli. Such redundancy in the cortical and machine signals is indicative of formal and mechanistic alignment between representational structure building and "cortical" oscillations. By inductive inference, this synergy suggests that the cortical signal reflects structure generation, just as the machine signal does. A single mechanism-using time to encode information across a layered network-generates the kind of (decompositional representational hierarchy that is crucial for human language and offers a mechanistic linking hypothesis between linguistic representation and cortical computation.

  5. New Structural Representation and Digital-Analysis Platform for Symmetrical Parallel Mechanisms

    Directory of Open Access Journals (Sweden)

    Wenao Cao

    2013-05-01

    Full Text Available Abstract An automatic design platform capable of automatic structural analysis, structural synthesis and the application of parallel mechanisms will be a great aid in the conceptual design of mechanisms, though up to now such a platform has only existed as an idea. The work in this paper constitutes part of such a platform. Based on the screw theory and a new structural representation method proposed here which builds a one-to-one correspondence between the strings of representative characters and the kinematic structures of symmetrical parallel mechanisms (SPMs, this paper develops a fully-automatic approach for mobility (degree-of-freedom analysis, and further establishes an automatic digital-analysis platform for SPMs. With this platform, users simply have to enter the strings of representative characters, and the kinematic structures of the SPMs will be generated and displayed automatically, and the mobility and its properties will also be analysed and displayed automatically. Typical examples are provided to show the effectiveness of the approach.

  6. Resolving structural uncertainty in natural resources management using POMDP approaches

    Science.gov (United States)

    Williams, B.K.

    2011-01-01

    In recent years there has been a growing focus on the uncertainties of natural resources management, and the importance of accounting for uncertainty in assessing management effectiveness. This paper focuses on uncertainty in resource management in terms of discrete-state Markov decision processes (MDP) under structural uncertainty and partial observability. It describes the treatment of structural uncertainty with approaches developed for partially observable resource systems. In particular, I show how value iteration for partially observable MDPs (POMDP) can be extended to structurally uncertain MDPs. A key difference between these process classes is that structurally uncertain MDPs require the tracking of system state as well as a probability structure for the structure uncertainty, whereas with POMDPs require only a probability structure for the observation uncertainty. The added complexity of the optimization problem under structural uncertainty is compensated by reduced dimensionality in the search for optimal strategy. A solution algorithm for structurally uncertain processes is outlined for a simple example in conservation biology. By building on the conceptual framework developed for POMDPs, natural resource analysts and decision makers who confront structural uncertainties in natural resources can take advantage of the rapid growth in POMDP methods and approaches, and thereby produce better conservation strategies over a larger class of resource problems. ?? 2011.

  7. Mobility power flow analysis of coupled plate structure subjected to mechanical and acoustic excitation

    Science.gov (United States)

    Cuschieri, J. M.

    1992-01-01

    The mobility power flow approach that was previously applied in the derivation of expressions for the vibrational power flow between coupled plate substructures forming an L configuration and subjected to mechanical loading is generalized. Using the generalized expressions, both point and distributed mechanical loads on one or both of the plates can be considered. The generalized approach is extended to deal with acoustic excitation of one of the plate substructures. In this case, the forces (acoustic pressures) acting on the structure are dependent on the response of the structure because of the scattered pressure component. The interaction between the plate structure and the acoustic fluid leads to the derivation of a corrected mode shape for the plates' normal surface velocity and also for the structure mobility functions. The determination of the scattered pressure components in the expressions for the power flow represents an additional component in the power flow balance for the source plate and the receiver plate. This component represents the radiated acoustical power from the plate structure. For a number of coupled plate substrates, the acoustic pressure generated by one substructure will interact with the motion of another substructure. That is, in the case of the L-shaped plate, acoustic interaction exists between the two plate substructures due to the generation of the acoustic waves by each of the substructures. An approach to deal with this phenomena is described.

  8. Structural approaches for prevention of sexually transmitted HIV in general populations: definitions and an operational approach.

    Science.gov (United States)

    Parkhurst, Justin O

    2014-01-01

    Although biomedical HIV prevention efforts have seen a number of recent promising developments, behavioural interventions have often been described as failing. However, clear lessons have been identified from past efforts, including the need to address influential social, economic and legal structures; to tailor efforts to local contexts; and to address multiple influencing factors in combination. Despite these insights, there remains a pervasive strategy to try to achieve sexual behaviour change through single, decontextualized, interventions or sets of activities. With current calls for structural approaches to HIV as part of combination HIV prevention, though, there is a unique opportunity to define a structural approach to HIV prevention as one which moves beyond these past limitations and better incorporates our knowledge of the social world and the lessons from past efforts. A range of interlinked concepts require delineation and definition within the broad concept of a structural approach to HIV. This includes distinguishing between "structural factors," which can be seen as any number of elements (other than knowledge) which influence risk and vulnerability, and "structural drivers," which should be reserved for situations where an empirically established relationship to a target group is known. Operationalizing structural approaches similarly can take different paths, either working to alter structural drivers or alternatively working to build individual and community resilience to infection. A "structural diagnostic approach" is further defined as the process one undertakes to develop structural intervention strategies tailored to target groups. For three decades, the HIV prevention community has struggled to reduce the spread of HIV through sexual risk behaviours with limited success, but equally with limited engagement with the lessons that have been learned about the social realities shaping patterns of sexual practices. Future HIV prevention efforts

  9. THE APPROACH OF STRATEGY DEVELOPMENT COMPANY IN THE INTEGRATED STRUCTURE

    Directory of Open Access Journals (Sweden)

    T. V. Lutchenko

    2014-01-01

    Full Text Available Summary. The article analyzes existing approaches to forming the strategy independently operating companies with reduced scheme similar formation. Also shows a typical model of strategy development and implementation of such an enterprise. Analysis approaches showed that the greatest interest applies to enterprises within the integrated structure, is an approach from the perspective of school ranking as the most mature in terms of identifying profitable positions in relation to competitors. Also this approach in terms of methodology on the most significant experiences and potential, as well as streamlining the process of strategic thinking. In addition, it was found that the approach in terms of the school positioning to be supported by an approach from the perspective the school of cognitive , oriented toward the level of scientific knowledge. What is very important for the conditions of the Russian Federation, where the development strategy of the enterprise engaged in, as a rule, self-taught on the basis of its own structure of knowledge and experience gained. Such a combined approach to development strategies must be supplemented by a thorough analysis of resources and opportunities, as the parent company and other companies integrated structure as a competitive advantage, enterprises can get from the relationship between themselves and the parent company. The article provides a model for the development and implementation of the strategy of the enterprise included in the integrated structure, in accordance with the above approach with its description. The above research allows enterprises to take into account the complexity of entering into this structure, as well as to assess the benefits, which should be more than the costs associated with the entry.

  10. Mechanical and Microstructural Evaluation of DMAG Welding of Structural Steel

    Directory of Open Access Journals (Sweden)

    Tolga Mert

    2015-01-01

    Full Text Available Double channel torch, which allows concentric flow of two different shielding gases, was designed and manufactured in order to pursue double channel torch gas metal arc welding of unalloyed structural steel S235JR (EN 10025-2 with fourteen passes. Tensile and Charpy V-notch tests were realized and the results were compared with those of conventional gas metal arc welding. In order to evaluate mechanical testing results, microstructural analyses were conducted. It was found that the increase with double channel gas metal arc welding process in yield and tensile strengths as well as in toughness tests, especially in subzero temperatures, compared with conventional gas metal arc welding was due to longer columnar grains and finer tempered zone grain structure between passes and due to solidification and less dendritic structure formation in all-weld metal in double channel gas metal arc welding.

  11. Load redistribution mechanism in damage tolerant and redundant truss structure

    DEFF Research Database (Denmark)

    Marhadi, Kun Saptohartyadi; Venkataraman, Satchi; Wong, Scott A.

    2011-01-01

    Structural optimization for damage tolerance under various unforeseen damage scenarios is computationally challenging. It couples non-linear progressive failure analysis with sampling based stochastic analysis of random damages. This work shows that analysis of damage tolerance depends on specifi......Structural optimization for damage tolerance under various unforeseen damage scenarios is computationally challenging. It couples non-linear progressive failure analysis with sampling based stochastic analysis of random damages. This work shows that analysis of damage tolerance depends...... on specification of damages, and optimizing a structure under one damage specification can be sensitive to other damages not considered. This work demonstrates the importance of understanding the underlying mechanics that provide damage tolerance in order to develop computationally efficient methods...

  12. Structural Mechanisms of Nucleosome Recognition by Linker Histones.

    Science.gov (United States)

    Zhou, Bing-Rui; Jiang, Jiansheng; Feng, Hanqiao; Ghirlando, Rodolfo; Xiao, T Sam; Bai, Yawen

    2015-08-20

    Linker histones bind to the nucleosome and regulate the structure of chromatin and gene expression. Despite more than three decades of effort, the structural basis of nucleosome recognition by linker histones remains elusive. Here, we report the crystal structure of the globular domain of chicken linker histone H5 in complex with the nucleosome at 3.5 Å resolution, which is validated using nuclear magnetic resonance spectroscopy. The globular domain sits on the dyad of the nucleosome and interacts with both DNA linkers. Our structure integrates results from mutation analyses and previous cross-linking and fluorescence recovery after photobleach experiments, and it helps resolve the long debate on structural mechanisms of nucleosome recognition by linker histones. The on-dyad binding mode of the H5 globular domain is different from the recently reported off-dyad binding mode of Drosophila linker histone H1. We demonstrate that linker histones with different binding modes could fold chromatin to form distinct higher-order structures. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. Elucidation of mechanism wear carbon steel with structure of martensite

    Directory of Open Access Journals (Sweden)

    I. A. Vakulenko

    2013-04-01

    Full Text Available Purpose. The purpose of the paper is an estimation of degree of metal hardness change for the railway wheel with martensite structure during rolling. Methodology. As strength characteristic the Rockwell hardness is used. Wear tests were conducted in the conditions of normal loading with (10% and without sliding on the test equipment SMTs-2. Parameters of the fine crystalline structure (tetragonality degree of the crystalline grid, dislocation density, scale of coherent scattering regions, and disturbance value of the crystalline grid of second kind are determined by the methods of X-ray structural analysis. Findings. During operation of the railway wheels with different strength level, origin of defects on the wheel thread is caused by simultaneous action of both the friction forces and the cyclically changing loadings. Considering that formation of damage centers is largely determined by the state of metal volumes near the wheel thread, one should expect the differences in friction processes development at high contact stress for the wheels with different strength level and structural state. Originality. During the wear tests softening effect of carbon steel with martensite quenching structure is obtained. Softening effect equaled 3.5–7% from the level of quenched metal hardness. The softening effect is accompanied by the reduction of tetragonality degree of the crystalline structure of martensite, reduction of coherent scattering regions, dislocation density increase and crystalline grid disturbance of the second kind. Practical value. The results point out the necessity for further studies to clarify the resulted softening effect mechanism.

  14. Evaluation of structural deformations of a mechanical connecting unit oxidizer supplies by thermo-mechanical simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sang Woo [Dept. of Mechanical Engineering, Institute of Machine Convergence Technology, Hankyong National University, Anseong (Korea, Republic of)

    2016-10-15

    A Mechanical connecting unit (MCU) used in ground facilities for a Liquid propellant rocket (LPR) acts as a bridge between the onboard system and the ground oxidizer filling system. It should be resistant to structural deformations in order to guarantee successful supply of a cryogenic oxidizer and high pressure gases without reduction of sealing capability. The MCU consists of many components and linkages and operates under harsh conditions induced by a cryogenic oxidizer, high pressure gases and other mechanical forces. Thus, the evaluation of structural deformation of the MCU considering complex conditions is expensive and time consuming. The present study efficiently evaluates the structural deformations of the key components of the MCU by Thermo-mechanical simulation (TMS) based on the superposition principle. Deformations due to the mechanical loadings including weights, pressures, and spring forces are firstly evaluated by using a non-linear flexible body simulation module (FFlex) of Multi-body dynamics (MBD) software, RecurDyn. Then, thermal deformations for the deformed geometries obtained by RecurDyn were subsequently calculated. It was conducted by using a Finite element (FE) analysis software, ANSYS. The total deformations for the onboard plate and multi-channel plate in the connecting section due to the mechanical and thermal loadings were successfully evaluated. Moreover, the outer gaps at six points between two plates were calculated and verified by comparison to the measured data. Their values and tendencies showed a good agreement. The author concluded that the TMS using MBD software considering flexible bodies and an FE simulator can efficiently evaluate structural deformations of the MCU operating under the complex load and boundary conditions.

  15. Micropatterned Azopolymer Surfaces Modulate Cell Mechanics and Cytoskeleton Structure.

    Science.gov (United States)

    Rianna, Carmela; Ventre, Maurizio; Cavalli, Silvia; Radmacher, Manfred; Netti, Paolo A

    2015-09-30

    Physical and chemical characteristics of materials are important regulators of cell behavior. In particular, cell elasticity is a fundamental parameter that reflects the state of a cell. Surface topography finely modulates cell fate and function via adhesion mediated signaling and cytoskeleton generated forces. However, how topographies alter cell mechanics is still unclear. In this work we have analyzed the mechanical properties of peripheral and nuclear regions of NIH-3T3 cells on azopolymer substrates with different topographic patterns. Micrometer scale patterns in the form of parallel ridges or square lattices of surface elevations were encoded on light responsive azopolymer films by means of contactless optical methods. Cell mechanics was investigated by atomic force microscopy (AFM). Cells and consequently the cell cytoskeleton were oriented along the linear patterns affecting cytoskeletal structures, e.g., formation of actin stress fibers. Our data demonstrate that topographic substrate patterns are recognized by cells and mechanical information is transferred by the cytoskeleton. Furthermore, cytoskeleton generated forces deform the nucleus, changing its morphology that appears to be related to different mechanical properties in the nuclear region.

  16. Mechanism and Structure of γ-Resorcylate Decarboxylase.

    Science.gov (United States)

    Sheng, Xiang; Patskovsky, Yury; Vladimirova, Anna; Bonanno, Jeffrey B; Almo, Steven C; Himo, Fahmi; Raushel, Frank M

    2018-01-19

    γ-Resorcylate decarboxylase (γ-RSD) has evolved to catalyze the reversible decarboxylation of 2,6-dihydroxybenzoate to resorcinol in a nonoxidative fashion. This enzyme is of significant interest because of its potential for the production of γ-resorcylate and other benzoic acid derivatives under environmentally sustainable conditions. Kinetic constants for the decarboxylation of 2,6-dihydroxybenzoate catalyzed by γ-RSD from Polaromonas sp. JS666 are reported, and the enzyme is shown to be active with 2,3-dihydroxybenzoate, 2,4,6-trihydroxybenzoate, and 2,6-dihydroxy-4-methylbenzoate. The three-dimensional structure of γ-RSD with the inhibitor 2-nitroresorcinol (2-NR) bound in the active site is reported. 2-NR is directly ligated to a Mn2+ bound in the active site, and the nitro substituent of the inhibitor is tilted significantly from the plane of the phenyl ring. The inhibitor exhibits a binding mode different from that of the substrate bound in the previously determined structure of γ-RSD from Rhizobium sp. MTP-10005. On the basis of the crystal structure of the enzyme from Polaromonas sp. JS666, complementary density functional calculations were performed to investigate the reaction mechanism. In the proposed reaction mechanism, γ-RSD binds 2,6-dihydroxybenzoate by direct coordination of the active site manganese ion to the carboxylate anion of the substrate and one of the adjacent phenolic oxygens. The enzyme subsequently catalyzes the transfer of a proton to C1 of γ-resorcylate prior to the actual decarboxylation step. The reaction mechanism proposed previously, based on the structure of γ-RSD from Rhizobium sp. MTP-10005, is shown to be associated with high energies and thus less likely to be correct.

  17. DEVELOPMENT OF THE STRUCTURAL MATRIX APPROACH IN ORGANIZATIONAL DIAGNOSTICS

    Directory of Open Access Journals (Sweden)

    Mishlanova Marina Yur'evna

    2012-07-01

    The proposed approach discloses private constituents of elements, communications, organizational layers, generalized characteristics of layers, and partial effects. This approach may be used to simulate a system of forces, items of pressure, and organizational problems. The most advanced state of stability and sustainable development is now provided with the structure within which the elements remain in certain natural interdependence (symmetry, or balance. Formation of this model is based on thorough diagnostics of an organization through the employment of the structural matrix approach and the audit of the following characteristics: labour efficiency, reliability and flexibility of communications, uniformity of distribution of communications and their coordination, connectivity of elements and layers with account for their impact, degree of freedom of elements, layers and the system as a whole, reliability, rigidity, adaptability, stability of the organizational structure.

  18. Shell and membrane theories in mechanics and biology from macro- to nanoscale structures

    CERN Document Server

    Mikhasev, Gennadi

    2015-01-01

    This book presents the latest results related to shells  characterize and design shells, plates, membranes and other thin-walled structures, a multidisciplinary approach from macro- to nanoscale is required which involves the classical disciplines of mechanical/civil/materials engineering (design, analysis, and properties) and physics/biology/medicine among others. The book contains contributions of a meeting of specialists (mechanical engineers, mathematicians, physicists and others) in such areas as classical and non-classical shell theories. New trends with respect to applications in mechanical, civil and aero-space engineering, as well as in new branches like medicine and biology are presented which demand improvements of the theoretical foundations of these theories and a deeper understanding of the material behavior used in such structures.

  19. Residual Generation for the Ship Benchmark Using Structural Approach

    DEFF Research Database (Denmark)

    Cocquempot, V.; Izadi-Zamanabadi, Roozbeh; Staroswiecki, M

    1998-01-01

    The prime objective of Fault-tolerant Control (FTC) systems is to handle faults and discrepancies using appropriate accommodation policies. The issue of obtaining information about various parameters and signals, which have to be monitored for fault detection purposes, becomes a rigorous task...... with the growing number of subsystems. The structural approach, presented in this paper, constitutes a general framework for providing information when the system becomes complex. The methodology of this approach is illustrated on the ship propulsion benchmark....

  20. Residual Generation for the Ship Benchmark Using Structural Approach

    DEFF Research Database (Denmark)

    Cocquempot, V.; Izadi-Zamanabadi, Roozbeh; Staroswiecki, M

    1998-01-01

    The prime objective of Fault-tolerant Control (FTC) systems is to handle faults and discrepancies using appropriate accommodation policies. The issue of obtaining information about various parameters and signals, which have to be monitored for fault detection purposes, becomes a rigorous task wit...... with the growing number of subsystems. The structural approach, presented in this paper, constitutes a general framework for providing information when the system becomes complex. The methodology of this approach is illustrated on the ship propulsion benchmark....

  1. Technology development for cryogenic deployable telescope structures and mechanisms

    Science.gov (United States)

    Atkinson, Charles B.; Gilman, Larry; Reynolds, Paul

    2003-12-01

    At 6-7 meters in diameter, the James Webb Space Telescope (JWST) will require structures that remain stable to levels that are on the order of 10 nanometers under dynamic and thermal loading while operating at cryogenic temperatures. Moreover, the JWST will be the first telescope in space that is deployed, resulting in an aperture that is not only segmented, but has hinge-lines and the associated joining systems or latches in it. In order to understand the behavior and reduce the risk associated with very large, deployed structures and the stability of the associated structure and latches, we developed and tested the largest cryogenic structure ever built and then characterized its stability. This paper presents a description of the design of the Development Optical Telescope Assembly (DOTA), the testing performed, and the results of the testing performed on it. We discuss the material selection and characterization processes, give a description of the test configurations, describe the metrology equipment and the validation process for it, provide the test results, and summarize the conclusions drawn from the results. The testing and associated results include characterization of the thermal stability of the large-scale structure, characterization of the micro-dynamic stability of the latching system, and measurements of the deployment capability of the mechanisms. We also describe how the DOTA design relates to the JWST design and how the test results relate to the JWST requirements.

  2. Mechanical modeling of the growth of salt structures

    Energy Technology Data Exchange (ETDEWEB)

    Alfaro, Ruben Alberto Mazariegos [Texas A & M Univ., College Station, TX (United States)

    1993-05-01

    A 2D numerical model for studying the morphology and history of salt structures by way of computer simulations is presented. The model is based on conservation laws for physical systems, a fluid marker equation to keep track of the salt/sediments interface, and two constitutive laws for rocksalt. When buoyancy alone is considered, the fluid-assisted diffusion model predicts evolution of salt structures 2.5 times faster than the power-law creep model. Both rheological laws predict strain rates of the order of 4.0 x 10-15 s-1 for similar structural maturity level of salt structures. Equivalent stresses and viscosities predicted by the fluid-assisted diffusion law are 102 times smaller than those predicted by the power-law creep rheology. Use of East Texas Basin sedimentation rates and power-law creep rheology indicate that differential loading is an effective mechanism to induce perturbations that amplify and evolve to mature salt structures, similar to those observed under natural geological conditions.

  3. A practical multiscale approach for optimization of structural damping

    DEFF Research Database (Denmark)

    Andreassen, Erik; Jensen, Jakob Søndergaard

    2016-01-01

    A simple and practical multiscale approach suitable for topology optimization of structural damping in a component ready for additive manufacturing is presented.The approach consists of two steps: First, the homogenized loss factor of a two-phase material is maximized. This is done in order...... to obtain a range of isotropic microstructures that have a connected stiff material phase. Second,the structural damping of the component is maximized using material interpolations based on the homogenized properties of the microstructures. In order to achieve convergence towards a discrete set of material...

  4. A physical approach to protein structure prediction: CASP4 results

    Energy Technology Data Exchange (ETDEWEB)

    Crivelli, Silvia; Eskow, Elizabeth; Bader, Brett; Lamberti, Vincent; Byrd, Richard; Schnabel, Robert; Head-Gordon, Teresa

    2001-02-27

    We describe our global optimization method called Stochastic Perturbation with Soft Constraints (SPSC), which uses information from known proteins to predict secondary structure, but not in the tertiary structure predictions or in generating the terms of the physics-based energy function. Our approach is also characterized by the use of an all atom energy function that includes a novel hydrophobic solvation function derived from experiments that shows promising ability for energy discrimination against misfolded structures. We present the results obtained using our SPSC method and energy function for blind prediction in the 4th Critical Assessment of Techniques for Protein Structure Prediction (CASP4) competition, and show that our approach is more effective on targets for which less information from known proteins is available. In fact our SPSC method produced the best prediction for one of the most difficult targets of the competition, a new fold protein of 240 amino acids.

  5. Making better scar: Emerging approaches for modifying mechanical and electrical properties following infarction and ablation.

    Science.gov (United States)

    Holmes, Jeffrey W; Laksman, Zachary; Gepstein, Lior

    2016-01-01

    Following myocardial infarction (MI), damaged myocytes are replaced by collagenous scar tissue, which serves an important mechanical function - maintaining integrity of the heart wall against enormous mechanical forces - but also disrupts electrical function as structural and electrical remodeling in the infarct and borderzone predispose to re-entry and ventricular tachycardia. Novel emerging regenerative approaches aim to replace this scar tissue with viable myocytes. Yet an alternative strategy of therapeutically modifying selected scar properties may also prove important, and in some cases may offer similar benefits with lower risk or regulatory complexity. Here, we review potential goals for such modifications as well as recent proof-of-concept studies employing specific modifications, including gene therapy to locally increase conduction velocity or prolong the refractory period in and around the infarct scar, and modification of scar anisotropy to improve regional mechanics and pump function. Another advantage of scar modification techniques is that they have applications well beyond MI. In particular, ablation treats electrical abnormalities of the heart by intentionally generating scar to block aberrant conduction pathways. Yet in diseases such as atrial fibrillation (AF) where ablation can be extensive, treating the electrical disorder can significantly impair mechanical function. Creating smaller, denser scars that more effectively block conduction, and choosing the location of those lesions by balancing their electrical and mechanical impacts, could significantly improve outcomes for AF patients. We review some recent advances in this area, including the use of computational models to predict the mechanical effects of specific lesion sets and gene therapy for functional ablation. Overall, emerging techniques for modifying scar properties represents a potentially important set of tools for improving patient outcomes across a range of heart diseases

  6. A pedestrian approach to the measurement problem in quantum mechanics

    Science.gov (United States)

    Boughn, Stephen; Reginatto, Marcel

    2013-09-01

    The quantum theory of measurement has been a matter of debate for over eighty years. Most of the discussion has focused on theoretical issues with the consequence that other aspects (such as the operational prescriptions that are an integral part of experimental physics) have been largely ignored. This has undoubtedly exacerbated attempts to find a solution to the "measurement problem". How the measurement problem is defined depends to some extent on how the theoretical concepts introduced by the theory are interpreted. In this paper, we fully embrace the minimalist statistical (ensemble) interpretation of quantum mechanics espoused by Einstein, Ballentine, and others. According to this interpretation, the quantum state description applies only to a statistical ensemble of similarly prepared systems rather than representing an individual system. Thus, the statistical interpretation obviates the need to entertain reduction of the state vector, one of the primary dilemmas of the measurement problem. The other major aspect of the measurement problem, the necessity of describing measurements in terms of classical concepts that lay outside of quantum theory, remains. A consistent formalism for interacting quantum and classical systems, like the one based on ensembles on configuration space that we refer to in this paper, might seem to eliminate this facet of the measurement problem; however, we argue that the ultimate interface with experiments is described by operational prescriptions and not in terms of the concepts of classical theory. There is no doubt that attempts to address the measurement problem have yielded important advances in fundamental physics; however, it is also very clear that the measurement problem is still far from being resolved. The pedestrian approach presented here suggests that this state of affairs is in part the result of searching for a theoretical/mathematical solution to what is fundamentally an experimental/observational question. It

  7. Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel

    1998-01-01

    We have simulated the mechanical deformation of atomic-scale metallic contacts under tensile strain using molecular dynamics and effective medium theory potentials. The evolution of the structure of the contacts and the underlying deformation mechanisms are described along with the calculated...... electronic conductance. Various defects such as intersecting stacking faults, local disorder, and vacancies are created during the deformation. Disordered regions act as weak spots that reduce the strength of the contacts. The disorder tends to anneal out again during the subsequent atomic rearrangements......, but vacancies can be permanently present. The transition states and energies for slip mechanisms have been determined using the nudged elastic band method, and we find a size-dependent crossover from a dislocation-mediated slip to a homogeneous slip when the contact diameter becomes less than a few nm. We show...

  8. A clustering approach for structural health monitoring on bridges

    OpenAIRE

    Diez Oliván, Alberto; Dang Khoa, Nguyen Lu; Makki Alamdari, Mehrisadat; Wang, Yang; Chen, Fang; Runcie, Peter

    2016-01-01

    Structural health monitoring is a process for identifying damage in civil infrastructures using sensing system. It has been increasingly employed due to advances in sensing technologies and data analytic using machine learning. A common problem within this scenario is that limited data of real structural faults are available. Therefore, unsupervised and novelty detection machine learning methods must be employed. This work presents a clustering based approach to group substructures or joints ...

  9. Structural characterization and mechanical properties of polypropylene reinforced natural fibers

    Science.gov (United States)

    Karim, M. A. A.; Zaman, I.; Rozlan, S. A. M.; Berhanuddin, N. I. C.; Manshoor, B.; Mustapha, M. S.; Khalid, A.; Chan, S. W.

    2017-10-01

    Recently the development of natural fiber composite instead of synthetics fiber has lead to eco-friendly product manufacturing to meet various applications in the field of automotive, construction and manufacturing. The use of natural fibers offer an alternative to the reinforcing fibers because of their good mechanical properties, low density, renewability, and biodegradability. In this present research, the effects of maleic anhydride polypropylene (MAPP) on the mechanical properties and material characterization behaviour of kenaf fiber and coir fiber reinforced polypropylene were investigated. Different fractions of composites with 10wt%, 20wt% and 30wt% fiber content were prepared by using brabender mixer at 190°C. The 3wt% MAPP was added during the mixing. The composites were subsequently molded with injection molding to prepare the test specimens. The mechanical properties of the samples were investigated according to ISO 527 to determine the tensile strength and modulus. These results were also confirmed by the SEM machine observations of fracture surface of composites and FTIR analysis of the chemical structure. As the results, the presence of MAPP helps increasing the mechanical properties of both fibers and 30wt% kenaf fiber with 3wt% MAPP gives the best result compare to others.

  10. Control mechanism of double-rotator-structure ternary optical computer

    Science.gov (United States)

    Kai, SONG; Liping, YAN

    2017-03-01

    Double-rotator-structure ternary optical processor (DRSTOP) has two characteristics, namely, giant data-bits parallel computing and reconfigurable processor, which can handle thousands of data bits in parallel, and can run much faster than computers and other optical computer systems so far. In order to put DRSTOP into practical application, this paper established a series of methods, namely, task classification method, data-bits allocation method, control information generation method, control information formatting and sending method, and decoded results obtaining method and so on. These methods form the control mechanism of DRSTOP. This control mechanism makes DRSTOP become an automated computing platform. Compared with the traditional calculation tools, DRSTOP computing platform can ease the contradiction between high energy consumption and big data computing due to greatly reducing the cost of communications and I/O. Finally, the paper designed a set of experiments for DRSTOP control mechanism to verify its feasibility and correctness. Experimental results showed that the control mechanism is correct, feasible and efficient.

  11. Fatigue Life Assessment of Structures Using Electro-Mechanical Impedance Technique

    Science.gov (United States)

    Bhalla, S.

    2012-05-01

    This paper describes a new experimental approach for fatigue life assessment of structures based on the equivalent stiffness determined by surface bonded piezo-impedance transducers through the electro-mechanical impedance (EMI) technique. The remaining life of the component (in terms of the cycles of loading that can be sustained) is non-dimensionally correlated with the equivalent identified stiffness. The proposed approach circumvents the determination of the absolute stiffness of the joint and employs the admittance signature of the surface-bonded piezo-transducers directly. The second part of the paper briefly describes the recent advances made in the field of impedance based structural health monitoring (SHM) in terms of low-cost hardware system and improved damage diagnosis through the integration of global dynamic and EMI techniques using the same set of piezo-sensors. Other recent applications such as bio-sensors and traffic sensors pioneered at the Smart Structures and Dynamics Laboratory (SSDL) are also briefly covered.

  12. Neuroimaging mechanisms of change in psychotherapy for addictive behaviors: emerging translational approaches that bridge biology and behavior.

    Science.gov (United States)

    Feldstein Ewing, Sarah W; Chung, Tammy

    2013-06-01

    Research on mechanisms of behavior change provides an innovative method to improve treatment for addictive behaviors. An important extension of mechanisms of change research involves the use of translational approaches, which examine how basic biological (i.e., brain-based mechanisms) and behavioral factors interact in initiating and sustaining positive behavior change as a result of psychotherapy. Articles in this special issue include integrative conceptual reviews and innovative empirical research on brain-based mechanisms that may underlie risk for addictive behaviors and response to psychotherapy from adolescence through adulthood. Review articles discuss hypothesized mechanisms of change for cognitive and behavioral therapies, mindfulness-based interventions, and neuroeconomic approaches. Empirical articles cover a range of addictive behaviors, including use of alcohol, cigarettes, marijuana, cocaine, and pathological gambling and represent a variety of imaging approaches including fMRI, magneto-encephalography, real-time fMRI, and diffusion tensor imaging. Additionally, a few empirical studies directly examine brain-based mechanisms of change, whereas others examine brain-based indicators as predictors of treatment outcome. Finally, two commentaries discuss craving as a core feature of addiction, and the importance of a developmental approach to examining mechanisms of change. Ultimately, translational research on mechanisms of behavior change holds promise for increasing understanding of how psychotherapy may modify brain structure and functioning and facilitate the initiation and maintenance of positive treatment outcomes for addictive behaviors. 2013 APA, all rights reserved

  13. Recent Advances in the Structural Mechanisms of DNA Glycosylases

    Science.gov (United States)

    Brooks, Sonja C.; Adhikary, Suraj; Rubinson, Emily H.; Eichman, Brandt F.

    2012-01-01

    DNA glycosylases safeguard the genome by locating and excising a diverse array of aberrant nucleobases created from oxidation, alkylation, and deamination of DNA. Since the discovery 28 years ago that these enzymes employ a base flipping mechanism to trap their substrates, six different protein architectures have been identified to perform the same basic task. Work over the past several years has unraveled details for how the various DNA glycosylases survey DNA, detect damage within the duplex, select for the correct modification, and catalyze base excision. Here, we provide a broad overview of these latest advances in glycosylase mechanisms gleaned from structural enzymology, highlighting features common to all glycosylases as well as key differences that define their particular substrate specificities. PMID:23076011

  14. COMPARISON OF THE TRADITIONAL STRENGTH OF MATERIALS APPROACH TO DESIGN WITH THE FRACTURE MECHANICS APPROACH

    Energy Technology Data Exchange (ETDEWEB)

    Z. Ceylan

    2002-04-30

    The objective of this activity is to show that the use of the traditional strength of materials approach to the drip shield and the waste package (WP) designs is bounding and appropriate when compared to the fracture mechanics approach. The scope of this activity is limited to determining the failure assessment diagrams for the two materials at issue: Ti-7 and Alloy 22. This calculation is intended for use in support of the license application design of the drip shield and the WP. This activity is associated with the drip shield and the WP designs. The activity evaluation for work package number P32 12234F2, included in ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 1, p. A-6), has determined that the development of this document is subject to ''Quality Assurance Requirements and Description'' requirements. The control of the electronic management of data is accomplished in accordance with the methods specified in Reference 1, Section 10. AP-3.124, ''Design Calculations and Analysis'' (Ref. 2), is used to develop and document the calculation.

  15. Structural Evolution and Mechanisms of Fatigue in Polycrystalline Brass

    DEFF Research Database (Denmark)

    Carstensen, Jesper Vejlø

    planar and wavy slip. The mechanical and structural behaviour observed in brass resembles recent observations in 316L austenitic stainless steels, and the present results reveal that Cu-30%Zn and 316L have approximately the same fatigue life curve. This empha-sizes brass as being a convenient model...... further developed to account for the ob-served intergranular damage evolution on Cu-30%Zn. With these modifications the model pre-dicts the fatigue life curve of Cu-30%Zn and 316L....

  16. Mechanical and structural properties of sputtered Ni/Ti multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Senthil Kumar, M.; Boeni, P.; Tixier, S.; Clemens, D.; Horisberger, M. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    Ni/Ti bilayers have been prepared by dc-magnetron sputtering in order to study their mechanical and structural properties. A remarkable reduction of stress is observed when the Ni layers are sputtered reactively in argon with a high partial pressure of air. The high angle x-ray diffraction studies show a tendency towards amorphisation of the Ni layers with increasing air flow. The low angle measurements indicate a substantial reduction of interdiffusion resulting in smoother interfaces with increasing air content. (author) 2 figs., 2 refs.

  17. Detecting the community structure in complex networks based on quantum mechanics

    Science.gov (United States)

    Niu, Yan Qing; Hu, Bao Qing; Zhang, Wen; Wang, Min

    2008-10-01

    In this paper, we develop a novel method to detect the community structure in complex networks. This approach is based on the combination of kernel-based clustering using quantum mechanics, the spectral clustering technique and the concept of the Bayesian information criterion. We test the proposed algorithm on Zachary’s karate club network and the world of American college football. Experimental results indicate that our algorithm is efficient and effective at finding both the optimal number of clusters, and the best clustering of community structures.

  18. Stable and emergent network topologies : A structural approach

    NARCIS (Netherlands)

    Herman Monsuur

    2007-01-01

    Economic, social and military networks have at least one thing in common: they change over time. For various reasons, nodes form and terminate links, thereby rearranging the network. In this paper, we present a structural network mechanism that formalizes a possible incentive that guides nodes in

  19. Mechanical and structural properties of YOYO-1 complexed DNA.

    Science.gov (United States)

    Günther, Katrin; Mertig, Michael; Seidel, Ralf

    2010-10-01

    YOYO-1 is a fluorescent dye widely used for probing the statistical-mechanical properties of DNA. However, currently contradicting data exist how YOYO-1 binding alters the DNA structure and rigidity. Here, we systematically address this problem using magnetic tweezers. Remarkably, we find that the persistence length of DNA remains constant independent of the amount of bound YOYO-1, which contrasts previous assumptions. While the ionic conditions can considerably alter the stability of YOYO-1 binding, the DNA bending rigidity seems not to be affected. We furthermore determine important structural parameters such as the binding site size, the elongation, as well as the untwisting angle per bound YOYO-1 molecule. We expect that our assay, in which all the parameters are determined within a single experiment, will be beneficial for a large range of other DNA binding drugs.

  20. Gelled Complex Fluids: Combining Unique Structures with Mechanical Stability.

    Science.gov (United States)

    Stubenrauch, Cosima; Gießelmann, Frank

    2016-03-01

    Gelled complex fluids are soft materials in which the microstructure of the complex fluid is combined with the mechanical stability of a gel. To obtain a gelled complex fluid one either adds a gelator to a complex fluid or replaces the solvent in a gel by a complex fluid. The most prominent example of a "natural" gelled complex fluid is the cell. There are various strategies by which one can form a gelled complex fluid; one such strategy is orthogonal self-assembly, that is, the independent but simultaneous formation of two coexisting self-assembled structures within one system. The aim of this Review is to describe the structure and potential applications of various man-made gelled complex fluids and to clarify whether or not the respective system is formed by orthogonal self-assembly. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Mechanical and structural properties of YOYO-1 complexed DNA

    Science.gov (United States)

    Günther, Katrin; Mertig, Michael; Seidel, Ralf

    2010-01-01

    YOYO-1 is a fluorescent dye widely used for probing the statistical–mechanical properties of DNA. However, currently contradicting data exist how YOYO-1 binding alters the DNA structure and rigidity. Here, we systematically address this problem using magnetic tweezers. Remarkably, we find that the persistence length of DNA remains constant independent of the amount of bound YOYO-1, which contrasts previous assumptions. While the ionic conditions can considerably alter the stability of YOYO-1 binding, the DNA bending rigidity seems not to be affected. We furthermore determine important structural parameters such as the binding site size, the elongation, as well as the untwisting angle per bound YOYO-1 molecule. We expect that our assay, in which all the parameters are determined within a single experiment, will be beneficial for a large range of other DNA binding drugs. PMID:20511588

  2. Generation mechanisms of fundamental rogue wave spatial-temporal structure.

    Science.gov (United States)

    Ling, Liming; Zhao, Li-Chen; Yang, Zhan-Ying; Guo, Boling

    2017-08-01

    We discuss the generation mechanism of fundamental rogue wave structures in N-component coupled systems, based on analytical solutions of the nonlinear Schrödinger equation and modulational instability analysis. Our analysis discloses that the pattern of a fundamental rogue wave is determined by the evolution energy and growth rate of the resonant perturbation that is responsible for forming the rogue wave. This finding allows one to predict the rogue wave pattern without the need to solve the N-component coupled nonlinear Schrödinger equation. Furthermore, our results show that N-component coupled nonlinear Schrödinger systems may possess N different fundamental rogue wave patterns at most. These results can be extended to evaluate the type and number of fundamental rogue wave structure in other coupled nonlinear systems.

  3. Development status of M-V rocket structures and mechanisms

    Science.gov (United States)

    Onoda, Junjiro; Minesugi, Kenji; Watanabe, Naoyuki

    M-V is the next generation satellite launcher of the Mu rocket series of Institute of Space and Astronautical Science (ISAS). This paper describes the plan and the status of the development of its structure and mechanisms. The performance of the motor casings for the solid propellant rockets, which are the largest structural members in each stage, will be much improved by the introduction of new materials and new fabrication methods. For the nose-faring made of honeycomb sandwich shells with carbon fiber reinforced plastic (CFRP) face sheet, a new separation joint is being developed, which is composed of an expanding shielded mild detonating cord. A unique inter-stage joint between the 1st and 2nd stages is being developed in order to accommodate to the fire-in-the-hole (FITH) ignition of the 2nd stage rocket motor.

  4. Orbital approach to the electronic structure of solids

    CERN Document Server

    Canadell, Enric; Iung, Christophe

    2012-01-01

    This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

  5. Distance matrix-based approach to protein structure prediction.

    Science.gov (United States)

    Kloczkowski, Andrzej; Jernigan, Robert L; Wu, Zhijun; Song, Guang; Yang, Lei; Kolinski, Andrzej; Pokarowski, Piotr

    2009-03-01

    Much structural information is encoded in the internal distances; a distance matrix-based approach can be used to predict protein structure and dynamics, and for structural refinement. Our approach is based on the square distance matrix D = [r(ij)(2)] containing all square distances between residues in proteins. This distance matrix contains more information than the contact matrix C, that has elements of either 0 or 1 depending on whether the distance r (ij) is greater or less than a cutoff value r (cutoff). We have performed spectral decomposition of the distance matrices D = sigma lambda(k)V(k)V(kT), in terms of eigenvalues lambda kappa and the corresponding eigenvectors v kappa and found that it contains at most five nonzero terms. A dominant eigenvector is proportional to r (2)--the square distance of points from the center of mass, with the next three being the principal components of the system of points. By predicting r (2) from the sequence we can approximate a distance matrix of a protein with an expected RMSD value of about 7.3 A, and by combining it with the prediction of the first principal component we can improve this approximation to 4.0 A. We can also explain the role of hydrophobic interactions for the protein structure, because r is highly correlated with the hydrophobic profile of the sequence. Moreover, r is highly correlated with several sequence profiles which are useful in protein structure prediction, such as contact number, the residue-wise contact order (RWCO) or mean square fluctuations (i.e. crystallographic temperature factors). We have also shown that the next three components are related to spatial directionality of the secondary structure elements, and they may be also predicted from the sequence, improving overall structure prediction. We have also shown that the large number of available HIV-1 protease structures provides a remarkable sampling of conformations, which can be viewed as direct structural information about the

  6. Phase space picture of quantum mechanics group theoretical approach

    CERN Document Server

    Kim, Y S

    1991-01-01

    This book covers the theory and applications of the Wigner phase space distribution function and its symmetry properties. The book explains why the phase space picture of quantum mechanics is needed, in addition to the conventional Schrödinger or Heisenberg picture. It is shown that the uncertainty relation can be represented more accurately in this picture. In addition, the phase space picture is shown to be the natural representation of quantum mechanics for modern optics and relativistic quantum mechanics of extended objects.

  7. THE PSYCHOLEXICAL APPROACH TO THE STRUCTURE OF INTERPERSONAL TRAITS

    NARCIS (Netherlands)

    De Raad, B.

    In this study the structure of interpersonal behaviour is investigated following the principles of the so-called psycholexical approach. The interpersonal trait descriptors are selected from a comprehensive set of 1203 trait descriptive adjectives, constructed by Brokken (1978). Self-ratings and

  8. Needsfinding in living labs : A structured research approach

    NARCIS (Netherlands)

    Savelkoul, L.E.M.; Peutz, M.

    Living labs enable innovations to be facilitated and implemented quickly and efficiently. A key element of the living lab approach is the active involvement of users. In this article, we examine a structured needsfinding phase of a living lab infrastructure project within the context of bicycle

  9. A structured ecosystem-scale approach to marine water quality ...

    African Journals Online (AJOL)

    These, in turn, created the need for holistic and integrated frameworks within which to design and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in ...

  10. A Structural Approach and Deployment of a Substation Automation System

    Energy Technology Data Exchange (ETDEWEB)

    You, Jeong Sik; Lee, Kwon Han; Choi, Dae Hee; Choi, Yong Bum; Lee, Hak Sung [Hyosung Corporation (Korea)

    2001-07-01

    This paper describes the definition of a substation automation system and presents core components and its layered structure based on the modular approach. Also it introduces the implementation and deployment of our substation automation system which was adopted to the field recently. (author). 2 refs., 5 figs., 1 tab.

  11. Organisational Structure: Essential in Making Mechanisms Process Management

    Directory of Open Access Journals (Sweden)

    Domnica Doina Parcalabu

    2011-05-01

    Full Text Available Although public management is a new field of management science, there are already convinced that the extension of specific principles and approaches, there is only a relative matter, but becomes animperative necessity, which determines the coordinates of the major public sector reform. Otherwise, there is increased risk of slipping into formalism, changing some general understandings and essential to thedetriment of the fundamental, meeting new public management. As a consequence, it is absolutely necessary to waive the perception and treatment of the old administrative system, public institutions in general and inparticular as bureaucratic administrative apparatus that develop rules, regulations and laws by which they are applied and the transition to new principles and regularities of public management, the administrative systemas a whole and each public institution by public managers seek an given level of managerial performance, reflected in increasing general public interest and satisfaction of specific social needs. To this we highlightthe organizational analysis and design of technology-specific organizational structure of public institutions, structures of communication within public institutions, participatory decision-making structures that are mostefficient and effective types of organizations based on structures - pyramidal and hierarchical organizations network-type organizations.

  12. On Mechanism, Process and Polity: An Agent-Based Modeling and Simulation Approach

    Directory of Open Access Journals (Sweden)

    Camelia Florela Voinea

    2014-07-01

    Full Text Available The present approach provides a theoretical account of political culture-based modeling of political change phenomena. Our approach is an agent-based simulation model inspired by a social-psychological account of the relation between the individual agents (citizens and the polity. It includes political culture as a fundamental modeling dimension. On this background, we reconsider the operational definitions of agent, mechanism, process, and polity so as to specify the role they play in the modeling of political change phenomena. We evaluate our previous experimental simulation experience in corruption emergence and political attitude change. The paper approaches the artificial polity as a political culture-based model of a body politic. It involves political culture concepts to account for the complexity of domestic political phenomena, going from political attitude change at the individual level up to major political change at the societal level. Architecture, structure, unit of interaction, generative mechanisms and processes are described. Both conceptual and experimental issues are described so as to highlight the differences between the simulation models of society and polity.

  13. On Mechanism, Process and Polity: An Agent-Based Modeling and Simulation Approach

    Directory of Open Access Journals (Sweden)

    Voinea, Camelia Florela

    2014-07-01

    Full Text Available The present approach provides a theoretical account of political culture-based modeling of political change phenomena. Our approach is an agent-based simulation model inspired by a social-psychological account of the relation between the individual agents (citizens and the polity. It includes political culture as a fundamental modeling dimension. On this background, we reconsider the operational definitions of agent, mechanism, process, and polity so as to specify the role they play in the modeling of political change phenomena. We evaluate our previous experimental simulation experience in corruption emergence and political attitude change. The paper approaches the artificial polity as a political culture-based model of a body politic. It involves political culture concepts to account for the complexity of domestic political phenomena, going from political attitude change at the individual level up to major political change at the societal level. Architecture, structure, unit of interaction, generative mechanisms and processes are described. Both conceptual and experimental issues are described so as to highlight the differences between the simulation models of society and polity.  

  14. Basic flight mechanics a simple approach without equations

    CERN Document Server

    Tewari, Ashish

    2016-01-01

    This book presents flight mechanics of aircraft, spacecraft, and rockets to technical and non-technical readers in simple terms and based purely on physical principles. Adapting an accessible and lucid writing style, the book retains the scientific authority and conceptual substance of an engineering textbook without requiring a background in physics or engineering mathematics. Professor Tewari explains relevant physical principles of flight by straightforward examples and meticulous diagrams and figures. Important aspects of both atmospheric and space flight mechanics are covered, including performance, stability and control, aeroelasticity, orbital mechanics, and altitude control. The book describes airplanes, gliders, rotary wing and flapping wing flight vehicles, rockets, and spacecraft and visualizes the essential principles using detailed illustration. It is an ideal resource for managers and technicians in the aerospace industry without engineering degrees, pilots, and anyone interested in the mechanic...

  15. Determination of parameters for the damage mechanics approach to ductile fracture based on a single fracture mechanics test

    NARCIS (Netherlands)

    Coppejans, O.J.; Walters, C.L.

    2017-01-01

    The local approach to modelling ductile tearing is a useful technique to give insight into fracture mechanics. However, applications of the local approach have been stymied by the high cost of finding the parameters that characterize it because of the number of specimens and expensive

  16. A Systems Engineering Approach to Electro-Mechanical Actuator Diagnostic and Prognostic Development

    Data.gov (United States)

    National Aeronautics and Space Administration — The authors have formulated a Comprehensive Systems Engineering approach to Electro-Mechanical Actuator (EMA) Prognostics and Health Management (PHM) system...

  17. Structural mechanism of GPCR-arrestin interaction: recent breakthroughs.

    Science.gov (United States)

    Park, Ji Young; Lee, Su Youn; Kim, Hee Ryung; Seo, Min-Duk; Chung, Ka Young

    2016-03-01

    G protein-coupled receptors (GPCRs) are a major membrane receptor family with important physiological and pathological functions. In the classical signaling pathway, ligand-activated GPCRs couple to G proteins, thereby inducing G protein-dependent signaling pathways and phosphorylation by G protein-coupled receptor kinases (GRKs). This leads to an interaction with arrestins, which results in GPCR desensitization. Recently, non-classical GPCR signaling pathways, mediated by GPCR-bound arrestins, have been identified. Consequently, arrestins play important roles in GPCR signaling not only with respect to desensitization but also in relation to G protein-independent signal transduction. These findings have led to efforts to develop functionally biased (i.e. signal transduction biased) GPCR-targeting drugs. One of these efforts is aimed at understanding the structural mechanism of functionally biased GPCR signaling, which includes understanding the G protein-selectivity or arrestin-selectivity of GPCRs. This goal has not yet been achieved; however, great progress has been made during the last 3 years toward understanding the structural mechanism of GPCR-mediated arrestin activation. This review will discuss the recent breakthroughs in the conformational understanding of GPCR-arrestin interaction.

  18. The structure and mechanics of Moso bamboo material.

    Science.gov (United States)

    Dixon, P G; Gibson, L J

    2014-10-06

    Although bamboo has been used structurally for millennia, there is currently increasing interest in the development of renewable and sustainable structural bamboo products (SBPs). These SBPs are analogous to wood products such as plywood, oriented strand board and glue-laminated wood. In this study, the properties of natural Moso bamboo (Phyllostachys pubescens) are investigated to further enable the processing and design of SBPs. The radial and longitudinal density gradients in bamboo give rise to variations in the mechanical properties. Here, we measure the flexural properties of Moso bamboo in the axial direction, along with the compressive strengths in the axial and transverse directions. Based on the microstructural variations (observed with scanning electron microscopy) and extrapolated solid cell wall properties of bamboo, we develop models, which describe the experimental results well. Compared to common North American construction woods loaded along the axial direction, Moso bamboo is approximately as stiff and substantially stronger, in both flexure and compression but denser. This work contributes to critical knowledge surrounding the microstructure and mechanical properties of bamboo, which are vital to the engineering and design of sustainable SBPs. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  19. Quantum mechanical quantitative structure-activity relationships to avoid mutagenicity.

    Science.gov (United States)

    Holder, Andrew J; Ye, Lin

    2009-01-01

    The purpose of this work is to develop a quantum mechanically based quantitative structure-activity relationship (QMQSAR or QSAR hereafter) adequate to predict and explain Ames TA100-derived mutagenicities for a number of organic molecules. A set of 35 structurally similar molecules with epoxide (oxirane) functionalities and systematic, reliable experimental data were selected to construct a QSAR model. The SAM1 quantum mechanical method was used to perform conformational analysis and properties calculations. This QM information was used to compute a variety of descriptors. From this a two-descriptor regression model was constructed. The two descriptors are ESP-HACA-1/TMSA and HOMO-LUMO energy gap. Statistical results for the model: R(2)=0.857, R(adj)(2)=0.818,R(cv)(2)=0.848,s(2)=0.0618. The variance inflation factor and significance for both descriptors were 1.082 and design of non-mutagenic monomers that may be useful for dental restorative composites. The model also serves as a screening tool for rating the mutagenicity of new candidate materials.

  20. Active control of nonlinear aseismic structures: MRAC approach

    Science.gov (United States)

    Zou, Yin Sheng; Zou, Xiang; Wang, Jian Ping

    1996-05-01

    The responses of structures under seismic conditions present very high nonlinearity due to both the parameter variations of the structures and the nonlinearities of the forces induced by ground motions. On the other hand, an adaptive controller (stabilizer) can adjust itself continuously to the changes in the system. Therefore, this paper examines the applicability of the adaptive controller to the nonlinear seismic structures so as to enable us to design economic and attractive structures which can successfully withstand the earthquake loading. The approach to the desired active control employs model reference adaptive control (MRAC) technique. Initial parameters of the system, which are mass matrix, damping matrix and stiffness matrix, are identified using off-line algorithms. An adaptive controller is, then, introduced to change the system characteristics of the target structure so that the responses of the controlled structure, under seismic conditions, will follow the expected ideal responses which are the output of a reference model. The reference model is constructed according to the specifications on the performance requirements of structures under earthquake excitation. It is shown that the MRAC technique can be applied to solve the active control problem of nonlinear seismic responses of structures in an effective and efficient fashion. The controller proposed demonstrates rational self-tuning capability to the random changes of earthquake excitation as well as to the time-varying property of nonlinear seismic structures under strong- motion earthquake. The theoretical results obtained are illustrated and verified with numerical examples.

  1. Heterogeneous structure and surface tension effects on mechanical response in pulmonary acinus: A finite element analysis.

    Science.gov (United States)

    Koshiyama, Kenichiro; Nishimoto, Keisuke; Ii, Satoshi; Sera, Toshihiro; Wada, Shigeo

    2018-01-20

    The pulmonary acinus is a dead-end microstructure that consists of ducts and alveoli. High-resolution micro-CT imaging has recently provided detailed anatomical information of a complete in vivo acinus, but relating its mechanical response with its detailed acinar structure remains challenging. This study aimed to investigate the mechanical response of acinar tissue in a whole acinus for static inflation using computational approaches. We performed finite element analysis of a whole acinus for static inflation. The acinar structure model was generated based on micro-CT images of an intact acinus. A continuum mechanics model of the lung parenchyma was used for acinar tissue material model, and surface tension effects were explicitly included. An anisotropic mechanical field analysis based on a stretch tensor was combined with a curvature-based local structure analysis. The airspace of the acinus exhibited nonspherical deformation as a result of the anisotropic deformation of acinar tissue. A strain hotspot occurred at the ridge-shaped region caused by a rod-like deformation of acinar tissue on the ridge. The local structure becomes bowl-shaped for inflation and, without surface tension effects, the surface of the bowl-shaped region primarily experiences isotropic deformation. Surface tension effects suppressed the increase in airspace volume and inner surface area, while facilitating anisotropic deformation on the alveolar surface. In the lungs, the heterogeneous acinar structure and surface tension induce anisotropic deformation at the acinar and alveolar scales. Further research is needed on structural variation of acini, inter-acini connectivity, or dynamic behavior to understand multiscale lung mechanics. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Structure and reaction mechanism of basil eugenol synthase.

    Directory of Open Access Journals (Sweden)

    Gordon V Louie

    2007-10-01

    Full Text Available Phenylpropenes, a large group of plant volatile compounds that serve in multiple roles in defense and pollinator attraction, contain a propenyl side chain. Eugenol synthase (EGS catalyzes the reductive displacement of acetate from the propenyl side chain of the substrate coniferyl acetate to produce the allyl-phenylpropene eugenol. We report here the structure determination of EGS from basil (Ocimum basilicum by protein x-ray crystallography. EGS is structurally related to the short-chain dehydrogenase/reductases (SDRs, and in particular, enzymes in the isoflavone-reductase-like subfamily. The structure of a ternary complex of EGS bound to the cofactor NADP(H and a mixed competitive inhibitor EMDF ((7S,8S-ethyl (7,8-methylene-dihydroferulate provides a detailed view of the binding interactions within the EGS active site and a starting point for mutagenic examination of the unusual reductive mechanism of EGS. The key interactions between EMDF and the EGS-holoenzyme include stacking of the phenyl ring of EMDF against the cofactor's nicotinamide ring and a water-mediated hydrogen-bonding interaction between the EMDF 4-hydroxy group and the side-chain amino moiety of a conserved lysine residue, Lys132. The C4 carbon of nicotinamide resides immediately adjacent to the site of hydride addition, the C7 carbon of cinnamyl acetate substrates. The inhibitor-bound EGS structure suggests a two-step reaction mechanism involving the formation of a quinone-methide prior to reduction. The formation of this intermediate is promoted by a hydrogen-bonding network that favors deprotonation of the substrate's 4-hydroxyl group and disfavors binding of the acetate moiety, akin to a push-pull catalytic mechanism. Notably, the catalytic involvement in EGS of the conserved Lys132 in preparing the phenolic substrate for quinone methide formation through the proton-relay network appears to be an adaptation of the analogous role in hydrogen bonding played by the equivalent

  3. Structure and mechanical properties of Octopus vulgaris suckers.

    Science.gov (United States)

    Tramacere, Francesca; Kovalev, Alexander; Kleinteich, Thomas; Gorb, Stanislav N; Mazzolai, Barbara

    2014-02-06

    In this study, we investigate the morphology and mechanical features of Octopus vulgaris suckers, which may serve as a model for the creation of a new generation of attachment devices. Octopus suckers attach to a wide range of substrates in wet conditions, including rough surfaces. This amazing feature is made possible by the sucker's tissues, which are pliable to the substrate profile. Previous studies have described a peculiar internal structure that plays a fundamental role in the attachment and detachment processes of the sucker. In this work, we present a mechanical characterization of the tissues involved in the attachment process, which was performed using microindentation tests. We evaluated the elasticity modulus and viscoelastic parameters of the natural tissues (E ∼ 10 kPa) and measured the mechanical properties of some artificial materials that have previously been used in soft robotics. Such a comparison of biological prototypes and artificial material that mimics octopus-sucker tissue is crucial for the design of innovative artificial suction cups for use in wet environments. We conclude that the properties of the common elastomers that are generally used in soft robotics are quite dissimilar to the properties of biological suckers.

  4. Probing cell structure responses through a shear and stretching mechanical stimulation technique.

    Science.gov (United States)

    Steward, Robert L; Cheng, Chao-Min; Wang, Danny L; LeDuc, Philip R

    2010-04-01

    Cells are complex, dynamic systems that respond to various in vivo stimuli including chemical, mechanical, and scaffolding alterations. The influence of mechanics on cells is especially important in physiological areas that dictate what modes of mechanics exist. Complex, multivariate physiological responses can result from multi-factorial, multi-mode mechanics, including tension, compression, or shear stresses. In this study, we present a novel device based on elastomeric materials that allowed us to stimulate NIH 3T3 fibroblasts through uniaxial strip stretching or shear fluid flow. Cell shape and structural response was observed using conventional approaches such as fluorescent microscopy. Cell orientation and actin cytoskeleton alignment along the direction of applied force were observed to occur after an initial 3 h time period for shear fluid flow and static uniaxial strip stretching experiments although these two directions of alignment were oriented orthogonal relative to each other. This response was then followed by an increasingly pronounced cell and actin cytoskeleton alignment parallel to the direction of force after 6, 12, and 24 h, with 85% of the cells aligned along the direction of force after 24 h. These results indicate that our novel device could be implemented to study the effects of multiple modes of mechanical stimulation on living cells while probing their structural response especially with respect to competing directions of alignment and orientation under these different modes of mechanical stimulation. We believe that this will be important in a diversity of fields including cell mechanotransduction, cell-material interactions, biophysics, and tissue engineering.

  5. Vibroacoustic Modeling of Mechanically Coupled Structures: Artificial Spring Technique Applied to Light and Heavy Mediums

    Directory of Open Access Journals (Sweden)

    L. Cheng

    1996-01-01

    Full Text Available This article deals with the modeling of vibrating structures immersed in both light and heavy fluids, and possible applications to noise control problems and industrial vessels containing fluids. A theoretical approach, using artificial spring systems to characterize the mechanical coupling between substructures, is extended to include fluid loading. A structure consisting of a plate-ended cylindrical shell and its enclosed acoustic cavity is analyzed. After a brief description of the proposed technique, a number of numerical results are presented. The analysis addresses the following specific issues: the coupling between the plate and the shell; the coupling between the structure and the enclosure; the possibilities and difficulties regarding internal soundproofing through modifications of the joint connections; and the effects of fluid loading on the vibration of the structure.

  6. A soft matter in construction - Statistical physics approach to formation and mechanics of C-S-H gels in cement

    Science.gov (United States)

    Del Gado, E.; Ioannidou, K.; Masoero, E.; Baronnet, A.; Pellenq, R. J.-M.; Ulm, F.-J.; Yip, S.

    2014-10-01

    Calcium-silicate hydrate (C-S-H) is the main binding agent in cement and concrete. It forms at the beginning of cement hydration, it progressively densifies as cement hardens and is ultimately responsible of concrete performances. This hydration product is a cohesive nano-scale gel, whose structure and mechanics are still poorly understood, in spite of its practical importance. Here we review some of the open questions for this fascinating material and a statistical physics approach recently developed, which allows us to investigate the gel formation under the out-of-equilibrium conditions typical of cement hydration and the role of the nano-scale structure in C-S-H mechanics upon hardening. Our approach unveils how some distinctive features of the kinetics of cement hydration can be related to changes in the morphology of the gels and elucidates the role of nano-scale mechanical heterogeneities in the hardened C-S-H.

  7. A Probabilistic Physics of Failure Approach for Structure Corrosion Reliability Analysis

    Directory of Open Access Journals (Sweden)

    Chaoyang Xie

    2016-01-01

    Full Text Available Corrosion is recognized as one of the most important degradation mechanisms that affect the long-term reliability and integrity of metallic structures. Studying the structural reliability with pitting corrosion damage is useful for risk control and safety operation for the corroded structure. This paper proposed a structure corrosion reliability analysis approach based on the physics-based failure model of pitting corrosion, where the states of pitting growth, pit-to-crack, and cracking propagation are included in failure model. Then different probabilistic analysis methods such as Monte-Carlo Simulation (MCS, First-Order Reliability Method (FORM, Second-Order Reliability Method (SORM, and response surface method are employed to calculate the reliability. At last, an example is presented to demonstrate the capability of the proposed structural reliability model and calculating methods for structural corrosion failure analysis.

  8. Solving atomic structures using statistical mechanical searches on x-ray scattering derived potential energy surfaces

    Science.gov (United States)

    Wright, Christopher James

    Engineering the next generation of materials, especially nanomaterials, requires a detailed understanding of the material's underlying atomic structure. These structures give us better insight into structure-property relationships, allowing for property driven material design on the atomic level. Even more importantly, understanding structures in-situ will translate stimuli and responses on the macroscopic scale to changes on the nanoscale. Despite the importance of precise atomic structures for materials design, solving atomic structures is difficult both experimentally and computationally. Atomic pair distribution functions (PDFs) provide information on atomic structure, but the difficulty of extracting the PDF from x-ray total scattering measurements limits their use. Translating the PDF into an atomic structure requires the search of a very high dimensional space, the set of all potential atomic configurations. The large computational cost of running these simulations also limits the use of PDF as an atomistic probe. This work aims to address these issues by developing 1) novel statistical mechanical approaches to solving material structures, 2) fast simulation of x-ray total scattering and atomic pair distribution functions (PDFs), and 3) data processing procedures for experimental x-ray total scattering measurements. First, experimentally derived potential energy surfaces (PES) and the statistical mechanical ensembles used to search them are developed. Then the mathematical and computational framework for the PDF and its gradients will be discussed. The combined PDF-PES-ensemble system will be benchmarked against a series of nanoparticle structures to ascertain the efficiency and effectiveness of the system. Experimental data processing procedures, which maximize the usable data, will be presented. Finally, preliminary results from experimental x-ray total scattering measurements will be discussed. This work presents one of the most complete end

  9. Mechanics, waves and thermodynamics an example-based approach

    CERN Document Server

    Jain, Sudhir Ranjan

    2016-01-01

    The principles of classical physics, though superseded in specific fields by such theories as quantum mechanics and general relativity, are still of great importance in a broad range of applications. The book presents fundamental concepts of classical physics in a coherent and logical manner. It discusses important topics including the mechanics of a single particle, kinetic theory, oscillations and waves. Topics including the kinetic theory of gases, thermodynamics and statistical mechanics are discussed, which are normally not present in the books on classical physics. The fundamental concepts of energy, momentum, mass and entropy are explained with examples. Discussion on concepts of thermodynamics is presented along with the simplified explanation on Caratheodory's axioms. It covers chapters on wave motion and statistical physics, useful for the graduate students. Each concept is supported with real-life applications on several concepts including impulse and collision, Bernoulli's equation, and friction.

  10. A new approach to teaching and learning mechanics

    Science.gov (United States)

    Westra, A. S.

    2006-10-01

    In this thesis a research project is described that took place from 2000 until 2004 in the Centre for Science and Mathematics Education in Utrecht. It involves a didactical research into the teaching and learning of an introduction to mechanics for fourth grade pre-university level students (Dutch: 4 VWO). Many people consider mechanics as an important part of physics, well worth teaching and learning, but also as a topic in which many difficulties in learning and understanding surface. The aims of the research are to contribute to a further understanding of these difficulties and to point in the direction of possible solutions.

  11. New approach to the neurobiological mechanisms of addiction.

    Science.gov (United States)

    Fürst, Zsuzsanna; Riba, Pál; Al-Khrasani, Mahmoud

    2013-12-01

    Much progress has been made in the last decade in the understanding the neural substrates of drug addiction, transmitters involved, epigenetic background and their relation to learning and memory but much remains to be elucidated and strong effort is necessary to integrate the rich information at the molecular, cellular systems, and behavioral levels to further clarify the mechanisms and therapy of this complex disease. The aim of this review is to collect and interpret the latest opinions in the development, the underlying mechanisms and therapy of addiction as a disease of central nervous system. The neurocircuitry, the transmitters and the epigenetics of addiction are discussed.

  12. Dependent systems reliability estimation by structural reliability approach

    DEFF Research Database (Denmark)

    Kostandyan, Erik; Sørensen, John Dalsgaard

    2014-01-01

    Estimation of system reliability by classical system reliability methods generally assumes that the components are statistically independent, thus limiting its applicability in many practical situations. A method is proposed for estimation of the system reliability with dependent components, where...... the leading failure mechanism(s) is described by physics of failure model(s). The proposed method is based on structural reliability techniques and accounts for both statistical and failure effect correlations. It is assumed that failure of any component is due to increasing damage (fatigue phenomena...

  13. Ultrasonic guided wave mechanics for composite material structural health monitoring

    Science.gov (United States)

    Gao, Huidong

    The ultrasonic guided wave based method is very promising for structural health monitoring of aging and modern aircraft. An understanding of wave mechanics becomes very critical for exploring the potential of this technology. However, the guided wave mechanics in complex structures, especially composite materials, are very challenging due to the nature of multi-layer, anisotropic, and viscoelastic behavior. The purpose of this thesis is to overcome the challenges and potentially take advantage of the complex wave mechanics for advanced sensor design and signal analysis. Guided wave mechanics is studied in three aspects, namely wave propagation, excitation, and damage sensing. A 16 layer quasi-isotropic composite with a [(0/45/90/-45)s]2 lay up sequence is used in our study. First, a hybrid semi-analytical finite element (SAFE) and global matrix method (GMM) is used to simulate guided wave propagation in composites. Fast and accurate simulation is achieved by using SAFE for dispersion curve generation and GMM for wave structure calculation. Secondly, the normal mode expansion (NME) technique is used for the first time to study the wave excitation characteristics in laminated composites. A clear and simple definition of wave excitability is put forward as a result of NME analysis. Source influence for guided wave excitation is plotted as amplitude on a frequency and phase velocity spectrum. This spectrum also provides a guideline for transducer design in guided wave excitation. The ultrasonic guided wave excitation characteristics in viscoelastic media are also studied for the first time using a modified normal mode expansion technique. Thirdly, a simple physically based feature is developed to estimate the guided wave sensitivity to damage in composites. Finally, a fuzzy logic decision program is developed to perform mode selection through a quantitative evaluation of the wave propagation, excitation and sensitivity features. Numerical simulation algorithms are

  14. Materials, Structures and Manufacturing: An Integrated Approach to Develop Expandable Structures

    Science.gov (United States)

    Belvin, W. Keith; Zander, Martin E.; Sleight, Daid W.; Connell, John; Holloway, Nancy; Palmieri, Frank

    2012-01-01

    Membrane dominated space structures are lightweight and package efficiently for launch; however, they must be expanded (deployed) in-orbit to achieve the desired geometry. These expandable structural systems include solar sails, solar power arrays, antennas, and numerous other large aperture devices that are used to collect, reflect and/or transmit electromagnetic radiation. In this work, an integrated approach to development of thin-film damage tolerant membranes is explored using advanced manufacturing. Bio-inspired hierarchical structures were printed on films using additive manufacturing to achieve improved tear resistance and to facilitate membrane deployment. High precision, robust expandable structures can be realized using materials that are both space durable and processable using additive manufacturing. Test results show this initial work produced higher tear resistance than neat film of equivalent mass. Future research and development opportunities for expandable structural systems designed using an integrated approach to structural design, manufacturing, and materials selection are discussed.

  15. Mechanisms underlying astringency: introduction to an oral tribology approach

    Science.gov (United States)

    Upadhyay, Rutuja; Brossard, Natalia; Chen, Jianshe

    2016-03-01

    Astringency is one of the predominant factors in the sensory experience of many foods and beverages ranging from wine to nuts. The scientific community is discussing mechanisms that explain this complex phenomenon, since there are no conclusive results which correlate well with sensory astringency. Therefore, the mechanisms and perceptual characteristics of astringency warrant further discussion and investigation. This paper gives a brief introduction of the fundamentals of oral tribology forming a basis of the astringency mechanism. It discusses the current state of the literature on mechanisms underlying astringency describing the existing astringency models. The review discusses the crucial role of saliva and its physiology which contributes significantly in astringency perception in the mouth. It also provides an overview of research concerned with the physiological and psychophysical factors that mediate the perception of this sensation, establishing the ground for future research. Thus, the overall aim of the review is to establish the critical roles of oral friction (thin-film lubrication) in the sensation of astringency and possibly of some other specific sensory features.

  16. Instructor's Guide for Fluid Mechanics: A Modular Approach.

    Science.gov (United States)

    Cox, John S.

    This guide is designed to assist engineering teachers in developing an understanding of fluid mechanics in their students. The course is designed around a set of nine self-paced learning modules, each of which contains a discussion of the subject matter; incremental objectives; problem index, set and answers; resource materials; and a quiz with…

  17. Possible Pathogenetic Mechanisms and New Therapeutic Approaches of Pes Equinovarus

    Czech Academy of Sciences Publication Activity Database

    Ošťádal, M.; Lišková, Jana; Hadraba, Daniel; Eckhardt, Adam

    2017-01-01

    Roč. 66, č. 3 (2017), s. 403-410 ISSN 0862-8408 R&D Projects: GA MZd(CZ) NV15-29153A Institutional support: RVO:67985823 Keywords : Pes equinovarus * clubfoot * pathogenetic mechanisms * fibrosis Subject RIV: FI - Traumatology, Orthopedics Impact factor: 1.461, year: 2016

  18. A new approach to teaching and learning mechanics

    NARCIS (Netherlands)

    Westra, A.S.

    2006-01-01

    In this thesis a research project is described that took place from 2000 until 2004 in the Centre for Science and Mathematics Education in Utrecht. It involves a didactical research into the teaching and learning of an introduction to mechanics for fourth grade pre-university level students (Dutch:

  19. A Hamiltonian approach to stabilization of nonholonomic mechanical systems

    NARCIS (Netherlands)

    Maschke, B.M.; Schaft, A.J. van der

    1994-01-01

    A simple procedure is provided to write the equations of motion of controlled mechanical systems with constraints as controlled Hamiltonian equations with respect to a "Poisson" bracket which does not necessarily satisfy the Jacobi-identity. Based on the Hamiltonian form a stabilization procedure is

  20. A Morphogenetic Design Approach with Embedded Structural Analysis

    DEFF Research Database (Denmark)

    Jensen, Mads Brath; Kirkegaard, Poul Henning; Holst, Malene Kirstine

    2010-01-01

    The present paper explores a morphogenetic design approach with embedded structural analysis for architectural design. A material system based on a combined space truss and membrane system has been derived as a growth system with inspiration from natural growth of plants. The structural system...... is capable of adding new elements based on a structural analysis of the existing components and their internal stress levels. A GA decision-making procedure that control the generation of the growth cycles is introduced. This evaluation and generation loop is capable of successfully making decisions based...... on several, and often conflicting, inputs formulated from architectural requirements. An experiment with a tri-pyramid component has been considered, but many other space truss systems could be explored in the same manner and result in highly performative outcomes. not only with respect to the structural...

  1. Testing the circular structure of human values : a meta-analytical structural equation modelling approach

    OpenAIRE

    Holger Steinmetz; Rodrigo Isidor; Naissa Baeuerle

    2012-01-01

    "Schwartz' theory of human values has found widespread interest in the social sciences. A central part of the theory is that the 10 proposed basic values (i.e., achievement, power, self-direction, hedonism, stimulation, benevolence, universalism, conformity, security, and tradition) are arranged in a circular structure. The present study applies a meta-analytical structural equation modeling approach to test the circular structure. The model tested was the quasi-circumplex model, which is con...

  2. Stress and Syllable Structure in English: Approaches to Phonological Variations

    Directory of Open Access Journals (Sweden)

    San Duanmu

    2005-12-01

    Full Text Available We use phonological variation to refer to alternative forms that are available in a language, such as different syllable structures or word stress patterns in English. We discuss several approaches to such variations and argue for a new approach, in which all alternative forms observe a set of inviolable constraints. In particular, we propose that all English words observe four constraints: (a a foot must be disyllabic, (b stressed syllables must be heavy, (c heavy syllables must have stress, and (d the maximal syllable is CVX. We discuss the implications of our proposal for Optimality Theory and for the analysis of linguistic variation in general.

  3. A Statistical Mechanics Approach to Approximate Analytical Bootstrap Averages

    DEFF Research Database (Denmark)

    Malzahn, Dorthe; Opper, Manfred

    2003-01-01

    We apply the replica method of Statistical Physics combined with a variational method to the approximate analytical computation of bootstrap averages for estimating the generalization error. We demonstrate our approach on regression with Gaussian processes and compare our results with averages...

  4. A Symposium: Fluid Mechanics and the Environment: Dynamical Approaches

    Science.gov (United States)

    2000-07-10

    and the Environment : Dynamical Approaches. There were twenty-three invited papers, and only two posters....We held a symposium, in which questions arising from the interaction of fluid dynamics, applied mathematics and dynamical systems theory in the ... environment , in flows relevant to aircraft and in model flows, were addressed. This was a relatively small symposium, of fewer than 50 people, so that

  5. Structural approaches for prevention of sexually transmitted HIV in general populations: definitions and an operational approach

    Directory of Open Access Journals (Sweden)

    Justin O Parkhurst

    2014-09-01

    Full Text Available Introduction: Although biomedical HIV prevention efforts have seen a number of recent promising developments, behavioural interventions have often been described as failing. However, clear lessons have been identified from past efforts, including the need to address influential social, economic and legal structures; to tailor efforts to local contexts; and to address multiple influencing factors in combination. Despite these insights, there remains a pervasive strategy to try to achieve sexual behaviour change through single, decontextualized, interventions or sets of activities. With current calls for structural approaches to HIV as part of combination HIV prevention, though, there is a unique opportunity to define a structural approach to HIV prevention as one which moves beyond these past limitations and better incorporates our knowledge of the social world and the lessons from past efforts. Discussion: A range of interlinked concepts require delineation and definition within the broad concept of a structural approach to HIV. This includes distinguishing between “structural factors,” which can be seen as any number of elements (other than knowledge which influence risk and vulnerability, and “structural drivers,” which should be reserved for situations where an empirically established relationship to a target group is known. Operationalizing structural approaches similarly can take different paths, either working to alter structural drivers or alternatively working to build individual and community resilience to infection. A “structural diagnostic approach” is further defined as the process one undertakes to develop structural intervention strategies tailored to target groups. Conclusions: For three decades, the HIV prevention community has struggled to reduce the spread of HIV through sexual risk behaviours with limited success, but equally with limited engagement with the lessons that have been learned about the social realities

  6. Fluid-Structure Interaction Mechanisms for Close-In Explosions

    Directory of Open Access Journals (Sweden)

    Andrew B. Wardlaw Jr.

    2000-01-01

    Full Text Available This paper examines fluid-structure interaction for close-in internal and external underwater explosions. The resulting flow field is impacted by the interaction between the reflected explosion shock and the explosion bubble. This shock reflects off the bubble as an expansion that reduces the pressure level between the bubble and the target, inducing cavitation and its subsequent collapse that reloads the target. Computational examples of several close-in interaction cases are presented to document the occurrence of these mechanisms. By comparing deformable and rigid body simulations, it is shown that cavitation collapse can occur solely from the shock-bubble interaction without the benefit of target deformation. Addition of a deforming target lowers the flow field pressure, facilitates cavitation and cavitation collapse, as well as reducing the impulse of the initial shock loading.

  7. Structural, thermodynamic, and mechanical properties of WCu solid solutions

    Science.gov (United States)

    Liang, C. P.; Wu, C. Y.; Fan, J. L.; Gong, H. R.

    2017-11-01

    Various properties of Wsbnd Cu solid solutions are systematically investigated through a combined use of first-principles calculation, cluster expansion, special quasirandom structures (SQS), and lattice dynamics. It is shown that SQS are effective to unravel the intrinsic nature of solid solutions, and that BCC and FCC W100-xCux solid solutions are energetically more stable when 0 ≤ x ≤ 70 and 70 thermodynamic properties of Wsbnd Cu, and that the coefficients of thermal expansion of W100-xCux solid solutions are much lower than those of corresponding mechanical mixtures. In addition, the G/B values of W100-xCux solid solutions reach a minimum at x = 50, which is fundamentally due to the softening of phonons as well as strong chemical bonding between W and Cu with a mainly metallic feature.

  8. [The structure and mechanism of action of clostridial neurotoxins].

    Science.gov (United States)

    Parasion, Sylwia; Bartoszcze, Michał; Gryko, Romuald

    2007-01-01

    Clostridium botulinum and Clostridium tetani produce highly potent neurotoxins, called botulinum toxins and tetanus toxin, respectively. The clostridial neurotoxins specifically bind to neuronal cells and disrupt neurotransmisser release by cleaving proteins involved in specific vesicle membrane fusion. Each toxin is synthesized as an inactive approximately 150 kDa single-chain protein. The protein is posttranslationally proteolyzed to form the active dichain molecule in which the chains approximately 50 and approximately 100 kDa, remain linked by a disulfide bond. The structural organization is funcionally related to the fact that CNTs intoxicate neurons via four-step mechanism consisting of 1. binding, 2. internalization, 3. membrane translocation, and 4. enzymatic target modification. The L chain is responsible for the intracellular catalitic activity. The NH2-terminal 50-kDa domain of the H chain (HN) is implicated in membrane translocation, whereas the COOH-terminal part (HC) is mainly responsible for neurospecific binding.

  9. Maturation of [FeFe]-hydrogenases: Structures and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Nicolet, Yvain; Fontecilla-Camps, Juan C. [Laboratoire de Cristallographie et Cristallogenese des Proteines, Institut de Biologie Structurale J.P. Ebel, Universite Joseph Fourier, Grenoble, CNRS, UMR 5075, CEA, DSV/IBS, 41 rue J. Horowitz F-38027 Grenoble cedex 1 (France); Fontecave, Marc [Laboratoire de Chimie et Biologie des Metaux; Universite Joseph Fourier, Grenoble, CNRS, UMR 5249, CEA, DSV/iRTSV, 17 rue des Martyrs F-38054 Grenoble cedex 9 (France); College de France, 11 place Marcelin-Berthelot 75231 Paris cedex 05 (France)

    2010-10-15

    Maturation of [FeFe]-hydrogenases, consisting in the synthesis and assembly of a di-iron center with a dithiolate bridging ligand as well as CO and CN ligands, depends on the concerted action of three metalloproteins, HydE, HydF and HydG. HydE and HydG are ''Radical-SAM'' enzymes involved in the synthesis of the ligands. HydF is proposed to function as a scaffold protein in which the di-iron center is assembled before being transferred to the hydrogenase. Here we review the current knowledge regarding the structure of the three maturases and the mechanisms of synthesis and assembly of the di-iron center of [FeFe]-hydrogenases. (author)

  10. Distortional Mechanics of Thin-Walled Structural Elements

    DEFF Research Database (Denmark)

    Andreassen, Michael Joachim

    In several industries such as civil, mechanical, and aerospace, thin-walled structures are often used due to the high strength and effective use of the materials. Because of the increased consumption there has been increasing focus on optimizing and more detailed calculations. However, finely...... eigenmodes and may be used in the automatic meshing of approximate distortional beam elements. The magnitude of the eigenvalues thus also gives the natural ordering of the modes. The results are compared to results found using other computational methods taking distortion of the cross section into account...... provides reasonable results with a very small computational cost making it a good alternative to the classical FE calculations and other available methods....

  11. On lack-of-knowledge theory in structural mechanics

    Science.gov (United States)

    Louf, François; Enjalbert, Paul; Ladevèze, Pierre; Romeuf, Thierry

    2010-07-01

    Today, the validation of complex structural models - i.e. the assessment of their quality compared to an experimental reference - remains a major issue. Strictly speaking, the validation problem consists in comparing the response of the numerical model (whether deterministic or stochastic) with complete reality. A first answer to this problem, using Lack-Of-Knowledge (LOK) theory, was introduced at LMT-Cachan. This theory is an attempt to "model the unknown" by taking all the sources of uncertainties, including modeling errors, into account through the concept of basic LOKs. In this article, we introduce basic LOKs associated with both the amplitudes and directions of excitations. These basic LOKs are propagated rigorously throughout the mechanical model in order to determine intervals (with stochastic bounds) within which lies a given quantity of interest (stress or displacement). Then, we introduce a strategy for the reduction of lack of knowledge, which we illustrate through an academic example.

  12. Multiple methods integration for structural mechanics analysis and design

    Science.gov (United States)

    Housner, J. M.; Aminpour, M. A.

    1991-01-01

    A new research area of multiple methods integration is proposed for joining diverse methods of structural mechanics analysis which interact with one another. Three categories of multiple methods are defined: those in which a physical interface are well defined; those in which a physical interface is not well-defined, but selected; and those in which the interface is a mathematical transformation. Two fundamental integration procedures are presented that can be extended to integrate various methods (e.g., finite elements, Rayleigh Ritz, Galerkin, and integral methods) with one another. Since the finite element method will likely be the major method to be integrated, its enhanced robustness under element distortion is also examined and a new robust shell element is demonstrated.

  13. Data analysis of asymmetric structures advanced approaches in computational statistics

    CERN Document Server

    Saito, Takayuki

    2004-01-01

    Data Analysis of Asymmetric Structures provides a comprehensive presentation of a variety of models and theories for the analysis of asymmetry and its applications and provides a wealth of new approaches in every section. It meets both the practical and theoretical needs of research professionals across a wide range of disciplines and  considers data analysis in fields such as psychology, sociology, social science, ecology, and marketing. In seven comprehensive chapters this guide details theories, methods, and models for the analysis of asymmetric structures in a variety of disciplines and presents future opportunities and challenges affecting research developments and business applications.

  14. Mechanisms for fatigue and wear of polysilicon structural thinfilms

    Energy Technology Data Exchange (ETDEWEB)

    Alsem, Daniel Henricus [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    Fatigue and wear in micron-scale polysilicon structural films can severely impact the reliability of microelectromechanical systems (MEMS). Despite studies on fatigue and wear behavior of these films, there is still an on-going debate regarding the precise physical mechanisms for these two important failure modes. Although macro-scale silicon does not fatigue, this phenomenon is observed in micron-scale silicon. It is shown that for polysilicon devices fabricated in the MUMPs foundry and SUMMiT process stress-lifetime data exhibits similar trends in ambient air, shorter lifetimes in higher relative humidity environments and no fatigue failure at all in high vacuum. Transmission electron microscopy of the surface oxides of the samples show an approximate four-fold thickening of the oxide at stress concentrations after fatigue failure, but no thickening after fracture in air or after fatigue cycling in vacuo. It is found that such oxide thickening and fatigue failure (in air) occurs in devices with initial oxide thicknesses of ~4-20 nm. Such results are interpreted and explained by a reaction layer fatigue mechanism; specifically, moisture-assisted subcritical cracking within a cyclic stress-assisted thickened oxide layer occurs until the crack reaches a critical size to cause catastrophic failure. Polysilicon specimens from the SUMMiT process are used to study wear mechanisms in micron-scale silicon in ambient air. Worn parts are examined by analytical scanning and transmission electron microscopy, while temperature changes are monitored using infrared microscopy. These results are compared with the development of values of static coefficients of friction (COF) with number of wear cycles. Observations show amorphous debris particles (~50-100 nm) created by fracture through the silicon grains (~500 nm), which subsequently oxidize, agglomerate into clusters and create plowing tracks. A nano-crystalline layer (~20-200 nm) forms at worn regions. No dislocations or

  15. Seagull feather shaft: Correlation between structure and mechanical response.

    Science.gov (United States)

    Wang, Bin; Meyers, Marc André

    2017-01-15

    Flight feathers are unique among a variety of keratinous appendages in that they are lightweight, stiff and strong. They are designed to withstand aerodynamic forces, but their morphology and structure have been oversimplified and thus understudied historically. Here we present an investigation of the shaft from seagull primary feathers, elucidate the hierarchical fibrous and porous structure along the shaft length, and correlate the tensile and nanomechanical properties to the fiber orientation. An analysis of the compressive behavior of the rachis based on a square-section model shows a good fit with experimental results, and demonstrates the synergy between the cortex and medulla. Flexural properties of the shaft along the shaft length, analyzed as a sandwich composite, reveal that although all flexural parameters decrease towards the distal shaft, the specific equivalent flexural modulus and strength increase by factors of 2 and 3, respectively. The failure mode in flexure for all specimens is buckling on the compressive surface, whereas the foamy medulla prevents destructive axial cracking and introduces important toughening mechanisms: crack deflection, fiber bridging, and microcracking. Using mechanics principles, we analyze the feather shaft as a composite beam and demonstrate that the flexural strength is extraordinary, considering its weight and tailored along the length. The cross section changes from circular in the proximal base to square/rectangular in the distal end. We also discovered that the composite design, a solid shell enclosing a foam core, produces synergistic strengthening and toughening to the feather at a minimum of weight. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  16. Roles of nanofiller structure on mechanical behavior of thermoplastic nanocomposites

    Science.gov (United States)

    Weon, Jong Il

    The roles of nanofiller structural parameters, such as filler shape, aspect ratio and orientation, on mechanical properties of thermoplastic nanocomposites have been studied. A commercial grade nylon-6/clay nanocomposite is subjected to a large-scale simple shear orientation process and the resulting morphology is investigated on various length scale levels. Both the orientation and the aspect ratio of nanoclays, which can be altered by the simple shear process, have been studied. The incorporation of well-dispersed nanoclays into the nylon-6 matrix greatly reduces the chain mobility as well as the crystallinity of nylon-6. The exfoliated nanocomposites show that the global orientation of clay layers dictates the orientation of crystalline lamellae. Two types of lamellar orientation are observed, as revealed by small-angle X-ray scattering. One type of lamellae is oriented ˜41° away from the clay surface, whereas the simple shear process induces another weak preferred lamellar orientation nearly perpendicular to the clay surface. The formation of those lamellar orientations appears to be related to both orientation of the clay in the nanocomposite and the simple shear process. It is found that the modulus, strength, and heat distortion temperature of the nanocomposites decrease as the clay aspect ratio and degree of orientation are reduced. The micromechanics-based models accurately describe the relationship between clay structural parameters and the corresponding moduli for exfoliated nanocomposites. The impact fracture mechanisms of polypropylene (PP)-calcium carbonate (CaCO3) nanoparticles have been investigated. A detailed investigation reveals that the CaCO 3 nanoparticles act as stress concentrators to initiate massive crazes, followed by shear banding in the PP matrix.

  17. Role of tissue structure on ventricular wall mechanics.

    Science.gov (United States)

    Coppola, Benjamin A; Omens, Jeffrey H

    2008-09-01

    It is well known that systolic wall thickening in the inner half of the left ventricular (LV) wall is of greater magnitude than predicted by myofiber contraction alone. Previous studies have related the deformation of the LV wall to the orientation of the laminar architecture. Using this method, wall thickening can be interpreted as the sum of contributions due to extension, thickening, and shearing of the laminar sheets. We hypothesized that the thickening mechanics of the ventricular wall are determined by the structural organization of the underlying tissue, and may not be influenced by factors such as loading and activation sequence. To test this hypothesis, we calculated finite strains from biplane cineradiography of transmural markers implanted in apical (n = 22) and basal (n = 12) regions of the canine anterior LV free wall. Strains were referred to three-dimensional laminar microstructural axes measured by histology. The results indicate that sheet angle is of opposite sign in the apical and basal regions, but absolute value differs only in the subepicardium. During systole, shearing and extension of the laminae contribute the most to wall thickening, accounting for >90% (transmural average) at both apex and base. These two types of deformation are also most prominent during diastolic inflation. Increasing afterload has no effect on the pattern of systolic wall thickening, nor does reversing transmural activation sequence. The pattern of wall thickening appears to be a function of the orientation of the laminar sheets, which vary regionally and transmurally. Thus, acute interventions do not appear to alter the contributions of the laminae to wall thickening, providing further evidence that the structural architecture of the ventricular wall is the dominant factor for its regional mechanical function.

  18. Scanning Probe Evaluation of Electronic, Mechanical and Structural Material Properties

    Science.gov (United States)

    Virwani, Kumar

    2011-03-01

    We present atomic force microscopy (AFM) studies of a range of properties from three different classes of materials: mixed ionic electronic conductors, low-k dielectrics, and polymer-coated magnetic nanoparticles. (1) Mixed ionic electronic conductors are being investigated as novel diodes to drive phase-change memory elements. Their current-voltage characteristics are measured with direct-current and pulsed-mode conductive AFM (C-AFM). The challenges to reliability of the C-AFM method include the electrical integrity of the probe, the sample and the contacts, and the minimization of path capacitance. The role of C-AFM in the optimization of these electro-active materials will be presented. (2) Low dielectric constant (low-k) materials are used in microprocessors as interlayer insulators, a role directly affected by their mechanical performance. The mechanical properties of nanoporous silicate low-k thin films are investigated in a comparative study of nanomechanics measured by AFM and by traditional nanoindentation. Both methods are still undergoing refinement as reliable analytical tools for determining nanomechanical properties. We will focus on AFM, the faster of the two methods, and its developmental challenges of probe shape, cantilever force constant, machine compliance and calibration standards. (3) Magnetic nanoparticles are being explored for their use in patterned media for magnetic storage. Current methods for visualizing the core-shell structure of polymer-coated magnetic nanoparticles include dye-staining the polymer shell to provide contrast in transmission electron microscopy. AFM-based fast force-volume measurements provide direct visualization of the hard metal oxide core within the soft polymer shell based on structural property differences. In particular, the monitoring of adhesion and deformation between the AFM tip and the nanoparticle, particle-by-particle, provides a reliable qualitative tool to visualize core-shell contrast without the use

  19. System Topology Optimization - An Approach to System Design of Electro-Hydraulic-Mechanical Systems

    DEFF Research Database (Denmark)

    Andersen, T. O.; Hansen, M. R.; Conrad, Finn

    2003-01-01

    The current paper presents an approach to system design of combined electro-hydraulic-mechanical systems. The approach is based on the concurrent handling of the topology as well as the design parameters of the mechanical, hydraulic and controller sub- systems, respectively. Based on an initial d...

  20. PREFACE: The 4th Symposium on the Mechanics of Slender Structures (MoSS2013)

    Science.gov (United States)

    Cao, Dengqing; Kaczmarczyk, Stefan

    2013-07-01

    ; in cable-supported bridges, guyed masts and long-span roofs of buildings and stadia. Suspended cables are also applied as electricity transmission lines. Chains are used in various power transmission systems that include such mechanical systems as chain drives and chain saws. Moving conveyor belts are essential components in various material handling installations. Other structures such as pipelines, plates, beams, mechanical linkages and DNA structures also fall into this category. The behaviour of these elements plays a significant role in the performance of the host structure and a holistic approach is needed in the analysis and design of the entire system. This meeting brings together experts from various fields: structural mechanics, thermo-mechanics, dynamics, electrodynamics, vibration and control, structural health monitoring, artificial intelligence, materials science and applied mathematics to discuss the current state of research as well as rising trends and direction for future research in the area of mechanics of slender structures. The event is aimed at improving the understanding of structural and thermo-mechanical properties and behaviour of slender structures. The papers presented at the conference cover analytical, numerical and experimental research in various applications of slender structures. The Organizing Committee gratefully acknowledges support received from the co-sponsoring institutions and would like to thank the authors for their hard work and high quality contributions. Dengqing Cao Harbin Institute of Technology Stefan Kaczmarczyk The University of Northampton

  1. Inelastic material behavior and fracture mechanics a variational approach

    CERN Document Server

    Bruno, L

    1999-01-01

    A variational principle is presented, which relates the macroscopic fracture response of a mechanical component to its microscopic, inelastic material behavior. The principle allows a comparison between the crack driving force, expressed by the J-integral, and an integral expression of the fracture resistance. On this basis, the critical values of J are calculated for a Griffith crack under mixed- mode loading. The preliminary check with data available in literature shows a fairly good agreement. (8 refs).

  2. A statistical mechanics approach to autopoietic immune networks

    Science.gov (United States)

    Barra, Adriano; Agliari, Elena

    2010-07-01

    In this work we aim to bridge theoretical immunology and disordered statistical mechanics. We introduce a model for the behavior of B-cells which naturally merges the clonal selection theory and the autopoietic network theory as a whole. From the analysis of its features we recover several basic phenomena such as low-dose tolerance, dynamical memory of antigens and self/non-self discrimination.

  3. Protein structure refinement using a quantum mechanics-based chemical shielding predictor.

    Science.gov (United States)

    Bratholm, Lars A; Jensen, Jan H

    2017-03-01

    The accurate prediction of protein chemical shifts using a quantum mechanics (QM)-based method has been the subject of intense research for more than 20 years but so far empirical methods for chemical shift prediction have proven more accurate. In this paper we show that a QM-based predictor of a protein backbone and CB chemical shifts (ProCS15, PeerJ , 2016, 3, e1344) is of comparable accuracy to empirical chemical shift predictors after chemical shift-based structural refinement that removes small structural errors. We present a method by which quantum chemistry based predictions of isotropic chemical shielding values (ProCS15) can be used to refine protein structures using Markov Chain Monte Carlo (MCMC) simulations, relating the chemical shielding values to the experimental chemical shifts probabilistically. Two kinds of MCMC structural refinement simulations were performed using force field geometry optimized X-ray structures as starting points: simulated annealing of the starting structure and constant temperature MCMC simulation followed by simulated annealing of a representative ensemble structure. Annealing of the CHARMM structure changes the CA-RMSD by an average of 0.4 Å but lowers the chemical shift RMSD by 1.0 and 0.7 ppm for CA and N. Conformational averaging has a relatively small effect (0.1-0.2 ppm) on the overall agreement with carbon chemical shifts but lowers the error for nitrogen chemical shifts by 0.4 ppm. If an amino acid specific offset is included the ProCS15 predicted chemical shifts have RMSD values relative to experiments that are comparable to popular empirical chemical shift predictors. The annealed representative ensemble structures differ in CA-RMSD relative to the initial structures by an average of 2.0 Å, with >2.0 Å difference for six proteins. In four of the cases, the largest structural differences arise in structurally flexible regions of the protein as determined by NMR, and in the remaining two cases, the large structural

  4. Biophysical approaches to G protein-coupled receptors: Structure, function and dynamics

    Science.gov (United States)

    Chollet, André; Turcatti, Gerardo

    1999-05-01

    G protein-coupled receptors (GPCR) represent a large family of drug targets for which there is no high-resolution structural information. In order to understand the mechanisms of ligand recognition and receptor activation, there is a strong need for novel biophysical methods. In this Perspective we provide an overview of recent experimental approaches used to explore the molecular architecture and dynamics of GPCR and their interactions with ligands and G proteins using biophysical, non-crystallographic, methods.

  5. Crystal Structure Representation for Neural Networks using Topological Approach.

    Science.gov (United States)

    Fedorov, Aleksandr V; Shamanaev, Ivan V

    2017-08-01

    In the present work we describe a new approach, which uses topology of crystals for physicochemical properties prediction using artificial neural networks (ANN). The topologies of 268 crystal structures were determined using ToposPro software. Quotient graphs were used to identify topological centers and their neighbors. The topological approach was illustrated by training ANN to predict molar heat capacity, standard molar entropy and lattice energy of 268 crystals with different compositions and structures (metals, inorganic salts, oxides, etc.). ANN was trained using Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm. Mean absolute percentage error of predicted properties was ≤8 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Power flows and Mechanical Intensities in structural finite element analysis

    Science.gov (United States)

    Hambric, Stephen A.

    1989-01-01

    The identification of power flow paths in dynamically loaded structures is an important, but currently unavailable, capability for the finite element analyst. For this reason, methods for calculating power flows and mechanical intensities in finite element models are developed here. Formulations for calculating input and output powers, power flows, mechanical intensities, and power dissipations for beam, plate, and solid element types are derived. NASTRAN is used to calculate the required velocity, force, and stress results of an analysis, which a post-processor then uses to calculate power flow quantities. The SDRC I-deas Supertab module is used to view the final results. Test models include a simple truss and a beam-stiffened cantilever plate. Both test cases showed reasonable power flow fields over low to medium frequencies, with accurate power balances. Future work will include testing with more complex models, developing an interactive graphics program to view easily and efficiently the analysis results, applying shape optimization methods to the problem with power flow variables as design constraints, and adding the power flow capability to NASTRAN.

  7. Structure, function, and mechanism of cytosolic quinone reductases.

    Science.gov (United States)

    Bianchet, Mario A; Erdemli, Sabri Bora; Amzel, L Mario

    2008-01-01

    Quinone reductases type 1 (QR1) are FAD-containing enzymes that catalyze the reduction of many quinones, including menadione (Vit K3), to hydroquinones using reducing equivalents provided by NAD(P)H. The reaction proceeds with a ping-pong mechanism in which the NAD(P)H and the substrate occupy alternatively overlapping regions of the same binding site and participate in a double hydride transfer: one from NAD(P)H to the FAD of the enzyme, and one from the FADH(2) of the enzyme to the quinone substrate. The main function of QR1 is probably the detoxification of dietary quinones but it may also contribute to the reduction of vitamin K for its involvement in blood coagulation. In addition, the same reaction that QR1 uses in the detoxification of quinones, activates some compounds making them cytotoxic. Since QR1 is elevated in many tumors, this property has encouraged the development of chemotherapeutic compounds that become cytotoxic after reduction by QR1. The structures of QR1 alone, and in complexes with substrates, inhibitors, and chemotherapeutic prodrugs, combined with biochemical and mechanistic studies have provided invaluable insight into the mechanism of the enzyme as well as suggestions for the improvements of the chemotherapeutic prodrugs. Similar information is beginning to accumulate about another related enzyme, QR2.

  8. Analysing inequalities in Germany a structured additive distributional regression approach

    CERN Document Server

    Silbersdorff, Alexander

    2017-01-01

    This book seeks new perspectives on the growing inequalities that our societies face, putting forward Structured Additive Distributional Regression as a means of statistical analysis that circumvents the common problem of analytical reduction to simple point estimators. This new approach allows the observed discrepancy between the individuals’ realities and the abstract representation of those realities to be explicitly taken into consideration using the arithmetic mean alone. In turn, the method is applied to the question of economic inequality in Germany.

  9. Three-Dimensional Structure and Catalytic Mechanism of Cytosine Deaminase

    Energy Technology Data Exchange (ETDEWEB)

    R Hall; A Fedorov; C Xu; E Fedorov; S Almo; F Raushel

    2011-12-31

    Cytosine deaminase (CDA) from E. coli is a member of the amidohydrolase superfamily. The structure of the zinc-activated enzyme was determined in the presence of phosphonocytosine, a mimic of the tetrahedral reaction intermediate. This compound inhibits the deamination of cytosine with a K{sub i} of 52 nM. The zinc- and iron-containing enzymes were characterized to determine the effect of the divalent cations on activation of the hydrolytic water. Fe-CDA loses activity at low pH with a kinetic pKa of 6.0, and Zn-CDA has a kinetic pKa of 7.3. Mutation of Gln-156 decreased the catalytic activity by more than 5 orders of magnitude, supporting its role in substrate binding. Mutation of Glu-217, Asp-313, and His-246 significantly decreased catalytic activity supporting the role of these three residues in activation of the hydrolytic water molecule and facilitation of proton transfer reactions. A library of potential substrates was used to probe the structural determinants responsible for catalytic activity. CDA was able to catalyze the deamination of isocytosine and the hydrolysis of 3-oxauracil. Large inverse solvent isotope effects were obtained on k{sub cat} and k{sub cat}/K{sub m}, consistent with the formation of a low-barrier hydrogen bond during the conversion of cytosine to uracil. A chemical mechanism for substrate deamination by CDA was proposed.

  10. Synthesis of lever-blade dampers with enhanced mechanical structure

    Directory of Open Access Journals (Sweden)

    Igor I. Sydorenko

    2015-03-01

    Full Text Available Since the torsion bar represents just an elastic element, the energy dissipation in suspensions problem is highly relevant for its application. Currently in quality of a dissipation device in torsion suspension are used the hydraulic dampers with movable members reciprocating translational motion respectively to the housing or lever-type hydraulic shock absorbers of piston and vane types, with the movable member’s rotational movement respectively to the housing. These dampers are implementing only throttle-valve performance type, associated with these devices’ functional capacities and depending on design constraints. The paper presents a synthesis of innovative lever-blade dampers, whose performance is not related to the value of working chambers inner pressure. Their essential peculiarity relates to the mechanical control loop presence in the structure that determines a close relationship between the performance and the value of the shock absorber movable element displacement relatively to the body. In the process of synthesis carried out tested are the appropriate methods, built on the basis of technical systems’ modeling with modified kinematic graphs. The synthesis results are shown in the form of two structurally implemented samples. Performed is a comparative analysis of the samples with their basic performance determining.

  11. Neurobiological mechanisms of treatment resistant depression: Functional, structural and molecular imaging studies

    NARCIS (Netherlands)

    de Kwaasteniet, B.P.

    2015-01-01

    This thesis investigated the neurobiological mechanisms of TRD using functional, structural and molecular imaging studies. First the neurobiological mechanisms of MDD were investigated and revealed decreased functional connectivity between the ventral and dorsal network. Thereafter, structural

  12. A hybrid deterministic-probabilistic approach to model the mechanical response of helically arranged hierarchical strands

    Science.gov (United States)

    Fraldi, M.; Perrella, G.; Ciervo, M.; Bosia, F.; Pugno, N. M.

    2017-09-01

    Very recently, a Weibull-based probabilistic strategy has been successfully applied to bundles of wires to determine their overall stress-strain behaviour, also capturing previously unpredicted nonlinear and post-elastic features of hierarchical strands. This approach is based on the so-called ;Equal Load Sharing (ELS); hypothesis by virtue of which, when a wire breaks, the load acting on the strand is homogeneously redistributed among the surviving wires. Despite the overall effectiveness of the method, some discrepancies between theoretical predictions and in silico Finite Element-based simulations or experimental findings might arise when more complex structures are analysed, e.g. helically arranged bundles. To overcome these limitations, an enhanced hybrid approach is proposed in which the probability of rupture is combined with a deterministic mechanical model of a strand constituted by helically-arranged and hierarchically-organized wires. The analytical model is validated comparing its predictions with both Finite Element simulations and experimental tests. The results show that generalized stress-strain responses - incorporating tension/torsion coupling - are naturally found and, once one or more elements break, the competition between geometry and mechanics of the strand microstructure, i.e. the different cross sections and helical angles of the wires in the different hierarchical levels of the strand, determines the no longer homogeneous stress redistribution among the surviving wires whose fate is hence governed by a ;Hierarchical Load Sharing; criterion.

  13. Triadic conceptual structure of the maximum entropy approach to evolution.

    Science.gov (United States)

    Herrmann-Pillath, Carsten; Salthe, Stanley N

    2011-03-01

    Many problems in evolutionary theory are cast in dyadic terms, such as the polar oppositions of organism and environment. We argue that a triadic conceptual structure offers an alternative perspective under which the information generating role of evolution as a physical process can be analyzed, and propose a new diagrammatic approach. Peirce's natural philosophy was deeply influenced by his reception of both Darwin's theory and thermodynamics. Thus, we elaborate on a new synthesis which puts together his theory of signs and modern Maximum Entropy approaches to evolution in a process discourse. Following recent contributions to the naturalization of Peircean semiosis, pointing towards 'physiosemiosis' or 'pansemiosis', we show that triadic structures involve the conjunction of three different kinds of causality, efficient, formal and final. In this, we accommodate the state-centered thermodynamic framework to a process approach. We apply this on Ulanowicz's analysis of autocatalytic cycles as primordial patterns of life. This paves the way for a semiotic view of thermodynamics which is built on the idea that Peircean interpretants are systems of physical inference devices evolving under natural selection. In this view, the principles of Maximum Entropy, Maximum Power, and Maximum Entropy Production work together to drive the emergence of information carrying structures, which at the same time maximize information capacity as well as the gradients of energy flows, such that ultimately, contrary to Schrödinger's seminal contribution, the evolutionary process is seen to be a physical expression of the Second Law. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  14. Dispersion of speckle suppression efficiency for binary DOE structures: spectral domain and coherent matrix approaches.

    Science.gov (United States)

    Lapchuk, Anatoliy; Prygun, Olexandr; Fu, Minglei; Le, Zichun; Xiong, Qiyuan; Kryuchyn, Andriy

    2017-06-26

    We present the first general theoretical description of speckle suppression efficiency based on an active diffractive optical element (DOE). The approach is based on spectral analysis of diffracted beams and a coherent matrix. Analytical formulae are obtained for the dispersion of speckle suppression efficiency using different DOE structures and different DOE activation methods. We show that a one-sided 2D DOE structure has smaller speckle suppression range than a two-sided 1D DOE structure. Both DOE structures have sufficient speckle suppression range to suppress low-order speckles in the entire visible range, but only the two-sided 1D DOE can suppress higher-order speckles. We also show that a linear shift 2D DOE in a laser projector with a large numerical aperture has higher effective speckle suppression efficiency than the method using switching or step-wise shift DOE structures. The generalized theoretical models elucidate the mechanism and practical realization of speckle suppression.

  15. Mechanical behavior of nanotwinned materials – experimental and computational approaches

    Energy Technology Data Exchange (ETDEWEB)

    Yavas, Hakan [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    Nanotwinned materials exhibit high strength combined with excellent thermal stability, making them potentially attractive for numerous applications. When deposited on cold substrates at high rates, for example, silver films can be prepared with a high-density of growth twins with an average twin boundary spacing of less than 10 nm. These films show a very strong {111} texture, with the twin boundaries being perpendicular to the growth direction. The origins of superior mechanical and thermal properties of nanotwinned materials, however, are not yet fully understood and need further improvements.

  16. Secondary degradation mechanisms - A theoretical approach to remedial actions

    Energy Technology Data Exchange (ETDEWEB)

    Rudling, P. [Advanced Nuclear Technology, Uppsala (Sweden)

    2001-04-01

    A failed BWR fuel rod may degrade either by developing long axial cracks and/or transversal breaks. The tendency of failed BWR rods to degrade depends on the fuel design and reactor operation of the failed rod. The knowledge of the degradation mechanisms may be used to develop secondary degradation resistant fuel and/or to mitigate the degradation tendencies during operation of failed fuel. Literature data from three different categories has been analysed: Open literature data on failed BWR rods that have and have not degraded; Data generated in experimental reactors where primary failures have been simulated either by drilling a hole in the intact cladding before the test or by letting water/steam into the rod from a capsule connected to the otherwise intact rod. In addition data related to hydrogen production in the pellet-cladding gap in a failed rod and the subsequent hydrogen ingress and finally the hydride formation in zirconium alloys; Open literature data out-of-pile material tests to improve the knowledge of the secondary degradation mechanisms. To get an idea of the degradation mechanisms one may first characterise the failed fuel rods in commercial BWRs that form axial splits, transversal breaks and also failed rods that do not degrade at all. Considering axial splits in BWRs, they seem to occur mostly for failed fuel rods with intermediate and high burnups, i.e., in rods with small pellet-cladding gaps, that have been subjected to a power ramp. Such data indicate that the axial crack propagation rate is larger than 0.16 mm/h. It is also clear that the axial cracks formed in commercial reactors show mostly brittle cleavage features at reactor operating temperature even though the hydrogen content in the fuel cladding is low, 150-300 wtppm. Macroscopically the brittle cleavage fractures are characterised by: a fracture surface that is perpendicular to the main tensile stress direction i.e., in the cladding circumferential direction, no or very little clad

  17. Structural lifetime, reliability and risk analysis approaches for power plant components and systems

    Energy Technology Data Exchange (ETDEWEB)

    Cronvall, O.

    2011-12-15

    Lifetime, reliability and risk analysis methods and applications for structural systems and components of power plants are discussed in this thesis. These analyses involve many fields of science, such as structural mechanics, fracture mechanics, probability mathematics, material science and fluid mechanics. An overview of power plant environments and a description of the various degradation mechanisms damaging the power plant systems and components are presented first. This is followed with a description of deterministic structural analysis methods, covering e.g. structural mechanics and fracture mechanics based analysis methods as well as the disadvantages of the deterministic analysis approach. Often, physical probabilistic methods are based on deterministic analysis methods with the modification that one or more of the model parameters are considered as probabilistically distributed. Several probabilistic analysis procedures are presented, e.g. Monte Carlo Simulation (MCS) and importance sampling. Description of probabilistic analysis methods covers both physical and statistical approaches. When the system/component failure probabilities are combined with knowledge of failure consequences, it is possible to assess system/component risks. Several risk analysis methods are presented as well as some limitations and shortcomings concerning to them. Modelling methods for various degradation (or ageing) mechanisms are presented. These methods are needed in the lifetime analyses of structural systems and components of power plants. In general, the lifetime analyses in question necessitate a thorough knowledge of structural properties, loads, the relevant degradation mechanisms and prevailing environmental conditions. The nature of degradation models of structural systems/components can be deterministic, probabilistic or a combination of these two types. Degradation models of all these kinds are presented here. Some important risk analysis applications are described

  18. Module Degradation Mechanisms Studied by a Multi-Scale Approach

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, Steve; Al-Jassim, Mowafak; Hacke, Peter; Harvey, Steven P.; Jiang, Chun-Sheng; Gerber, Andreas; Guthrey, Harvey; Moutinho, Helio; Albin, David; To, Bobby; Tynan, Jerry; Moseley, John; Aguiar, Jeffery; Xiao, Chuanxiao; Waddle, John; Nardone, Marco

    2016-11-21

    A key pathway to meeting the Department of Energy SunShot 2020 goals is to reduce financing costs by improving investor confidence through improved photovoltaic (PV) module reliability. A comprehensive approach to further understand and improve PV reliability includes characterization techniques and modeling from module to atomic scale. Imaging techniques, which include photoluminescence, electroluminescence, and lock-in thermography, are used to locate localized defects responsible for module degradation. Small area samples containing such defects are prepared using coring techniques and are then suitable and available for microscopic study and specific defect modeling and analysis.

  19. Structural Approaches to Sequence Evolution Molecules, Networks, Populations

    CERN Document Server

    Bastolla, Ugo; Roman, H. Eduardo; Vendruscolo, Michele

    2007-01-01

    Structural requirements constrain the evolution of biological entities at all levels, from macromolecules to their networks, right up to populations of biological organisms. Classical models of molecular evolution, however, are focused at the level of the symbols - the biological sequence - rather than that of their resulting structure. Now recent advances in understanding the thermodynamics of macromolecules, the topological properties of gene networks, the organization and mutation capabilities of genomes, and the structure of populations make it possible to incorporate these key elements into a broader and deeply interdisciplinary view of molecular evolution. This book gives an account of such a new approach, through clear tutorial contributions by leading scientists specializing in the different fields involved.

  20. A Structural and Molecular Approach for the Study Biomarkers

    Science.gov (United States)

    Thomas-Keprta, Kathie; Vali, Hojatollah; Sears, S. Kelly; Roh, Yul

    2001-01-01

    Investigation of the nucleation and growth of crystals in both abiotic and biotic systems is critical to seemingly diverse disciplines of geology, biology, environmental science, and astrobiology. While there are abundant studies devoted to the determination of the structure and composition of inorganic crystals, as well as to the development of thermodynamic and kinetic models, it is only recently that research efforts have been directed towards understanding mineralization in biological systems (i.e., biomineralization). Biomineralization refers to the processes by which living organisms form inorganic solids. Studies of the processes of biomineralization under low temperature aqueous conditions have focused primarily on magnetite forming bacteria and shell forming marine organisms. Many of the biological building materials consist of inorganic minerals (calcium carbonate, calcium phosphate, silica or iron oxide) intricately combined with organic polymers (like proteins). More recently, efforts have been undertaken to explore the nature of biological activities in ancient rocks. In the absence of well-preserved microorganisms or genetic material required for the polmerase chain reaction (PCR) method in molecular phylogenetic studies, using biominerals as biomarkers offers an alternative approach for the recognition of biogenic activity in both terrestrial and extraterrestrial environments. The primary driving force in biomineralization is the interaction between organic and inorganic phases. Thus, the investigation of the ultrastructure and the nature of reactions at the molecular level occurring at the interface between inorganic and organic phases is essential to understanding the processes leading to the nucleation and growth of crystals. It is recognized that crystal surfaces can serve as the substrate for the organization of organic molecules that lead to the formation of polymers and other complex organic molecules, and in discussions of the origins of life

  1. Constraint Logic Programming approach to protein structure prediction

    Directory of Open Access Journals (Sweden)

    Fogolari Federico

    2004-11-01

    Full Text Available Abstract Background The protein structure prediction problem is one of the most challenging problems in biological sciences. Many approaches have been proposed using database information and/or simplified protein models. The protein structure prediction problem can be cast in the form of an optimization problem. Notwithstanding its importance, the problem has very seldom been tackled by Constraint Logic Programming, a declarative programming paradigm suitable for solving combinatorial optimization problems. Results Constraint Logic Programming techniques have been applied to the protein structure prediction problem on the face-centered cube lattice model. Molecular dynamics techniques, endowed with the notion of constraint, have been also exploited. Even using a very simplified model, Constraint Logic Programming on the face-centered cube lattice model allowed us to obtain acceptable results for a few small proteins. As a test implementation their (known secondary structure and the presence of disulfide bridges are used as constraints. Simplified structures obtained in this way have been converted to all atom models with plausible structure. Results have been compared with a similar approach using a well-established technique as molecular dynamics. Conclusions The results obtained on small proteins show that Constraint Logic Programming techniques can be employed for studying protein simplified models, which can be converted into realistic all atom models. The advantage of Constraint Logic Programming over other, much more explored, methodologies, resides in the rapid software prototyping, in the easy way of encoding heuristics, and in exploiting all the advances made in this research area, e.g. in constraint propagation and its use for pruning the huge search space.

  2. Mechanical characterization and structural assessment of biocomposites for construction

    Science.gov (United States)

    Christian, Sarah Jane

    The objective of this dissertation is to assess whether or not two particular biocomposite materials, made from hemp fabric and cellulose acetate or polyhydroxybutyrate matrices, are capable of being used for structural and/or construction purposes within in the construction and building industry. The objective of this dissertation was addressed by conducting research to meet the following three goals: (1) to measure the basic mechanical properties of hemp/cellulose acetate and hemp/PHB biocomposites and evaluate if they suitable for use in construction applications, (2) to determine how quickly moisture diffuses into the biocomposite materials and how the moisture affects the mechanical behavior, and (3) to determine how well simple models can predict behavior of structural scale laminates in tension and flexure using biocomposite ply behavior. Compression molding was used to manufacturing the biocomposites from hemp fabric and the themoplastic matrices: cellulose acetate and polyhydroxybutyrate. Four methods for determining the fiber volume fraction were evaluated, and the dissolution method, using different solvents for each matrix type, was used to determine the fiber volume fraction for each composite plate manufactured. Both types of biocomposite were tested in tension, compression, shear, and flexure and the measured properties were compared to wood and engineered wood products to assess whether the biocomposite properties are suitable for use in the construction industry. The biocomposites were conditioned in a humid environment to determine the rate of moisture diffusion into the materials. Then saturated specimens and specimens that were saturated and then dried were tested in tension to evaluate how moisture absorption affects the mechanical behavior of the biocomposites. Finally, simple models of laminate behavior based on laminate plate theory were evaluated to determine if ply level behavior could be used to predict structural scale laminate behavior

  3. Direct vs 2-stage approaches to structured motif finding

    Directory of Open Access Journals (Sweden)

    Federico Maria

    2012-08-01

    Full Text Available Abstract Background The notion of DNA motif is a mathematical abstraction used to model regions of the DNA (known as Transcription Factor Binding Sites, or TFBSs that are bound by a given Transcription Factor to regulate gene expression or repression. In turn, DNA structured motifs are a mathematical counterpart that models sets of TFBSs that work in concert in the gene regulations processes of higher eukaryotic organisms. Typically, a structured motif is composed of an ordered set of isolated (or simple motifs, separated by a variable, but somewhat constrained number of “irrelevant” base-pairs. Discovering structured motifs in a set of DNA sequences is a computationally hard problem that has been addressed by a number of authors using either a direct approach, or via the preliminary identification and successive combination of simple motifs. Results We describe a computational tool, named SISMA, for the de-novo discovery of structured motifs in a set of DNA sequences. SISMA is an exact, enumerative algorithm, meaning that it finds all the motifs conforming to the specifications. It does so in two stages: first it discovers all the possible component simple motifs, then combines them in a way that respects the given constraints. We developed SISMA mainly with the aim of understanding the potential benefits of such a 2-stage approach w.r.t. direct methods. In fact, no 2-stage software was available for the general problem of structured motif discovery, but only a few tools that solved restricted versions of the problem. We evaluated SISMA against other published tools on a comprehensive benchmark made of both synthetic and real biological datasets. In a significant number of cases, SISMA outperformed the competitors, exhibiting a good performance also in most of the cases in which it was inferior. Conclusions A reflection on the results obtained lead us to conclude that a 2-stage approach can be implemented with many advantages over direct

  4. Methods for automated semantic definition of manufacturing structures (mBOM) in mechanical engineering companies

    Science.gov (United States)

    Stekolschik, Alexander, Prof.

    2017-10-01

    The bill of materials (BOM), which involves all parts and assemblies of the product, is the core of any mechanical or electronic product. The flexible and integrated management of engineering (Engineering Bill of Materials [eBOM]) and manufacturing (Manufacturing Bill of Materials [mBOM]) structures is the key to the creation of modern products in mechanical engineering companies. This paper presents a method framework for the creation and control of e- and, especially, mBOM. The requirements, resulting from the process of differentiation between companies that produce serialized or engineered-to-order products, are considered in the analysis phase. The main part of the paper describes different approaches to fully or partly automated creation of mBOM. The first approach is the definition of part selection rules in the generic mBOM templates. The mBOM can be derived from the eBOM for partly standardized products by using this method. Another approach is the simultaneous use of semantic rules, options, and parameters in both structures. The implementation of the method framework (selection of use cases) in a standard product lifecycle management (PLM) system is part of the research.

  5. Fluid-structure interaction including volumetric coupling with homogenised subdomains for modeling respiratory mechanics.

    Science.gov (United States)

    Yoshihara, Lena; Roth, Christian J; Wall, Wolfgang A

    2017-04-01

    In this article, a novel approach is presented for combining standard fluid-structure interaction with additional volumetric constraints to model fluid flow into and from homogenised solid domains. The proposed algorithm is particularly interesting for investigations in the field of respiratory mechanics as it enables the mutual coupling of airflow in the conducting part and local tissue deformation in the respiratory part of the lung by means of a volume constraint. In combination with a classical monolithic fluid-structure interaction approach, a comprehensive model of the human lung can be established that will be useful to gain new insights into respiratory mechanics in health and disease. To illustrate the validity and versatility of the novel approach, three numerical examples including a patient-specific lung model are presented. The proposed algorithm proves its capability of computing clinically relevant airflow distribution and tissue strain data at a level of detail that is not yet achievable, neither with current imaging techniques nor with existing computational models. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  6. In vivo monitoring of structural and mechanical changes of tissue scaffolds by multi-modality imaging.

    Science.gov (United States)

    Park, Dae Woo; Ye, Sang-Ho; Jiang, Hong Bin; Dutta, Debaditya; Nonaka, Kazuhiro; Wagner, William R; Kim, Kang

    2014-09-01

    Degradable tissue scaffolds are implanted to serve a mechanical role while healing processes occur and putatively assume the physiological load as the scaffold degrades. Mechanical failure during this period can be unpredictable as monitoring of structural degradation and mechanical strength changes at the implant site is not readily achieved in vivo, and non-invasively. To address this need, a multi-modality approach using ultrasound shear wave imaging (USWI) and photoacoustic imaging (PAI) for both mechanical and structural assessment in vivo was demonstrated with degradable poly(ester urethane)urea (PEUU) and polydioxanone (PDO) scaffolds. The fibrous scaffolds were fabricated with wet electrospinning, dyed with indocyanine green (ICG) for optical contrast in PAI, and implanted in the abdominal wall of 36 rats. The scaffolds were monitored monthly using USWI and PAI and were extracted at 0, 4, 8 and 12 wk for mechanical and histological assessment. The change in shear modulus of the constructs in vivo obtained by USWI correlated with the change in average Young's modulus of the constructs ex vivo obtained by compression measurements. The PEUU and PDO scaffolds exhibited distinctly different degradation rates and average PAI signal intensity. The distribution of PAI signal intensity also corresponded well to the remaining scaffolds as seen in explant histology. This evidence using a small animal abdominal wall repair model demonstrates that multi-modality imaging of USWI and PAI may allow tissue engineers to noninvasively evaluate concurrent mechanical stiffness and structural changes of tissue constructs in vivo for a variety of applications. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Dynamical mechanism of atrial fibrillation: A topological approach

    Science.gov (United States)

    Marcotte, Christopher D.; Grigoriev, Roman O.

    2017-09-01

    While spiral wave breakup has been implicated in the emergence of atrial fibrillation, its role in maintaining this complex type of cardiac arrhythmia is less clear. We used the Karma model of cardiac excitation to investigate the dynamical mechanisms that sustain atrial fibrillation once it has been established. The results of our numerical study show that spatiotemporally chaotic dynamics in this regime can be described as a dynamical equilibrium between topologically distinct types of transitions that increase or decrease the number of wavelets, in general agreement with the multiple wavelets' hypothesis. Surprisingly, we found that the process of continuous excitation waves breaking up into discontinuous pieces plays no role whatsoever in maintaining spatiotemporal complexity. Instead, this complexity is maintained as a dynamical balance between wave coalescence—a unique, previously unidentified, topological process that increases the number of wavelets—and wave collapse—a different topological process that decreases their number.

  8. Mechanisms of Cellular Proteostasis: Insights from Single-Molecule Approaches

    Science.gov (United States)

    Bustamante, Carlos J.; Kaiser, Christian M.; Maillard, Rodrigo A.; Goldman, Daniel H.; Wilson, Christian A.M.

    2015-01-01

    Cells employ a variety of strategies to maintain proteome homeostasis. Beginning during protein biogenesis, the translation machinery and a number of molecular chaperones promote correct de novo folding of nascent proteins even before synthesis is complete. Another set of molecular chaperones helps to maintain proteins in their functional, native state. Polypeptides that are no longer needed or pose a threat to the cell, such as misfolded proteins and aggregates, are removed in an efficient and timely fashion by ATP-dependent proteases. In this review, we describe how applications of single-molecule manipulation methods, in particular optical tweezers, are shedding new light on the molecular mechanisms of quality control during the life cycles of proteins. PMID:24895851

  9. Experimental approach on the collapse mechanism of CFRP composite tubes

    Science.gov (United States)

    Kim, Y. N.; Im, K. H.; Park, J. W.; Yang, I. Y.

    2001-04-01

    This study is to investigate the energy absorption characteristics of CFRP(Carbon-Fiber Reinforced Plastics) tubes on static and dynamic tests. Axial static compression tests have been carried out using the static testing machine(Shin-gang buckling testing machine) and dynamic compression tests have been utilized using an vertical crushing testing machine. When such tubes are subjected to crushing loads, the response is complex and depends on the interaction between the different mechanisms that could control the crushing process. The collapse characteristics and energy absorption have been examined for various tubes. Energy absorption of the tubes are increased as changes in the lay-up which may increase the modulus of tubes. The results have been varied significantly as a function of ply orientation and interlaminar number. In general, the stacking sequence [0/90] CFRP tubes absorbed more energy than the [15/-15] CFRP tubes.

  10. Complement involvement in periodontitis: molecular mechanisms and rational therapeutic approaches

    Science.gov (United States)

    Hajishengallis, George; Maekawa, Tomoki; Abe, Toshiharu; Hajishengallis, Evlambia; Lambris, John D.

    2015-01-01

    The complement system is a network of interacting fluid-phase and cell surface-associated molecules that trigger, amplify, and regulate immune and inflammatory signaling pathways. Dysregulation of this finely balanced network can destabilize host-microbe homeostasis and cause inflammatory tissue damage. Evidence from clinical and animal model-based studies suggests that complement is implicated in the pathogenesis of periodontitis, a polymicrobial community-induced chronic inflammatory disease that destroys the tooth-supporting tissues. This review discusses molecular mechanisms of complement involvement in the dysbiotic transformation of the periodontal microbiome and the resulting destructive inflammation, culminating in loss of periodontal bone support. These mechanistic studies have additionally identified potential therapeutic targets. In this regard, interventional studies in preclinical models have provided proof-of-concept for using complement inhibitors for the treatment of human periodontitis. PMID:26306443

  11. Quantum mechanical approaches to in silico enzyme characterization and drug design

    Energy Technology Data Exchange (ETDEWEB)

    Nilmeier, J P; Fattebert, J L; Jacobson, M P; Kalyanaraman, C

    2012-01-17

    The astonishing, exponentially increasing rates of genome sequencing has led to one of the most significant challenges for the biological and computational sciences in the 21st century: assigning the likely functions of the encoded proteins. Enzymes represent a particular challenge, and a critical one, because the universe of enzymes is likely to contain many novel functions that may be useful for synthetic biology, or as drug targets. Current approaches to protein annotation are largely based on bioinformatics. At the simplest level, this annotation involves transferring the annotations of characterized enzymes to related sequences. In practice, however, there is no simple, sequence based criterion for transferring annotations, and bioinformatics alone cannot propose new enzymatic functions. Structure-based computational methods have the potential to address these limitations, by identifying potential substrates of enzymes, as we and others have shown. One successful approach has used in silico 'docking' methods, more commonly applied in structure-based drug design, to identify possible metabolite substrates. A major limitation of this approach is that it only considers substrate binding, and does not directly assess the potential of the enzyme to catalyze a particular reaction using a particular substrate. That is, substrate binding affinity is necessary but not sufficient to assign function. A reaction profile is ultimately what is needed for a more complete quantitative description of function. To address this rather fundamental limitation, they propose to use quantum mechanical methods to explicitly compute transition state barriers that govern the rates of catalysis. Although quantum mechanical, and mixed quantum/classical (QM/MM), methods have been used extensively to investigate enzymatic reactions, the focus has been primarily on elucidating complex reaction mechanisms. Here, the key catalytic steps are known, and they use these methods quantify

  12. Theoretical assessment of image analysis: statistical vs structural approaches

    Science.gov (United States)

    Lei, Tianhu; Udupa, Jayaram K.

    2003-05-01

    Statistical and structural methods are two major approaches commonly used in image analysis and have demonstrated considerable success. The former is based on statistical properties and stochastic models of the image and the latter utilizes geometric and topological models. In this study, Markov random field (MRF) theory/model based image segmentation and Fuzzy Connectedness (FC) theory/Fuzzy connected objeect delineation are chosen as the representatives for these two approaches, respectively. The comparative study is focused on their theoretical foundations and main operative procedures. The MRF is defined on a lattice and the associated neighborhood system and is based on the Markov property. The FC method is defined on a fuzzy digital space and is based on fuzzy relations. Locally, MRF is characterized by potentials of cliques, and FC is described by fuzzy adjacency and affinity relations. Globally, MRF is characterized by Gibbs distribution, and FC is described by fuzzy connectedness. The task of MRF model based image segmentation is toe seek a realization of the embedded MRF through a two-level operation: partitioning and labeling. The task of FC object delineation is to extract a fuzzy object from a given scene, through a two-step operation: recognition and delineation. Theoretical foundations which underly statistical and structural approaches and the principles of the main operative procedures in image segmentation by these two approaches demonstrate more similarities than differences between them. Two approaches can also complement each other, particularly in seed selection, scale formation, affinity and object membership function design for FC and neighbor set selection and clique potential design for MRF.

  13. Emergent Structural Mechanisms for High-Density Collective Motion Inspired by Human Crowds

    Science.gov (United States)

    Bottinelli, Arianna; Sumpter, David T. J.; Silverberg, Jesse L.

    2016-11-01

    Collective motion of large human crowds often depends on their density. In extreme cases like heavy metal concerts and black Friday sales events, motion is dominated by physical interactions instead of conventional social norms. Here, we study an active matter model inspired by situations when large groups of people gather at a point of common interest. Our analysis takes an approach developed for jammed granular media and identifies Goldstone modes, soft spots, and stochastic resonance as structurally driven mechanisms for potentially dangerous emergent collective motion.

  14. CubeSat mechanical design: creating low mass and durable structures

    Science.gov (United States)

    Fiedler, Gilbert; Straub, Jeremy

    2017-05-01

    This paper considers the mechanical design of a low-mass, low-cost spacecraft for use in a multi-satellite sensing constellation. For a multi-spacecraft mission, aggregated small mass and cost reductions can have significant impact. One approach to mass reduction is to make cuts into the structure, removing material. Stress analysis is used to determine the level of material reduction possible. Focus areas for this paper include determining areas to make cuts to ensure that a strong shape remains, while considering the comparative cost and skill level of each type of cut. Real-world results for a CubeSat and universally applicable analysis are presented.

  15. Study of structural-mechanical properties of the ointment base

    Directory of Open Access Journals (Sweden)

    V. V. Rudenko

    2013-06-01

    Full Text Available The ENTRY. For the local treatment of surgical wounds basis of a medicine plays an important role in ensuring its therapeutic effect. Ointment framework depends on adequate frequency of applications, pharmacokinetics, therapeutic effect and absence/presence of side effects. Unjustifiable selected the basis of a medicinal product may cause not only the increase or reduction of the actions of the active substance, but also a total absence of it. The AIM of the WORK was to develop composition and technology of production of combined emulsion of a medicine for the treatment of surgical wounds that meet the modern medical-biological requirements. MATERIALS AND METHODS OF RESEARCH. Rheological studies carried out with the help of rotary viscometer with coaxial cylinders «Rheotest-2» (Germany. For the study took the hinge of a pilot sample. RESULTS AND THEIR DISCUSSION. Based on the biomedical requirements to create a combination of soft drugs for the treatment of wound healing we conducted research to establish ointments emulsion based on first order. As emulsifier of the first kind were used twin-80 and stearic acid, and emulsifier of the second kind - monostearat glycerin. For the comparative analysis was taken a comprehensive emulsifier No.1. It is established, that the use of a complex of emulsifiers stearic acid, emulsifier No.1 the highest structural-mechanical parameters have emulsion with the ratio of surface-active substances of 2.5 % and 5.5%, respectively. With the increase in the stearic acid emulsion was increase in the rheological parameters of the model for all shear rates. Also the composition of model samples at different ratios of emulsifier No.1 and the twin-80. Determined that the maximum value rheological parameters observed in the ratio of: emulsifier No.1-twin-80 (1:7. With the increase in the emulsions quantity of emulsifier No.1 rheological parameters increases sharply for all speeds of the shift. This non-linear dependence

  16. About the Genetic Mechanisms of Apatites: A Survey on the Methodological Approaches

    Directory of Open Access Journals (Sweden)

    Linda Pastero

    2017-08-01

    Full Text Available Apatites are properly considered as a strategic material owing to the broad range of their practical uses, primarily biomedical but chemical, pharmaceutical, environmental and geological as well. The apatite group of minerals has been the subject of a huge number of papers, mainly devoted to the mass crystallization of nanosized hydroxyapatite (or carboapatite as a scaffold for osteoinduction purposes. Many wet and dry methods of synthesis have been proposed. The products have been characterized using various techniques, from the transmission electron microscopy to many spectroscopic methods like IR and Raman. The experimental approach usually found in literature allows getting tailor made micro- and nano- crystals ready to be used in a wide variety of fields. Despite the wide interest in synthesis and characterization, little attention has been paid to the relationships between bulk structure and corresponding surfaces and to the role plaid by surfaces on the mechanisms involved during the early stages of growth of apatites. In order to improve the understanding of their structure and chemical variability, close attention will be focused on the structural complexity of hydroxyapatite (HAp, on the richness of its surfaces and their role in the interaction with the precursor phases, and in growth kinetics and morphology.

  17. Structural controls and mechanisms of diffusion in natural silicate melts

    Science.gov (United States)

    Henderson, P.; Nolan, J.; Cunningham, G. C.; Lowry, R. K.

    1985-04-01

    The diffusion properties of Na, Cs, Ba, Fe and Eu ions have been determined experimentally for a pantellerite melt and of these ions plus Li, Mn and Co in pitchstone melt, using the radiotracer residual-activity method, and narrow platinum capillaries, over the temperature range 1,200 1,400° C. In addition, Eu diffusion in a basaltic and an andesitic melt was determined. Diffusion of all cations follows an Arrhenius relationship, activation energy values being high for diffusion in the pantellerite melt (e.g. Eu: 100 kcal mol-1) except in the case of Na (24.3 kcal mol-1). Activation energies of diffusion in the pitchstone melt are similar to values recorded earlier for andesitic and basaltic melts. The new data are used, along with previously published data for diffusion in other composition melts, to examine the compositional and structural controls on diffusion. The range of diffusivities shows a marked change with melt composition; over two orders of magnitude for a basaltic melt, and nearly four orders for a pantellerite melt (both at 1,300° C). Diffusivity of all cations (except Li and Na) correlates positively with the proportion of network modifying cations. In the case of Li and Na the correlation is negative but the diffusivity of these ions correlates positively with the proportion of Na or of Na + K ions in the bulk melt. Diffusion behaviour in the pantellerite melt departs from the relationships shown by the data for other melt compositions, which could be partly explained by trivalent ions (such as Fe) occupying network forming positions. The diffusivity of alkali metal ions is strongly dependent on ionic radius, but this is not the case with the divalent and trivalent ions; diffusivity of these ions remains relatively constant with change in radius but decreases with increase in ionic charge. A compensation diagram shows four distinct but parallel trends for the majority of the cations in four melt types but the data for Li and Na plot on a separate

  18. Mechanical properties and structure of magnesium alloy AS31

    Directory of Open Access Journals (Sweden)

    A. Hanus

    2008-07-01

    Full Text Available Contemporary materials should possess high mechanical properties, physical and chemical, as well as technological ones, to ensure long and reliable use. The non-ferrous metals alloys used nowadays, including the magnesium alloys, meet the above-mentioned requirements and expectations regarding the contemporary materials.Magnesium alloys are primarily used in aeronautical and automobile industry in wide variety of structural characteristics because of their favorable combination of tensile strength (160 to 365 MPa, elastic modulus (45 GPa, and low density (1 740 kg/m3, which is two-thirds that of aluminum. Magnesium alloys have high strength-to-weight ratio (tensile strength/density, comparable to those of other structural metals. [1-6]Knowledge of the relaxation properties of metal materials at high temperatures is necessary for the verification of susceptibility of castings to the creation of defects during the production process. Temperature limits of materials where highest tension values are generated may be detected with tensile tests under high temperatures. The generated tensions in the casting are a cause of the creation and development of defects. At acoustic emission (hereinafter called the "AE" use, tensile tests at high temperatures may, among other things, be used for analysis of the AE signal sources and set, in more detail, the temperature limit of elastic-plastic deformations existence in the material under examination. The results of the temperature drop where tension at casting cooling is generated or its release at heating are basic data for controlled cooling mode (and temperature of casting knocking out of the form as well as necessary for the thermal mode for the casting tension reduction. [7-9]Knowledge of elastic-plastic properties at elevated temperatures is often important for complex evaluation of magnesium alloys. Objective of the work was focused on determination of changes of elastic-plastic properties of magnesium

  19. Unraveling the Molecular Mechanisms Underlying the Nasopharyngeal Bacterial Community Structure

    Directory of Open Access Journals (Sweden)

    Wouter A. A. de Steenhuijsen Piters

    2016-03-01

    Full Text Available The upper respiratory tract is colonized by a diverse array of commensal bacteria that harbor potential pathogens, such as Streptococcus pneumoniae. As long as the local microbial ecosystem—also called “microbiome”—is in balance, these potentially pathogenic bacterial residents cause no harm to the host. However, similar to macrobiological ecosystems, when the bacterial community structure gets perturbed, potential pathogens can overtake the niche and cause mild to severe infections. Recent studies using next-generation sequencing show that S. pneumoniae, as well as other potential pathogens, might be kept at bay by certain commensal bacteria, including Corynebacterium and Dolosigranulum spp. Bomar and colleagues are the first to explore a specific biological mechanism contributing to the antagonistic interaction between Corynebacterium accolens and S. pneumoniae in vitro [L. Bomar, S. D. Brugger, B. H. Yost, S. S. Davies, K. P. Lemon, mBio 7(1:e01725-15, 2016, doi:10.1128/mBio.01725-15]. The authors comprehensively show that C. accolens is capable of hydrolyzing host triacylglycerols into free fatty acids, which display antipneumococcal properties, suggesting that these bacteria might contribute to the containment of pneumococcus. This work exemplifies how molecular epidemiological findings can lay the foundation for mechanistic studies to elucidate the host-microbe and microbial interspecies interactions underlying the bacterial community structure. Next, translation of these results to an in vivo setting seems necessary to unveil the magnitude and importance of the observed effect in its natural, polymicrobial setting.

  20. Multiple Approaches to Characterizing Pore Structure in Natural Rock

    Science.gov (United States)

    Hu, Q.; Dultz, S.; Hamamoto, S.; Ewing, R. P.

    2012-12-01

    Microscopic characteristics of porous media - pore shape, pore-size distribution, and pore connectivity - control fluid flow and chemical transport, and are important in hydrogeological studies of rock formations in the context of energy, environmental, and water resources management. This presentation discusses various approaches to investigating pore structure of rock, with a particular focus on the Barnett Shale in north Texas used for natural gas production. Approaches include imbibition, tracer diffusion, porosimetry (MIP, vapor adsorption/desorption isotherms, NMR cyroporometry), and imaging (μ-tomography, Wood's metal impregnation, FIB/SEM). Results show that the Barnett Shale pores are predominantly in the nm size range, with a measured median pore-throat diameter of 6.5 nm. But small pore size is not the major contributor to low gas recovery; rather, the low gas diffusivity appears to be caused by low pore connectivity. Chemical diffusion in sparsely-connected pore spaces is not well described by classical Fickian behavior; anomalous behavior is suggested by percolation theory, and confirmed by results of imbibition tests. Our evolving complementary approaches, with their several advantages and disadvantages, provide a rich toolbox for tackling the pore structure characteristics in the Barnett Shale and other natural rocks.

  1. Structural deformation upon protein-protein interaction: A structural alphabet approach

    Science.gov (United States)

    Martin, Juliette; Regad, Leslie; Lecornet, Hélène; Camproux, Anne-Claude

    2008-01-01

    Background In a number of protein-protein complexes, the 3D structures of bound and unbound partners significantly differ, supporting the induced fit hypothesis for protein-protein binding. Results In this study, we explore the induced fit modifications on a set of 124 proteins available in both bound and unbound forms, in terms of local structure. The local structure is described thanks to a structural alphabet of 27 structural letters that allows a detailed description of the backbone. Using a control set to distinguish induced fit from experimental error and natural protein flexibility, we show that the fraction of structural letters modified upon binding is significantly greater than in the control set (36% versus 28%). This proportion is even greater in the interface regions (41%). Interface regions preferentially involve coils. Our analysis further reveals that some structural letters in coil are not favored in the interface. We show that certain structural letters in coil are particularly subject to modifications at the interface, and that the severity of structural change also varies. These information are used to derive a structural letter substitution matrix that summarizes the local structural changes observed in our data set. We also illustrate the usefulness of our approach to identify common binding motifs in unrelated proteins. Conclusion Our study provides qualitative information about induced fit. These results could be of help for flexible docking. PMID:18307769

  2. Territorial developments based on graffiti: A statistical mechanics approach

    Science.gov (United States)

    Barbaro, Alethea B. T.; Chayes, Lincoln; D'Orsogna, Maria R.

    2013-01-01

    We study the well-known sociological phenomenon of gang aggregation and territory formation through an interacting agent system defined on a lattice. We introduce a two-gang Hamiltonian model where agents have red or blue affiliation but are otherwise indistinguishable. In this model, all interactions are indirect and occur only via graffiti markings, on-site as well as on nearest neighbor locations. We also allow for gang proliferation and graffiti suppression. Within the context of this model, we show that gang clustering and territory formation may arise under specific parameter choices and that a phase transition may occur between well-mixed, possibly dilute configurations and well separated, clustered ones. Using methods from statistical mechanics, we study the phase transition between these two qualitatively different scenarios. In the mean-fields rendition of this model, we identify parameter regimes where the transition is first or second order. In all cases, we have found that the transitions are a consequence solely of the gang to graffiti couplings, implying that direct gang to gang interactions are not strictly necessary for gang territory formation; in particular, graffiti may be the sole driving force behind gang clustering. We further discuss possible sociological-as well as ecological-ramifications of our results.

  3. ARPEL's approach : Kyoto Protocol: Clean Development Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Bocanegra, J. [PEMEX, Mexico City (Mexico)

    2000-07-01

    ARPEL's (Regional Association of Oil and Natural Gas Companies in Latin America and the Carribean) interest in clean development mechanisms is described. Several uncertainties related to the Kyoto Protocol and the CDM were addressed, such as the science behind the climate change phenomena, the impact on oil demand, the cost of emission reduction to the oil industry and the 'additionality' criteria. Relative benefits of participating in CDM projects by member companies of ARPEL were examined, with due regard to the fact that Latin American countries are not now required to reduce emissions. Some actions that individual companies in ARPEL could take to consider investing in CDM projects were also reviewed. With reference to PEMEX (Petroleos Mexicanos), the speaker explained the PEMEX view of the climate change issue, how it is integrated into the company's sustainable development strategy, and how CDM could become an important means to accessing the financial and technology support needed to implement CDM projects. An industrial prototype project that PEMEX could implement to reduce its carbon dioxide emissions was also described as an indication of PEMEX's capacity to contribute towards mitigating global climate change.

  4. Investigation of structure formation mechanism of a mesoporous ZSM-5 zeolite by mesoscopic simulation

    Science.gov (United States)

    Ren, Yanqun; Liu, Baoyu; Kiryutina, Tatyana; Xi, Hongxia; Qian, Yu

    2015-02-01

    Amphiphilic surfactant molecules have a profound influence in directing zeolite crystallization, while the self-assembly process between the functionalized surfactant and aluminosilicate species is the key factor in determining the structure of zeolites. However, such a complex process is extremely difficult to be characterized experimentally. A novel mesoporous ZSM-5 zeolite with hexagonal mesostructures and crystalline microporous frameworks has been synthesized in our previous work. In present research, dissipative particle dynamics (DPD), a mesoscopic simulation method, has been used to investigate the self-assembly process of a surfactant/tetraethylorthosilicate (TEOS)/water system in order to explore the structure formation mechanism of a mesoporous ZSM-5 zeolite. The simulation results show that under a certain composition, the specially designed bifunctional triquaternary ammonium-type surfactant and TEOS can form spherical core-shell micelles. The core (inner section) of a spherical micelle is occupied by hydrophobic beads, while the shell (outer section) is formed by hydrophilic beads. Besides, an ordered, uniform mesophase can be formed under a constant shear rate and transformed into mesoscale structure. The simulation results are consistent with the corresponding experimental results. Overall, the DPD simulation is a valuable tool to investigate the porogenic mechanism of surfactants. The present approach may open a window for investigating the formation mechanism of mesoporous zeolites that involves the surfactant-driven synthesis process.

  5. A new characterization approach for studying relationships between microstructure and creep damage mechanisms of uranium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Iltis, X., E-mail: xaviere.iltis@cea.fr [CEA, DEN, DEC, Cadarache, 13108 Saint-Paul-Lez-Durance (France); Ben Saada, M. [CEA, DEN, DEC, Cadarache, 13108 Saint-Paul-Lez-Durance (France); Laboratoire d' Etudes des Microstructures et de Mécanique des Matériaux (LEM3), CNRS UMR 7239, Université de Lorraine, Ile du Saulcy, 57045 Metz Cedex 1 (France); Mansour, H.; Gey, N.; Hazotte, A.; Maloufi, N. [Laboratoire d' Etudes des Microstructures et de Mécanique des Matériaux (LEM3), CNRS UMR 7239, Université de Lorraine, Ile du Saulcy, 57045 Metz Cedex 1 (France)

    2016-06-15

    Four batches of UO{sub 2} pellets were studied comparatively, before and after creep tests, to evaluate a characterization methodology aimed to determine the links between microstructure and damage mechanisms induced by compressive creep of uranium dioxide at 1500 °C. They were observed by means of scanning electron microscopy (SEM) coupled with image analysis, to quantify their fabrication porosity and the occurrence of inter-granular cavities after creep, and electron back scattered diffraction (EBSD), especially to characterize sub-structures development associated with plastic deformation. Electron channeling contrast imaging (ECCI) was also applied to evidence dislocations, at an exploratory stage, on one of the deformed pellets. This approach helped to identify and quantify microstructural differences between batches. Their as-fabricated microstructures differed in terms of grain size and fabrication porosity distribution. The pellets which had the lowest strain rates were those with the largest number of intra-granular pores, regardless of their grain size. They also exhibited less numerous sub-boundaries within the grains. These first results clearly illustrate the benefit of systematic examinations of crept UO{sub 2} pellets at a mesoscopic scale, by SEM and EBSD, to study their deformation process. In addition, ECCI appears as a powerful tool to evidence local dislocations arrangements, in bulk samples. Even if the sampling was limited, the results of this study also tend to indicate that the intra-granular pores population, resulting from the manufacturing of the samples by powder metallurgy, could have a significant influence on the UO{sub 2} viscoplastic deformation mechanisms. - Highlights: • Four different UO{sub 2} pellets batches are microstructurally compared, before and after compression creep tests. • Development of sub-boundaries within the original grains, in crept samples, is quantified by EBSD. • Links are observed between the intra

  6. Modified Skvor/Starr approach in the mechanical-thermal noise analysis of condenser microphone.

    Science.gov (United States)

    Tan, Chee Wee; Miao, Jianmin

    2009-11-01

    Simple analytical expressions of mechanical resistance, such as those formulated by Skvor/Starr, are widely used to describe the mechanical-thermal noise performance of a condenser microphone. However, the Skvor/Starr approach does not consider the location effect of acoustic holes in the backplate and overestimates the total equivalent mechanical resistance and mechanical-thermal noise. In this paper, a modified form of the Skvor/Starr approach is proposed to address this hole location dependent effect. A mode shape factor, which consists of the zero order Bessel and modified Bessel functions, is included in Skvor's mechanical resistance formulation to consider the effect of the hole location in the backplate. With reference to two B&K microphones, the theoretical results of the A-weighted mechanical-thermal noise obtained by the modified Skvor/Starr approach are in good agreements with those reported experimental ones.

  7. Structural mechanisms of formation of adiabatic shear bands

    Directory of Open Access Journals (Sweden)

    Mikhail Sokovikov

    2016-10-01

    size of grains is ~300nm. Rotational deformation modes give rise to the high angular disorientations of grains. The development of plastic shear instability regions has been simulated numerically. For this purpose, we use a recently developed theory, in which the influence of microshears on the deformation properties of materials has been studied by the methods of statistical physics and thermodynamics of irreversible processes. The results of theoretical and experimental studies suggest that one of the mechanisms of the plastic shear instability and localization of plastic strain at high-velocity perforation is related to structural and kinetic transitions in microshear ensembles

  8. Structure, bonding, and catecholase mechanism of copper bispidine complexes.

    Science.gov (United States)

    Comba, Peter; Martin, Bodo; Muruganantham, Amsaveni; Straub, Johannes

    2012-09-03

    Oxygen activation by copper(I) complexes with tetra- or pentadentate mono- or dinucleating bispidine ligands is known to lead to unusually stable end-on-[{(bispidine)Cu}(2)(O(2))](2+) complexes (bispidines are methyl-2,4-bis(2-pyridin-yl)-3,7-diazabicyclo-[3.3.1]-nonane-9-diol-1,5-dicarboxylates); catecholase activity of these dinuclear Cu(II/I) systems has been demonstrated experimentally, and the mechanism has been thoroughly analyzed. The present density functional theory (DFT) based study provides an analysis of the electronic structure and catalytic activity of [{(bispidine)Cu}(2)(O(2))](2+). As a result of the unique square pyramidal coordination geometry, the d(x(2)-y(2)) ground state leads to an unusual σ/π bonding pattern, responsible for the stability of the peroxo complex and the observed catecholase activity with a unique mechanistic pathway. The oxidation of catechol to ortho-quinone (one molecule per catalytic cycle and concomitant formation of one equivalent of H(2)O(2)) is shown to occur via an associative, stepwise pathway. The unusual stability of the end-on-peroxo-dicopper(II) complex and isomerization to copper(II) complexes with chelating catecholate ligands, which inhibit the catalytic cycle, are shown to be responsible for an only moderate catalytic activity.

  9. Design for the Structure and the Mechanics of Moballs

    Science.gov (United States)

    Davoodi, Faranak; Davoudi, Farhooman

    2012-01-01

    The moball is envisioned to be a round, self-powered, and wind-driven multifunctioning sensor used in the Gone with the Wind ON-Mars (GOWON) [http://www.lpi.usra.edu/meetings/ marsconcepts2012/pdf/4238.pdf]: A Wind-Driven Networked System of Mobile sensors on Mars. The moballs would have sensing, processing, and communication capabilities. The moballs would perform in situ detection of key environmental elements such as vaporized water, trace gases, wind, dust, clouds, light and UV exposure, temperature, as well as minerals of interest, possible biosignatures, surface magnetic and electric fields, etc. The embedded various low-power micro instruments could include a Multispectral Microscopic Imager (to detect various minerals), a compact curved focal plane array camera (UV/Vis/NIR) with a large field of view, a compact UV/Visible spectrometer, a micro-weather station, etc. The moballs could communicate with each other and an orbiter. Their wind- or gravity-driven rolling movement could be used to harvest and store electric energy. They could also generate and store energy using the sunlight, when available, and the diurnal temperature variations on Mars. The moballs would be self-aware of their (and their neighbors ) positions, energy storage, and memory availability; they would have processing power and could intelligently cooperate with neighboring moballs by distributing tasks, sharing data, and fusing information. The major advantages of using the wind-driven and spherical moball network over rovers or other fixed sensor webs to explore Mars would be: (1) moballs could explore a much larger expanse of Mars in a much faster fashion, (2) they could explore the difficult terrains such as steep slopes and sand dunes, and (3) they would be self-energy- generating and could work together and move around autonomously. The challenge in designing the structure and the mechanics of the moball would be that it should be sturdy enough to withstand the impact of its initial

  10. Ab initio guided design of structural materials with superior mechanical properties

    Science.gov (United States)

    Neugebauer, Jorg

    Modern engineering materials have evolved from simple single phase materials to nano-composites that employ dynamic mechanisms down to the atomistic scale. The structural and thermodynamic complexity of this new generation of structural materials presents a challenge to their design since experimental trial-and-error approaches as successfully used in the past are often no longer feasible. Ab initio approaches provide perfect tools to new design routes but face serious challenges: Finite temperature free energies of the various phases are almost degenerate, requiring advanced theoretical formalisms that accurately capture all relevant entropic contributions. In addition, their hierarchical nature with respect to length and time makes them challenging for any atomistic approach. Combining accurate first principles calculations with mesoscopic/macroscopic thermodynamic and/or kinetic concepts allows us now to address these issues and to determine free energies and derived thermodynamic quantities with a hitherto unprecedented accuracy. The flexibility and the predictive power of these approaches but also their present limitations will be discussed for examples ranging from modern ultra-high strength steels to light weight metallic alloys.

  11. Hierarchical structure of biological systems: a bioengineering approach.

    Science.gov (United States)

    Alcocer-Cuarón, Carlos; Rivera, Ana L; Castaño, Victor M

    2014-01-01

    A general theory of biological systems, based on few fundamental propositions, allows a generalization of both Wierner and Berthalanffy approaches to theoretical biology. Here, a biological system is defined as a set of self-organized, differentiated elements that interact pair-wise through various networks and media, isolated from other sets by boundaries. Their relation to other systems can be described as a closed loop in a steady-state, which leads to a hierarchical structure and functioning of the biological system. Our thermodynamical approach of hierarchical character can be applied to biological systems of varying sizes through some general principles, based on the exchange of energy information and/or mass from and within the systems.

  12. The input-output relationship approach to structural identifiability analysis.

    Science.gov (United States)

    Bearup, Daniel J; Evans, Neil D; Chappell, Michael J

    2013-02-01

    Analysis of the identifiability of a given model system is an essential prerequisite to the determination of model parameters from physical data. However, the tools available for the analysis of non-linear systems can be limited both in applicability and by computational intractability for any but the simplest of models. The input-output relation of a model summarises the input-output structure of the whole system and as such provides the potential for an alternative approach to this analysis. However for this approach to be valid it is necessary to determine whether the monomials of a differential polynomial are linearly independent. A simple test for this property is presented in this work. The derivation and analysis of this relation can be implemented symbolically within Maple. These techniques are applied to analyse classical models from biomedical systems modelling and those of enzyme catalysed reaction schemes. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  13. Fractal approach to description of the auroral structure

    Directory of Open Access Journals (Sweden)

    B. V. Kozelov

    2003-09-01

    Full Text Available During the last two decades the fractal geometry has become a powerful approach to different physical problems. It is also found to be useful in image processing applications. A numerical quantity that characterizes the auroral structure would be important for auroral investigations. We try to obtain the quantity on the basis of the box-counting dimension of the line of equal intensity. In this paper we present results of some tests of our procedure by simulated images. The possibilities that the approach gives us for analysis of the auroral dynamics are discussed. The auroral dynamics during several typical auroral events are considered.Key words. Ionosphere (auroral ionosphere – Magnetospheric physics (magnetosphere-ionosphere interactions – Space plasma physics (nonlinear phenomena

  14. Structured Sparsity Regularization Approach to the EEG Inverse Problem

    DEFF Research Database (Denmark)

    Montoya-Martinez, Jair; Artes-Rodriguez, Antonio; Hansen, Lars Kai

    2012-01-01

    Localization of brain activity involves solving the EEG inverse problem, which is an undetermined ill-posed problem. We propose a novel approach consisting in estimating, using structured sparsity regularization techniques, the Brain Electrical Sources (BES) matrix directly in the spatio......-temporal source space. We use proximal splitting optimization methods, which are efficient optimization techniques, with good convergence rates and with the ability to handle large nonsmooth convex problems, which is the typical scenario in the EEG inverse problem. We have evaluated our approach under a simulated...... scenario, consisting in estimating a synthetic BES matrix with 5124 sources. We report results using ℓ1 (LASSO), ℓ1/ℓ2 (Group LASSO) and ℓ1 + ℓ1/ℓ2 (Sparse Group LASSO) regularizers....

  15. The hybrid thermography approach applied to architectural structures

    Science.gov (United States)

    Sfarra, S.; Ambrosini, D.; Paoletti, D.; Nardi, I.; Pasqualoni, G.

    2017-07-01

    This work contains an overview of infrared thermography (IRT) method and its applications relating to the investigation of architectural structures. In this method, the passive approach is usually used in civil engineering, since it provides a panoramic view of the thermal anomalies to be interpreted also thanks to the use of photographs focused on the region of interest (ROI). The active approach, is more suitable for laboratory or indoor inspections, as well as for objects having a small size. The external stress to be applied is thermal, coming from non-natural apparatus such as lamps or hot / cold air jets. In addition, the latter permits to obtain quantitative information related to defects not detectable to the naked eyes. Very recently, the hybrid thermography (HIRT) approach has been introduced to the attention of the scientific panorama. It can be applied when the radiation coming from the sun, directly arrives (i.e., possibly without the shadow cast effect) on a surface exposed to the air. A large number of thermograms must be collected and a post-processing analysis is subsequently applied via advanced algorithms. Therefore, an appraisal of the defect depth can be obtained passing through the calculation of the combined thermal diffusivity of the materials above the defect. The approach is validated herein by working, in a first stage, on a mosaic sample having known defects while, in a second stage, on a Church built in L'Aquila (Italy) and covered with a particular masonry structure called apparecchio aquilano. The results obtained appear promising.

  16. The tuberculosis structural genomics consortium: a structural genomics approach to drug discovery.

    Science.gov (United States)

    Musa, Tracey L; Ioerger, Thomas R; Sacchettini, James C

    2009-01-01

    Structural genomics is changing the way we study and understand biological systems, providing insight into the biology and life cycle of an organism at the molecular level through determination of protein structures. Structural genomics can be a particularly useful tool in the study of infectious diseases, especially to facilitate the development of new chemotherapeutics by providing a structural foundation for drug discovery. The Tuberculosis Structural Genomics Consortium (TBSGC) is applying a structural genomics approach to solving the structures of biologically and medically important proteins in the pathogenic bacterium Mycobacterium tuberculosis, adding to the scientific knowledge base essential for developing novel and effective antitubercular drugs. Tuberculosis (TB) has been declared a global health emergency by the World Health Organization (WHO). With the rise in the number of multidrug resistant (MDR) and extensively drug resistant (XDR) TB strains, the need for more effective TB treatments has become urgent. In contrast to other structural genomics projects, the TBSGC specifically prioritizes proteins based on their potential as drug targets. We describe the consortium's high-throughput (HT) structure determination pipeline that enables an efficient distribution of resources while also incorporating knowledge from several scientific fields. The success of this pipeline is illustrated in the number of successful structure solutions as demonstrated in the case studies presented in this chapter. Copyright 2009 Elsevier Inc. All rights reserved.

  17. Structural Health Monitoring of an Advanced Composite Aircraft Structure Using a Modal Approach

    NARCIS (Netherlands)

    Ooijevaar, T.H.; Loendersloot, Richard; Warnet, Laurent; Akkerman, Remko; de Boer, Andries; Chang, F.K.; Guemes, A.

    2011-01-01

    The experimental feasibility of a vibration based approach to identify damage in an advanced composite aircraft structure is presented. Analysis showed that the Modal Strain Energy Damage Index (MSE-DI) algorithm can be used to detect and localize single and multiple damage scenarios by using modal

  18. Fault Tolerant Control for Civil Structures Based on LMI Approach

    Directory of Open Access Journals (Sweden)

    Chunxu Qu

    2013-01-01

    Full Text Available The control system may lose the performance to suppress the structural vibration due to the faults in sensors or actuators. This paper designs the filter to perform the fault detection and isolation (FDI and then reforms the control strategy to achieve the fault tolerant control (FTC. The dynamic equation of the structure with active mass damper (AMD is first formulated. Then, an estimated system is built to transform the FDI filter design problem to the static gain optimization problem. The gain is designed to minimize the gap between the estimated system and the practical system, which can be calculated by linear matrix inequality (LMI approach. The FDI filter is finally used to isolate the sensor faults and reform the FTC strategy. The efficiency of FDI and FTC is validated by the numerical simulation of a three-story structure with AMD system with the consideration of sensor faults. The results show that the proposed FDI filter can detect the sensor faults and FTC controller can effectively tolerate the faults and suppress the structural vibration.

  19. Protein mechanics: a route from structure to function

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    Why do proteins have such varied and complicated structures and how are these structures related to the functions that each protein must perform? Almost 50 years after the first protein structures were solved (Kendrew et al 1958; Perutz 1960), these questions are still very much part of molecular biology. While structures ...

  20. Structural Properties and Mechanical Durability of Extruded Fish Feed

    DEFF Research Database (Denmark)

    Haubjerg, Anders Fjeldbo; Veje, Christian; Jørgensen, Bo Nørregaard

    2015-01-01

    This article investigates the possible correlation between mechanical properties of fish feed pellets and their mechanical durability. Mechanical properties were obtained by texture profile analysis (TPA) and stress relaxation test (SRT) of different types of fish feed. The results were correlated...

  1. Structured Approach vs. Self-Paced Modular Approach in Teaching Trigonometry

    Directory of Open Access Journals (Sweden)

    Rodin M. Paspasan

    2015-12-01

    Full Text Available The study aimed to determine which approach in the teaching of Mathematics allowed students to achieve a higher mathematical performance and to establish the learning styles of the students to showed greater confidence on a written posttest - the self-paced modular approach or the structured lecture demonstration based approach. The instruments used in the study are Trigonometry Achievement Test (PTAT designed by the researcher and the Grasha - Reichmann Student Learning Style Survey. Hence. the result shows on the test of significant difference on the respondents learning styles and level of performance established independent learning conditions and demonstrate remarkably higher mathematical performance, respectively. In the light of the statistical analysis and the findings of the study, it could be generalized that SPMA made the students learning styles more independent because they prefer to work at their own pace. Hence, SPMA help them also improve their level of performance in relation to plane trigonometry regardless of their mathematical abilities compared to structured approach. Along these lines, the subsequent recommendations are presented for consideration: The teachers should use collective learning style inventories so that students remain interested throughout their mathematics course. And should use SPMA in teaching trigonometry and other disciplines in the field of mathematics.

  2. Structuring of composite hydrogel bioadhesives and its effect on properties and bonding mechanism.

    Science.gov (United States)

    Pinkas, Oded; Goder, Daniella; Noyvirt, Roni; Peleg, Sivan; Kahlon, Maayan; Zilberman, Meital

    2017-03-15

    Bioadhesives are polymeric hydrogels that can adhere to a tissue after crosslinking and are an essential element in nearly all surgeries worldwide. Several bioadhesives are commercially available. However, none of them are ideal. The main limitation of current tissue adhesives is the tradeoff between biocompatibility and mechanical strength, especially in wet hemorrhagic environments. Our novel bioadhesives are based on the natural polymers gelatin (coldwater fish) and alginate, crosslinked by carbodiimide (EDC). Two types of hemostatic agents with a layered silicate structure, montmorillonite (MMT) and kaolin, were loaded in order to improve the sealing ability in a hemorrhagic environment. The effect of the adhesive's components on its mechanical strength was studied by three different methods - burst strength, lap shear and compression. The viscosity, gelation time and structural features of the adhesive were also studied. A qualitative model that describes the effect of the bioadhesive's parameters on the cohesive and adhesive strength was developed. A formulation based on 400mg/mL gelatin, 10mg/mL alginate and 20mg/mL EDC was found as optimal, enabling a burst strength of 387mmHg. Incorporation of kaolin increased the burst strength by 25% due to microcomposite structuring, whereas MMT increased the burst strength by 50% although loaded in a smaller concentration, due to nano-structuring effects. This research clearly shows that the incorporation of kaolin and MMT in gelatin-alginate surgical sealants is a very promising novel approach for improving the bonding strength and physical properties of surgical sealants for use in hemorrhagic environments. The current manuscript focuses on novel bioadhesives, based on natural polymers and loaded with hemostatic agents with a layered silicate structure, in order to improve the sealing ability in hemorrhagic environment. Such composite bioadhesives have not been developed and studied before. The effect of the adhesive

  3. Dissipative structure of mechanically stimulated reaction; Kikaiteki reiki hanno ni okeru san`itsu kozo

    Energy Technology Data Exchange (ETDEWEB)

    Hida, M. [Okayama Univ., Okayama (Japan). Faculty of Engineering

    1994-12-20

    Recently various studies have been conducted concerning the state changes of materials obtained through mechanical alloying (MA) or mechano-chemical (MC) processing. What is noticeable is the quasi-steady state of almost all the materials obtained through various processes including MA and MC, and that the super cooling, supersaturating and high residue distortion realized under unbalanced conditions have not been clarified. In other words, the tracing capability to the external binding conditions is low. In this report, the appearance of the high temperature phase and high pressure phase obtained through MA or MC processing, the forming of amorphous, the mesomerism of the amorphous materials, the interesting phenomena generated by combination between the mechanical disturbance and chemical reactions were discussed with concrete examples, and a steady dissipative organization theory was approached from the viewpoint of dissipative structure development which is equal to the forming process of the quasi-steady phase. 34 refs., 2 figs.

  4. Structures and Mechanisms Design Concepts for Adaptive Deployable Entry Placement Technology

    Science.gov (United States)

    Yount, Bryan C.; Arnold, James O.; Gage, Peter J.; Mockelman, Jeffrey; Venkatapathy, Ethiraj

    2012-01-01

    System studies have shown that large deployable aerodynamic decelerators such as the Adaptive Deployable Entry and Placement Technology (ADEPT) concept can revolutionize future robotic and human exploration missions involving atmospheric entry, descent and landing by significantly reducing the maximum heating rate, total heat load, and deceleration loads experienced by the spacecraft during entry [1-3]. ADEPT and the Hypersonic Inflatable Aerodynamic Decelerator (HIAD) [4] share the approach of stowing the entry system in the shroud of the launch vehicle and deploying it to a much larger diameter prior to entry. The ADEPT concept provides a low ballistic coefficient for planetary entry by employing an umbrella-like deployable structure consisting of ribs, struts and a fabric cover that form an aerodynamic decelerator capable of undergoing hypersonic flight. The ADEPT "skin" is a 3-D woven carbon cloth that serves as a thermal protection system (TPS) and as a structural surface that transfers aerodynamic forces to the underlying ribs [5]. This paper focuses on design activities associated with integrating ADEPT components (cloth, ribs, struts and mechanisms) into a system that can function across all configurations and environments of a typical mission concept: stowed during launch, in-space deployment, entry, descent, parachute deployment and separation from the landing payload. The baseline structures and mechanisms were selected via trade studies conducted during the summer and fall of 2012. They are now being incorporated into the design of a ground test article (GTA) that will be fabricated in 2013. It will be used to evaluate retention of the stowed configuration in a launch environment, mechanism operation for release, deployment and locking, and static strength of the deployed decelerator. Of particular interest are the carbon cloth interfaces, underlying hot structure, (Advanced Carbon- Carbon ribs) and other structural components (nose cap, struts, and

  5. Emergence of Form from Function - Mechanical Engineering Approaches to Probe the Role of Stem Cell Mechanoadaptation in Sealing Cell Fate.

    Science.gov (United States)

    Knothe Tate, Melissa L; Gunning, Peter W; Sansalone, Vittorio

    2016-10-14

    Stem cell "mechanomics" refers to the effect of mechanical cues on stem cell and matrix biology, where cell shape and fate are intrinsic manifestations of form and function. Before specialization, the stem cell itself serves as a sensor and actuator; its structure emerges from its local mechanical milieu as the cell adapts over time. Coupling of novel spatiotemporal imaging and computational methods allows for linking of the energy of adaptation to the structure, biology and mechanical function of the cell. Cutting edge imaging methods enable probing of mechanisms by which stem cells' emergent anisotropic architecture and fate commitment occurs. A novel cell-scale model provides a mechanistic framework to describe stem cell growth and remodeling through mechanical feedback; making use of a generalized virtual power principle, the model accounts for the rate of doing work or the rate of using energy to effect the work. This coupled approach provides a basis to elucidate mechanisms underlying the stem cell's innate capacity to adapt to mechanical stimuli as well as the role of mechanoadaptation in lineage commitment. An understanding of stem cell mechanoadaptation is key to deciphering lineage commitment, during prenatal development, postnatal wound healing, and engineering of tissues.

  6. Probing the Structure of Quantum Mechanics : Nonlinearity, Nonlocality, Computation and Axiomatics

    CERN Document Server

    Durt, Thomas; Czachor, Marek

    2002-01-01

    During the last decade, scientists working in quantum theory have been engaging in promising new fields such as quantum computation and quantum information processing, and have also been reflecting on the possibilities of nonlinear behavior on the quantum level. These are challenging undertakings because (1) they will result in new solutions to important technical and practical problems that were unsolvable by the classical approaches (for example, quantum computers can calculate problems that are intractable if one uses classical computers); and (2) they open up new 'hard' problems of a fundamental nature that touch the foundation of quantum theory itself (for example, the contradiction between locality and nonlinearity and the interpretation of quantum computing as a universal process). In this book, one can distinguish two main streams of research to approach the just-mentioned problem field: (1) a theoretical structural part, which concentrates on the elaboration of a nonlinear quantum mechanics and the ...

  7. Morphological, Mechanical and Structural Characterization of Damselfly Wing

    Science.gov (United States)

    Talucdher, ABSM Rupan Ali

    The damselfly belongs to the same insect family as the dragonfly that inspired the development of Micro Air Vehicles (MAVs). Understanding the morphological, mechanical and structural properties of wings, veins and membranes of fly would provide guidelines to develop efficient MAVs. Lack of test methodologies inhibited the progress. The objective of this research was to develop the above methodologies and then measure the properties of veins, membranes and wings of damselflies. The research yielded four test methodologies: fluorescence spectroscopic analysis to map the morphology of vein; axial nanoindentation test to measure indentation properties; micro tension test to measure tensile properties of microscopic components; and a unique vibration test of wings to measure natural frequency, stiffness and air damping factor. Axial indentation test contrasts the transverse indentation used in the past, whose results were corrupted by surface roughness and flexibility of veins. Veins were found to be made of two layered, elliptical tubular members. The thickness of inner and outer layers was about 8 and 5 microm, respectively and corresponding indentation moduli were 8.42 and 16.00 GPa. The modulus of veins agreed with those of human bones. The tensile modulus and strength of veins ranged from 14 to 17 GPa and 232 to 285 MPa, respectively. The damselfly wing was found to vibrate under bending and torsional deformations, the natural frequency (in air) ranged from 130 to 178 Hz, the wing stiffness ranged from 0.18 to 0.30 N/m with the air damping ratio from 0.67 to 0.79. Pathway to develop a material of matching properties is also presented.

  8. Testing principle working mechanisms of the health action process approach for subjective physical age groups.

    Science.gov (United States)

    Wienert, Julian; Kuhlmann, Tim; Fink, Sebastian; Hambrecht, Rainer; Lippke, Sonia

    2016-01-01

    This study investigated differences in social-cognitive predictors and self-regulatory planning, as proposed by the health action process approach (HAPA), across three different subjective physical age groups for physical activity. With a cross-sectional design, 521 participants across the chronological age span from 25 to 86 years (M = 48.79; SD = 12.66) were separated into three groups: those who feel physically younger than they are in terms of chronological age, the same perceived and chronological age, and feeling physically older compared to their chronological age. Participants were assessed regarding their perceived vulnerability, outcome expectancies, general intentions, planning, self-efficacy, and stages of physical activity (non-intenders, intenders, and actors). Data were analysed via mean comparison and multigroup structural equation modelling. Mean differences for all but one construct were eminent in all groups, generally showing that those feeling physically younger also report better social-cognitive predictors of physical activity (e.g. lower perceived vulnerability) in comparison to those who feel the same age or older. The model showed that basic working mechanisms of the HAPA can be applied to all groups. With that, the results provide for the first time evidence that principle working mechanism of the HAPA can be applied to all subjective physical age groups. These may be used to tailor health promoting interventions according to participants' needs as a more suitable proxy than chronological age.

  9. Mechanisms of protein misfolding: Novel therapeutic approaches to protein-misfolding diseases

    Science.gov (United States)

    Salahuddin, Parveen; Siddiqi, Mohammad Khursheed; Khan, Sanaullah; Abdelhameed, Ali Saber; Khan, Rizwan Hasan

    2016-11-01

    In protein misfolding, protein molecule acquires wrong tertiary structure, thereby induces protein misfolding diseases. Protein misfolding can occur through various mechanisms. For instance, changes in environmental conditions, oxidative stress, dominant negative mutations, error in post-translational modifications, increase in degradation rate and trafficking error. All of these factors cause protein misfolding thereby leading to diseases conditions. Both in vitro and in vivo observations suggest that partially unfolded or misfolded intermediates are particularly prone to aggregation. These partially misfolded intermediates aggregate via the interaction with the complementary intermediates and consequently enhance oligomers formation that grows into fibrils and proto-fibrils. The amyloid fibrils for example, accumulate in the brain and central nervous system (CNS) as amyloid deposits in the Parkinson's disease (PD), Alzheimer's disease (AD), Prion disease and Amylo lateral Sclerosis (ALS). Furthermore, tau protein shows intrinsically disorder conformation; therefore its interaction with microtubule is impaired and this protein undergoes aggregation. This is also underlying cause of Alzheimers and other neurodegenerative diseases. Treatment of such misfolding maladies is considered as one of the most important challenges of the 21st century. Currently, several treatments strategies have been and are being discovered. These therapeutic interventions partly reversed or prevented the pathological state. More recently, a new approach was discovered, which employs nanobodies that targets multisteps in fibril formation pathway that may possibly completely cure these misfolding diseases. Keeping the above views in mind in the current review, we have comprehensively discussed the different mechanisms underlying protein misfolding thereby leading to diseases conditions and their therapeutic interventions.

  10. [Spectroscopic analysis of the crystallization mechanism of synthesized zeolite with XRD and FTIR approaches].

    Science.gov (United States)

    Fan, Chun-hui; Ma, Hong-rui; Hua, Li

    2012-04-01

    Zeolites were synthesized from fly ash using modified one-stage method. The changes in cation exchange capacity (CEC) and chemical elements of zeolite were investigated during the synthesis process to reveal the materials and elements transformation in solid-liquid system. The approaches of XRD, SEM and FTIR were used to indicate the crystallization characteristics and mechanism. The zeolite NaP1 was synthesized, and the CEC value reached to the maximum of 135 mmol/100g at 24 h. After the hydrothermal reaction for 12 h, the characteristic peak and metastable crystalline structure of zeolite NaP1 appeared, then the hydroxy sodalite products formed at 48 h. The crystallization process was the result of materials transformation: the elements of fly ash released into the liquid system for the melting effect of alkali solution, and the solid system played the role of skeleton in crystallization process, being the "source" and the "sink" of the reaction, respectively, and the achievements presented the crystallization mechanism of liquid-phase and solid-phase transformation.

  11. A Bayesian Approach to Social Structure Uncovers Cryptic Regulation of Group Dynamics in Drosophila melanogaster.

    Science.gov (United States)

    Foley, Brad R; Saltz, Julia B; Nuzhdin, Sergey V; Marjoram, Paul

    2015-06-01

    Understanding the mechanisms that give rise to social structure is central to predicting the evolutionary and ecological outcomes of social interactions. Modeling this process is challenging, because all individuals simultaneously behave in ways that shape their social environments--a process called social niche construction (SNC). In earlier work, we demonstrated that aggression acts as an SNC trait in fruit flies (Drosophila melanogaster), but the mechanisms of that process remained cryptic. Here, we analyze how individual social group preferences generate overall social structure. We use a combination of agent-based simulation and approximate Bayesian computation to fit models to empirical data. We confirm that genetic variation in aggressive behavior influences social group structure. Furthermore, we find that female decamping due to male behavior may play an underappreciated role in structuring social groups. Male-male aggression may sometimes destabilize groups, but it may also be an SNC behavior for shaping desirable groups for females. Density intensifies female social preferences; thus, the role of female behavior in shaping group structure may become more important at high densities. Our ability to model the ontogeny of group structure demonstrates the utility of the Bayesian model-based approach in social behavioral studies.

  12. "What matters most:" a cultural mechanism moderating structural vulnerability and moral experience of mental illness stigma.

    Science.gov (United States)

    Yang, Lawrence H; Chen, Fang-pei; Sia, Kathleen Janel; Lam, Jonathan; Lam, Katherine; Ngo, Hong; Lee, Sing; Kleinman, Arthur; Good, Byron

    2014-02-01

    To understand Chinese immigrants' experiences with mental illness stigma and mental health disparities, we integrate frameworks of 'structural vulnerability' and 'moral experience' to identify how interaction between structural discrimination and cultural engagements might shape stigma. Fifty Chinese immigrants, including 64% Fuzhounese immigrants who experienced particularly harsh socio-economical deprivation, from two Chinese bilingual psychiatric inpatient units in New York City were interviewed from 2006 to 2010 about their experiences of mental illness stigma. Interview questions were derived from 4 stigma measures, covering various life domains. Participants were asked to elaborate their rating of measure items, and thus provided open-ended, narrative data. Analysis of the narrative data followed a deductive approach, guided by frameworks of structural discrimination and "what matters most" - a cultural mechanism signifying meaningful participation in the community. After identifying initial coding classifications, analysis focused on the interface between the two main concepts. Results indicated that experiences with mental illness stigma were contingent on the degree to which immigrants were able to participate in work to achieve "what mattered most" in their cultural context, i.e., accumulation of financial resources. Structural vulnerability - being situated in an inferior position when facing structural discrimination - made access to affordable mental health services challenging. As such, structural discrimination increased healthcare spending and interfered with financial accumulation, often resulting in future treatment nonadherence and enforcing mental health disparities. Study participants' internalizing their structurally-vulnerable position further led to a depreciated sense of self, resulting in a reduced capacity to advocate for healthcare system changes. Paradoxically, the multi-layered structural marginalization experienced by Chinese

  13. Experience Transfer in Norwegian Oil and Gas Industry: Approaches and Organizational Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Aase, Karina

    1997-07-01

    The core aim of the study is to explore the concept of experience transfer in oil and gas industry, and how an oil company approaches this concept. The thesis consists of five papers which are combined in a general description entitled 'Experience transfer in Norwegian oil and gas industry: approaches and organizational mechanisms'. The first paper describes how organizational members perceive experience transfer, and then specifies the many organizational and structural barriers that have to be overcome to achieve efficient experience transfer. The second paper elaborates and assesses the organizational means an oil company implements to address experience transfer. The third paper describes a process of improving and using requirement and procedure handbooks for experience transfer. The fourth paper explores in more detail how the use of information technology influences experience transfer. And the fifth paper compares organizational members' perceptions of experience transfer means in an oil company and an engineering company involved in offshore development projects. Some of the papers are based upon the same data material. Therefore there are reiterations in parts of the contents, especially in the methodological sections.

  14. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms.

    Science.gov (United States)

    Ying, Jiali; Zhang, Ting; Tang, Meng

    2015-10-12

    Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR) modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR) studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests.

  15. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms

    Directory of Open Access Journals (Sweden)

    Jiali Ying

    2015-10-01

    Full Text Available Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests.

  16. The approach channel control structure at Arrow Lakes Generating Station

    Energy Technology Data Exchange (ETDEWEB)

    Stevenson, A. [Columbia Power Corp., Victoria, BC (Canada); Gemperline, G. [Franklin G. DeFazio Inc., Camano Island, WA (United States); Christison, K. [Northwest Hydraulic Consultants Ltd., Vancouver, BC (Canada); Zipparro, V. [MWH Americas Inc., Broomfield, CO (United States)

    2009-07-01

    In 1999, the Columbia Power Corporation partnered with Columbia Basin Trust and Klohn Crippen SNC Lavalin to develop a project to add generation capability to the Arrow Reservoir, the Arrow Lakes Generating Station (ALGS). Construction was completed in the spring of 2002. The hydroelectric development consists of a 185 MW two-unit powerhouse constructed 400 m downstream of the existing dam. Coordinated mathematical and physical model studies were conducted to design a 35 m wide by 9.4 m high approach channel control structure (ACCS) 200 m upstream of the ALGS. The purpose of the ACCS is to control water levels during abnormal and unexpected operations of the powerhouse and prevent uplift of the concrete channel lining. The discharge capacity of the submerged weir was determined by unsteady open channel modelling. Prototype observations following completion of the structure correlated well with simulated behaviour. Analytical methods were used to optimize flow over the ACCS in order to develop design parameters for the structure. The physical model verified potential ACCS impacts on powerhouse performance parameters. It showed that there would be some reduction in uniformity of the intake flow distribution and a small improvement in vorticity. The study also identified operation restrictions, such as discharge, head loss and rate of flow change restrictions. A series of modifications were considered in the design, such as weir location along the approach channel, crest height, shape of the weir, and future operational consideration. The minor increase in head loss resulted in approximately 2 per cent reduction in average annual energy generation. 16 figs.

  17. Integrated structural biology to unravel molecular mechanisms of protein-RNA recognition.

    Science.gov (United States)

    Schlundt, Andreas; Tants, Jan-Niklas; Sattler, Michael

    2017-04-15

    Recent advances in RNA sequencing technologies have greatly expanded our knowledge of the RNA landscape in cells, often with spatiotemporal resolution. These techniques identified many new (often non-coding) RNA molecules. Large-scale studies have also discovered novel RNA binding proteins (RBPs), which exhibit single or multiple RNA binding domains (RBDs) for recognition of specific sequence or structured motifs in RNA. Starting from these large-scale approaches it is crucial to unravel the molecular principles of protein-RNA recognition in ribonucleoprotein complexes (RNPs) to understand the underlying mechanisms of gene regulation. Structural biology and biophysical studies at highest possible resolution are key to elucidate molecular mechanisms of RNA recognition by RBPs and how conformational dynamics, weak interactions and cooperative binding contribute to the formation of specific, context-dependent RNPs. While large compact RNPs can be well studied by X-ray crystallography and cryo-EM, analysis of dynamics and weak interaction necessitates the use of solution methods to capture these properties. Here, we illustrate methods to study the structure and conformational dynamics of protein-RNA complexes in solution starting from the identification of interaction partners in a given RNP. Biophysical and biochemical techniques support the characterization of a protein-RNA complex and identify regions relevant in structural analysis. Nuclear magnetic resonance (NMR) is a powerful tool to gain information on folding, stability and dynamics of RNAs and characterize RNPs in solution. It provides crucial information that is complementary to the static pictures derived from other techniques. NMR can be readily combined with other solution techniques, such as small angle X-ray and/or neutron scattering (SAXS/SANS), electron paramagnetic resonance (EPR), and Förster resonance energy transfer (FRET), which provide information about overall shapes, internal domain

  18. Mechanics and properties of composed materials and structures

    CERN Document Server

    Öchsner, Andreas; Altenbach, Holm

    2014-01-01

    This volume details the latest trends in characterization and developments of composed materials and structures, including textile composites, sandwich plates, hollow sphere structures, reinforced concrete as well as classical fibre reinforced materials.

  19. How diverse are physics instructors’ attitudes and approaches to teaching undergraduate level quantum mechanics?

    Science.gov (United States)

    Siddiqui, Shabnam; Singh, Chandralekha

    2017-05-01

    Understanding instructors’ attitudes and approaches to teaching undergraduate-level quantum mechanics can be helpful in developing effective instructional tools to help students learn quantum mechanics. Here we discuss the findings from a survey in which 12 university faculty members reflected on various issues related to undergraduate-level quantum mechanics teaching and learning. Topics included faculty members’ thoughts on the goals of a college quantum mechanics course, general challenges in teaching the subject matter, students’ preparation for the course, views about foundational issues and the difficulty in teaching certain topics, reflection on their own learning of quantum mechanics when they were students versus how they teach it to their students and the extent to which they incorporate contemporary topics into their courses. The findings related to instructors’ attitudes and approaches discussed here can be useful in improving teaching and learning of quantum mechanics.

  20. A preferential attachment approach to community structure and the structure of communities

    CERN Document Server

    Young, Jean-Gabriel; Allard, Antoine; Dubé, Louis J

    2016-01-01

    We introduce an intuitive mechanism to describe both the emergence of community structure and the evolution of the internal structure of communities in social networks. Our idea is based on the simple assumption that each individual can, for every social group to which it belongs, develop connections and introduce new members. Complex behaviors emerge from opposing time scales for the activities of individuals and for the sum of individuals gathered in groups. We show how the resulting model reproduces behaviors observed in real social networks and in the anthropological theory known as Dunbar's number, i.e. the empirical observation of a maximal number of ties which an average individual can sustain within its social groups. Using this growth process, we organically reproduce the micro and mesoscopic structure of social networks. In so doing, we highlight two interesting properties of the community structure of social networks. First, strong correlations between the number of communities to which a node belo...

  1. Testing the Circular Structure of Human Values: A Meta-Analytical Structural Equation Modelling Approach

    Directory of Open Access Journals (Sweden)

    Holger Steinmetz

    2012-04-01

    Full Text Available Schwartz' theory of human values has found widespread interest in the social sciences. A central part of the theory is that the 10 proposed basic values (i.e., achievement, power, self-direction, hedonism, stimulation, benevolence, universalism, conformity, security, and tradition are arranged in a circular structure. The present study applies a meta-analytical structural equation modelling approach to test the circular structure. The model tested was the quasi-circumplex model, which is considered the most appropriate representation of the circular structure. Moreover, the study explores how far the circular structure varies with the used samples and methodological characteristics of the studies. The meta-analysis comprised 318 matrices with the correlations among the 10 values gathered from 88 studies and the European Social Survey (overall n = 251,239. To reduce heterogeneity across the matrices, cluster analysis was used to sort the matrices into eight clusters with a similar correlation profile and tested the circular structure in each cluster. The results showed that three clusters demonstrated a good fit with the data and an adequate match to the theoretically proposed structure. The clusters' cultural and methodological profiles indicate potential moderators of the circular structure which should be considered in future research.

  2. Structural versus matching estimation : Transmission mechanisms in Armenia

    NARCIS (Netherlands)

    Poghosyan, K.; Boldea, O.

    2013-01-01

    Opting for structural or reduced form estimation is often hard to justify if one wants to both learn about the structure of the economy and obtain accurate predictions. In this paper, we show that using both structural and reduced form estimates simultaneously can lead to more accurate policy

  3. Structural versus Matching Estimation : Transmission Mechanisms in Armenia

    NARCIS (Netherlands)

    Poghosyan, K.; Boldea, O.

    2011-01-01

    Opting for structural or reduced form estimation is often hard to justify if one wants to both learn about the structure of the economy and obtain accurate predictions. In this paper, we show that using both structural and reduced form estimates simultaneously can lead to more accurate policy

  4. Chemically stable and mechanically durable superamphiphobic aluminum surface with a micro/nanoscale binary structure.

    Science.gov (United States)

    Peng, Shan; Yang, Xiaojun; Tian, Dong; Deng, Wenli

    2014-09-10

    We developed a simple fabrication method to prepare a superamphiphobic aluminum surface. On the basis of a low-energy surface and the combination of micro- and nanoscale roughness, the resultant surface became super-repellent toward a wide range of liquids with surface tensions of 25.3-72.1 mN m(-1). The applied approach involved (1) the formation of an irregular microplateau structure on an aluminum surface, (2) the fabrication of a nanoplatelet structure, and (3) fluorination treatment. The chemical stability and mechanical durability of the superamphiphobic surface were evaluated in detail. The results demonstrated that the surface presented an excellent chemical stability toward cool corrosive liquids (HCl/NaOH solutions, 25 °C) and 98% concentrated sulfuric acid, hot liquids (water, HCl/NaOH solutions, 30-100 °C), solvent immersion, high temperature, and a long-term period. More importantly, the surface also exhibited robust mechanical durability and could withstand multiple-fold, finger-touch, intensive scratching by a sharp blade, ultrasonication treatment, boiling treatment in water and coffee, repeated peeling by adhesive tape, and even multiple abrasion tests under 500 g of force without losing superamphiphobicity. The as-prepared superamphiphobic surface was also demonstrated to have excellent corrosion resistance. This work provides a simple, cost-effective, and highly efficient method to fabricate a chemically stable and mechanically robust superamphiphobic aluminum surface, which can find important outdoor applications.

  5. Gelatin Scaffolds with Controlled Pore Structure and Mechanical Property for Cartilage Tissue Engineering.

    Science.gov (United States)

    Chen, Shangwu; Zhang, Qin; Nakamoto, Tomoko; Kawazoe, Naoki; Chen, Guoping

    2016-03-01

    Engineering of cartilage tissue in vitro using porous scaffolds and chondrocytes provides a promising approach for cartilage repair. However, nonuniform cell distribution and heterogeneous tissue formation together with weak mechanical property of in vitro engineered cartilage limit their clinical application. In this study, gelatin porous scaffolds with homogeneous and open pores were prepared using ice particulates and freeze-drying. The scaffolds were used to culture bovine articular chondrocytes to engineer cartilage tissue in vitro. The pore structure and mechanical property of gelatin scaffolds could be well controlled by using different ratios of ice particulates to gelatin solution and different concentrations of gelatin. Gelatin scaffolds prepared from ≥70% ice particulates enabled homogeneous seeding of bovine articular chondrocytes throughout the scaffolds and formation of homogeneous cartilage extracellular matrix. While soft scaffolds underwent cellular contraction, stiff scaffolds resisted cellular contraction and had significantly higher cell proliferation and synthesis of sulfated glycosaminoglycan. Compared with the gelatin scaffolds prepared without ice particulates, the gelatin scaffolds prepared with ice particulates facilitated formation of homogeneous cartilage tissue with significantly higher compressive modulus. The gelatin scaffolds with highly open pore structure and good mechanical property can be used to improve in vitro tissue-engineered cartilage.

  6. Computational modelling of the mechanics of trabecular bone and marrow using fluid structure interaction techniques.

    Science.gov (United States)

    Birmingham, E; Grogan, J A; Niebur, G L; McNamara, L M; McHugh, P E

    2013-04-01

    Bone marrow found within the porous structure of trabecular bone provides a specialized environment for numerous cell types, including mesenchymal stem cells (MSCs). Studies have sought to characterize the mechanical environment imposed on MSCs, however, a particular challenge is that marrow displays the characteristics of a fluid, while surrounded by bone that is subject to deformation, and previous experimental and computational studies have been unable to fully capture the resulting complex mechanical environment. The objective of this study was to develop a fluid structure interaction (FSI) model of trabecular bone and marrow to predict the mechanical environment of MSCs in vivo and to examine how this environment changes during osteoporosis. An idealized repeating unit was used to compare FSI techniques to a computational fluid dynamics only approach. These techniques were used to determine the effect of lower bone mass and different marrow viscosities, representative of osteoporosis, on the shear stress generated within bone marrow. Results report that shear stresses generated within bone marrow under physiological loading conditions are within the range known to stimulate a mechanobiological response in MSCs in vitro. Additionally, lower bone mass leads to an increase in the shear stress generated within the marrow, while a decrease in bone marrow viscosity reduces this generated shear stress.

  7. Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction

    Directory of Open Access Journals (Sweden)

    Chira Camelia

    2011-07-01

    Full Text Available Abstract Proteins are complex structures made of amino acids having a fundamental role in the correct functioning of living cells. The structure of a protein is the result of the protein folding process. However, the general principles that govern the folding of natural proteins into a native structure are unknown. The problem of predicting a protein structure with minimum-energy starting from the unfolded amino acid sequence is a highly complex and important task in molecular and computational biology. Protein structure prediction has important applications in fields such as drug design and disease prediction. The protein structure prediction problem is NP-hard even in simplified lattice protein models. An evolutionary model based on hill-climbing genetic operators is proposed for protein structure prediction in the hydrophobic - polar (HP model. Problem-specific search operators are implemented and applied using a steepest-ascent hill-climbing approach. Furthermore, the proposed model enforces an explicit diversification stage during the evolution in order to avoid local optimum. The main features of the resulting evolutionary algorithm - hill-climbing mechanism and diversification strategy - are evaluated in a set of numerical experiments for the protein structure prediction problem to assess their impact to the efficiency of the search process. Furthermore, the emerging consolidated model is compared to relevant algorithms from the literature for a set of difficult bidimensional instances from lattice protein models. The results obtained by the proposed algorithm are promising and competitive with those of related methods.

  8. Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction

    Science.gov (United States)

    2011-01-01

    Proteins are complex structures made of amino acids having a fundamental role in the correct functioning of living cells. The structure of a protein is the result of the protein folding process. However, the general principles that govern the folding of natural proteins into a native structure are unknown. The problem of predicting a protein structure with minimum-energy starting from the unfolded amino acid sequence is a highly complex and important task in molecular and computational biology. Protein structure prediction has important applications in fields such as drug design and disease prediction. The protein structure prediction problem is NP-hard even in simplified lattice protein models. An evolutionary model based on hill-climbing genetic operators is proposed for protein structure prediction in the hydrophobic - polar (HP) model. Problem-specific search operators are implemented and applied using a steepest-ascent hill-climbing approach. Furthermore, the proposed model enforces an explicit diversification stage during the evolution in order to avoid local optimum. The main features of the resulting evolutionary algorithm - hill-climbing mechanism and diversification strategy - are evaluated in a set of numerical experiments for the protein structure prediction problem to assess their impact to the efficiency of the search process. Furthermore, the emerging consolidated model is compared to relevant algorithms from the literature for a set of difficult bidimensional instances from lattice protein models. The results obtained by the proposed algorithm are promising and competitive with those of related methods. PMID:21801435

  9. Effect of Network Structure/Topology on Mechanical Properties of Crosslinked Polymers

    Science.gov (United States)

    Sharifi, Majid

    The interest in epoxy thermosetting polymers is widespread (e.g. Boeing 787 Dreamliner, windmill blades, automobiles, coatings, adhesives, etc.), and a demand still exists for improving toughness of these materials without degrading advantageous properties such as strength, modulus, and Tg. This study introduces novel approaches for improving the intrinsic mechanical characteristics of these polymers. The designed synthetic techniques focus on developing polymer materials with the same overall compositions but varying in network topologies, with distinct topological features in the size range of 5-50 nm, measured by SAXS and SEM. It was found that without altering chemical structure, the network topology of a dense thermoset can be engineered such that, under mechanical deformation, nano-cavities open and dissipate energy before rupturing covalent bonds, producing a tougher material without sacrificing strength, modulus, and even glass transition temperature. Modified structures also revealed higher resistance to fracture than the corresponding control structures. The major fracture mechanism responsible for the increased energy dissipation was found to be nano-cavitation. SEM images from the fracture surfaces showed clear cavities on the modified samples whereas none were seen on the fracture surface of the control samples. Overall, it was demonstrated that network topology can be used to tailor thermal and mechanical properties of thermosetting polymers. The experimental methodologies in this dissertation can directly and economically be applied to design polymeric materials with improved properties for desired applications. Although topology-based toughening was investigated on epoxy-amine polymers, the concept can be extended to most thermoset chemistries and perhaps to other brittle network forming materials.

  10. Influence of a Horizontal Approach on the Mechanical Output during Drop Jumps

    Science.gov (United States)

    Ruan, Mianfang; Li, Li

    2008-01-01

    This study investigated the influence of a horizontal approach to mechanical output during drop jumps. Participants performed drop jumps from heights of 15, 30, 45, and 60 cm with zero, one, two, and three approach steps. The peak summed power during the push-off phase changed quadratically across heights (6.2 [plus or minus] 0.3, 6.7 [plus or…

  11. Mechanical strain-amplifying transducer for fiber Bragg grating sensors with applications in structural health monitoring

    Science.gov (United States)

    Nawrot, Urszula; Geernaert, Thomas; De Pauw, Ben; Anastasopoulos, Dimitrios; Reynders, Edwin; De Roeck, Guido; Berghmans, Francis

    2017-04-01

    A well-known structural health monitoring method used to detect and locate damage in civil engineering structures is vibration-based damage identification. It typically monitors the civil structure over time to spot slow or sudden changes in its natural frequencies, damping factors or modal displacements. This approach can prove very powerful, but the sensitivity of those properties to local damage can be rather low. In addition, their cross-sensitivity to environmental influences may completely mask the effect of damage, even of severe damage. Instead one can consider the modal strains and curvatures, which are much more sensitive to local damage, but direct (quasi-)distributed monitoring of these quantities with sufficient strain resolution as well as adequate spatial resolution is not straightforward with current measurement techniques. This stems from the small (sub-microstrain) amplitudes of the strain levels occurring following ambient or operational excitation of the structure under test. To deal with this issue we propose and demonstrate a novel mechanical transducer that amplifies the strain applied to an optical fiber Bragg grating sensor with a factor of about 36. In addition the transducer resonance frequencies are sufficiently high to ensure accurate dynamic strain monitoring of civil structures under ambient excitation.

  12. GSN - The Goal Structuring Notation A Structured Approach to Presenting Arguments

    CERN Document Server

    Spriggs, John

    2012-01-01

    Goal Structuring Notation (GSN)  is becoming increasing popular; practitioners use it in the railway, air traffic management and nuclear industries, amongst others.  Originally developed to present safety assurance arguments, GSN need not be restricted to safety assurances only; in principle, you can use it to present (and test) any argument.  Anyone wishing to support, or refute, a claim can use GSN. Written by an experienced practitioner, The Goal Structuring Notation is both for those who wish to prepare and present compelling arguments using the notation, and for those who wish to review such arguments critically and effectively. To emphasise the versatility of this approach The Goal Structuring Notation presents examples and questions based on diverse subject areas including Business Management, Drama, Engineering, Politics and Astrobiology. Simple examples introduce each symbol of the notation before introducing more complex structures which illustrate how the symbols work together in practical scena...

  13. Mechanical properties of geopolymer mortars in relation to their porous structure

    Directory of Open Access Journals (Sweden)

    Michaela Steinerova

    2011-12-01

    Full Text Available This research dealt with metakaolinite geopolymers of various textures controlled by the addition of a quartz sand in a range of 0–93 wt.%. Mechanical properties were measured to quantify the impact of changing composition on the specimen structure, aimed to the mixture optimizing. The compressive and flexural strengths, Young’s modulus and frost resistance were compared with structure parameters determined by mercury porosimetry. The resulting relations are discussed revealing varying control plots modifying the strengths and frost resistance. The existence of an interfacial transition zone caused by the interaction between the quartz aggregates and the geopolymer was verified to be positively affecting the composite strengths. It has been found that the material of the best mechanical properties underwent the maximal densification of the sand aggregates causing the approaching on the shortest distance with the condition of entirely coating by geopolymer gel. In this manner, the highest interface participation is represented on the composite structure. Besides the high strength, freezing resistance was conditioned by an at least 20% content (within the total porosity of 1-8 μm large mesopores.

  14. Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis.

    Science.gov (United States)

    Gao, Yun-Rong; Li, De-Feng; Fleming, Joy; Zhou, Ya-Feng; Liu, Ying; Deng, Jiao-Yu; Zhou, Lin; Zhou, Jie; Zhu, Guo-Feng; Zhang, Xian-En; Wang, Da-Cheng; Bi, Li-Jun

    2017-07-25

    MarR family proteins are transcriptional regulators that control expression of bacterial proteins involved in metabolism, virulence, stress responses and multi-drug resistance, mainly via ligand-mediated attenuation of DNA binding. Greater understanding of their underlying regulatory mechanism may open up new avenues for the effective treatment of bacterial infections. To gain molecular insight into the mechanism of Rv2887, a MarR family protein in M. tuberculosis, we first showed that it binds salicylate (SA) and para-aminosalicylic acid (PAS), its structural analogue and an antitubercular drug, in a 1:1 stoichiometry with high affinity. Subsequent determination and analysis of Rv2887 crystal structures in apo form, and in complex with SA, PAS and DNA showed that SA and PAS bind to Rv2887 at similar sites, and that Rv2887 interacts with DNA mainly by insertion of helix α4 into the major groove. Ligand binding triggers rotation of the wHTH domain of Rv2887 toward the dimerization domain, causing changes in protein conformation such that it can no longer bind to a 27 bp recognition sequence in the upstream region of gene Rv0560c. The structures provided here lay a foundation for the design of small molecules that target Rv2887, a potential new approach for the development of anti-mycobacterials.

  15. Catalytic Mechanism and Three-Dimensional Structure of Adenine Deaminase

    Energy Technology Data Exchange (ETDEWEB)

    Kamat, S.S.; Swaminathan, S.; Bagaria, A.; Kumaran, D.; Holmes-Hampton, G. P.; Fan, H.; Sali, A.; Sauder, J. M.; Burley, S. K.; Lindahl, P. A.; Raushel, F. M.

    2011-03-22

    Adenine deaminase (ADE) catalyzes the conversion of adenine to hypoxanthine and ammonia. The enzyme isolated from Escherichia coli using standard expression conditions was low for the deamination of adenine (k{sub cat} = 2.0 s{sup -1}; k{sub cat}/K{sub m} = 2.5 x 10{sup 3} M{sup -1} s{sup -1}). However, when iron was sequestered with a metal chelator and the growth medium was supplemented with Mn{sup 2+} prior to induction, the purified enzyme was substantially more active for the deamination of adenine with kcat and kcat/Km values of 200 s{sup -1} and 5 x 10{sup 5} M{sup -1} s{sup -1}, respectively. The apoenzyme was prepared and reconstituted with Fe{sup 2+}, Zn{sup 2+}, or Mn{sup 2+}. In each case, two enzyme equivalents of metal were necessary for reconstitution of the deaminase activity. This work provides the first example of any member of the deaminase subfamily of the amidohydrolase superfamily to utilize a binuclear metal center for the catalysis of a deamination reaction. [Fe{sup II}/Fe{sup II}]-ADE was oxidized to [Fe{sup III}/Fe{sup III}]-ADE with ferricyanide with inactivation of the deaminase activity. Reducing [Fe{sup III}/Fe{sup III}]-ADE with dithionite restored the deaminase activity, and thus, the diferrous form of the enzyme is essential for catalytic activity. No evidence of spin coupling between metal ions was evident by electron paramagnetic resonance or Moessbauer spectroscopy. The three-dimensional structure of adenine deaminase from Agrobacterium tumefaciens (Atu4426) was determined by X-ray crystallography at 2.2 {angstrom} resolution, and adenine was modeled into the active site on the basis of homology to other members of the amidohydrolase superfamily. On the basis of the model of the adenine-ADE complex and subsequent mutagenesis experiments, the roles for each of the highly conserved residues were proposed. Solvent isotope effects, pH-rate profiles, and solvent viscosity were utilized to propose a chemical reaction mechanism and the

  16. Catalytic Mechanism and Three-Dimensional Structure of Adenine Deaminase

    Energy Technology Data Exchange (ETDEWEB)

    S Kamat; A Bagaria; D Kumaran; G Holmes-Hampton; H Fan; A Sali; J Sauder; S Burley; P Lindahl; et. al.

    2011-12-31

    Adenine deaminase (ADE) catalyzes the conversion of adenine to hypoxanthine and ammonia. The enzyme isolated from Escherichia coli using standard expression conditions was low for the deamination of adenine (k{sub cat} = 2.0 s{sup -1}; k{sub cat}/K{sub m} = 2.5 x 10{sup 3} M{sup -1} s{sup -1}). However, when iron was sequestered with a metal chelator and the growth medium was supplemented with Mn{sup 2+} prior to induction, the purified enzyme was substantially more active for the deamination of adenine with k{sub cat} and k{sub cat}/K{sub m} values of 200 s{sup -1} and 5 x 10{sup 5} M{sup -1} s{sup -1}, respectively. The apoenzyme was prepared and reconstituted with Fe{sup 2+}, Zn{sup 2+}, or Mn{sup 2+}. In each case, two enzyme equivalents of metal were necessary for reconstitution of the deaminase activity. This work provides the first example of any member of the deaminase subfamily of the amidohydrolase superfamily to utilize a binuclear metal center for the catalysis of a deamination reaction. [Fe{sup II}/Fe{sup II}]-ADE was oxidized to [Fe{sup III}/Fe{sup III}]-ADE with ferricyanide with inactivation of the deaminase activity. Reducing [Fe{sup III}/Fe{sup III}]-ADE with dithionite restored the deaminase activity, and thus, the diferrous form of the enzyme is essential for catalytic activity. No evidence of spin coupling between metal ions was evident by electron paramagnetic resonance or Moessbauer spectroscopy. The three-dimensional structure of adenine deaminase from Agrobacterium tumefaciens (Atu4426) was determined by X-ray crystallography at 2.2 {angstrom} resolution, and adenine was modeled into the active site on the basis of homology to other members of the amidohydrolase superfamily. On the basis of the model of the adenine-ADE complex and subsequent mutagenesis experiments, the roles for each of the highly conserved residues were proposed. Solvent isotope effects, pH-rate profiles, and solvent viscosity were utilized to propose a chemical reaction

  17. Nonlinear Dynamic Analysis of Telescopic Mechanism for Truss Structure Bridge Inspection Vehicle Under Pedestrian Excitation

    Directory of Open Access Journals (Sweden)

    Wenwen Sui

    Full Text Available Abstract Nonlinear dynamic analysis of an axially moving telescopic mechanism for truss structure bridge inspection vehicle under pedestrian excitation is carried out. A biomechanically inspired inverted-pendulum model is utilized to simplify the pedestrian. The nonlinear equations of motion for the beam-pedestrian system are derived using the Hamilton's principle. The equations are transformed into two ordinary differential equations by applying the Galerkin's method at the first two orders. The solutions to the equations are acquired by using the Newmark-β method associated with the Newton-Raphson method. The time-dependent feature of the eigenfunctions for the two beams are taken into consideration in the solutions. Accordingly, the equations of motion for a simplified system, in which the pedestrian is regarded as moving cart, are given. In the numerical examples, dynamic responses of the telescopic mechanism in eight conditions of different beam-telescoping and pedestrian-moving directions are simulated. Comparisons between the vibrations of the beams under pedestrian excitation and corresponding moving cart are carried out to investigate the influence of the pedestrian excitation on the telescopic mechanism. The results show that the displacement of the telescopic mechanism under pedestrian excitation is smaller than that under moving cart especially when the pedestrian approaches the beams end. Additionally, compared with moving cart, the pedestrian excitation can effectively strengthen the vibration when the beam extension is small or when the pedestrian is close to the beams end.

  18. Mechanics and energetics in tool manufacture and use: a synthetic approach.

    Science.gov (United States)

    Wang, Liyu; Brodbeck, Luzius; Iida, Fumiya

    2014-11-06

    Tool manufacture and use are observed not only in humans but also in other animals such as mammals, birds and insects. Manufactured tools are used for biomechanical functions such as effective control of fluids and small solid objects and extension of reaching. These tools are passive and used with gravity and the animal users' own energy. From the perspective of evolutionary biology, manufactured tools are extended phenotypes of the genes of the animal and exhibit phenotypic plasticity. This incurs energetic cost of manufacture as compared to the case with a fixed tool. This paper studies mechanics and energetics aspects of tool manufacture and use in non-human beings. Firstly, it investigates possible mechanical mechanisms of the use of passive manufactured tools. Secondly, it formulates the energetic cost of manufacture and analyses when phenotypic plasticity benefits an animal tool maker and user. We take a synthetic approach and use a controlled physical model, i.e. a robot arm. The robot is capable of additively manufacturing scoop and gripper structures from thermoplastic adhesives to pick and place fluid and solid objects, mimicking primates and birds manufacturing tools for a similar function. We evaluate the effectiveness of tool use in pick-and-place and explain the mechanism for gripper tools picking up solid objects with a solid-mechanics model. We propose a way to formulate the energetic cost of tool manufacture that includes modes of addition and reshaping, and use it to analyse the case of scoop tools. Experiment results show that with a single motor trajectory, the robot was able to effectively pick and place water, rice grains, a pebble and a plastic box with a scoop tool or gripper tools that were manufactured by itself. They also show that by changing the dimension of scoop tools, the energetic cost of tool manufacture and use could be reduced. The work should also be interesting for engineers to design adaptive machines. © 2014 The Author

  19. Structural concerns in dynamic drop loads on transfer lock mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Pfeiffer, P.A.; Moran, T.J.; Kulak, R.F. [Argonne National Lab., IL (United States). Reactor Engineering Div.

    1997-07-01

    Drop loads are usually low probability events that can generate substantial loading to the impacted structures. When the impacted structure contains slender elements, the concern about dynamic buckling must be addressed. The problem of interest here is a structure is also under significant preload, which must be taken into account in the transient analysis. For complex structures, numerical simulations are the only viable option for assessing the transient response to short duration impactive loads. this paper addresses several analysis issues of preloaded structures with slender members subjected to drop loads. A three-dimensional beam element is validated for use in dynamic buckling analysis. the numerical algorithm used to solve the transient response of preloaded structures is discussed. The methodology is applied to an inter-compartment lock that is under significant preloads, and subjected to a drop load.

  20. A Coupled Multiphysics Approach for Simulating Induced Seismicity, Ground Acceleration and Structural Damage

    Science.gov (United States)

    Podgorney, Robert; Coleman, Justin; Wilkins, Amdrew; Huang, Hai; Veeraraghavan, Swetha; Xia, Yidong; Permann, Cody

    2017-04-01

    Numerical modeling has played an important role in understanding the behavior of coupled subsurface thermal-hydro-mechanical (THM) processes associated with a number of energy and environmental applications since as early as the 1970s. While the ability to rigorously describe all key tightly coupled controlling physics still remains a challenge, there have been significant advances in recent decades. These advances are related primarily to the exponential growth of computational power, the development of more accurate equations of state, improvements in the ability to represent heterogeneity and reservoir geometry, and more robust nonlinear solution schemes. The work described in this paper documents the development and linkage of several fully-coupled and fully-implicit modeling tools. These tools simulate: (1) the dynamics of fluid flow, heat transport, and quasi-static rock mechanics; (2) seismic wave propagation from the sources of energy release through heterogeneous material; and (3) the soil-structural damage resulting from ground acceleration. These tools are developed in Idaho National Laboratory's parallel Multiphysics Object Oriented Simulation Environment, and are integrated together using a global implicit approach. The governing equations are presented, the numerical approach for simultaneously solving and coupling the three coupling physics tools is discussed, and the data input and output methodology is outlined. An example is presented to demonstrate the capabilities of the coupled multiphysics approach. The example involves simulating a system conceptually similar to the geothermal development in Basel Switzerland, and the resultant induced seismicity, ground motion and structural damage is predicted.

  1. The protsessno-focused re-structuring of the enterprise of mechanical engineering: from the theory to practice

    Directory of Open Access Journals (Sweden)

    A. Afanasev

    2015-01-01

    Full Text Available In the developed uneasy economic conditions, re-structuring - one of the most effective methods who can influence positive change of a machine building complex, its organizational-technical, administrative and legal orientation. Necessity of a theoretical and methodical readiness of investigated problems and their practical importance have caused an urgency and a choice of a theme of article. The purpose / problems. Enterprise re-structuring as a practical embodiment of the purposes of managers, is a difficult, multifactorial problem. Accordingly, the decision of this problem, namely construction of the protsessno-focused re-structuring of the enterprise demands the complex, system approach. Article purpose is – the description of methodology of one of possible approaches to transformation of re-structuring of the enterprise of mechanical engineering from the point of view of practical management.Methodology. In article the methodology is resulted, allowing to solve the questions connected with re-structuring at the enterprises of mechanical engineering owing to consistency .Results. The present article is short describes the practical scientifically-methodical approach in which frameworks was construction of the protsessno-focused re-structuring of the enterprise of mechanical engineering on an example of the largest enterprise of Privolzhsky federal district of Open Society "Кamaz" is offered.Conclusions / the importance. Undoubtedly, offered approach – is not unique. However it has essential advantages before others – the consistency and application in aggregate both the conventional tools of management, and the original workings out which have proved the practical suitability in the conditions of the Russian practice. This approach – not panacea from all troubles of the real enterprise. Nevertheless, as practice shows, he allows to reach notable successes at carrying out of transformations real, instead of the

  2. Spatial structure and activity mechanism of a novel spider antimicrobial peptide.

    Science.gov (United States)

    Dubovskii, Peter V; Volynsky, Pavel E; Polyansky, Anton A; Chupin, Vladimir V; Efremov, Roman G; Arseniev, Alexander S

    2006-09-05

    Latarcins (Ltc), linear peptides (ca. 25 amino acid long) isolated from the venom of the Lachesana tarabaevi spider, exhibit a broad-spectrum antibacterial activity, most likely acting on the bacterial plasmatic membrane. We study the structure-activity relationships in the series of these compounds. At the first stage, we investigated the spatial structure of one of the peptides, Ltc2a, and its mode of membrane perturbation. This was done by a combination of experimental and theoretical methods. The approach includes (i) structural study of the peptide by CD spectroscopy in phospholipid liposomes and by (1)H NMR in detergent micelles, (ii) determination of the effect on the liposomes by a dye leakage fluorescent assay and (31)P NMR spectroscopy, (iii) refinement of the NMR-derived spatial structure via Monte Carlo simulations in an implicit water-octanol slab, and (iv) calculation of the molecular hydrophobicity potential. The molecule of Ltc2a was found to consist of two helical regions (residues 3-9 and 13-21) connected via a poorly ordered fragment. The effect of the peptide on the liposomes suggests the carpet mechanism of the membrane deterioration. This is also supported by the analysis of hydrophobic/hydrophilic characteristics of Ltc2a and homologous antimicrobial peptides. These peptides exhibiting a helix-hinge-helix structural motif are characterized by a distinct and feebly marked amphiphilicity of their N- and C-terminal helices, respectively, and by a hydrophobicity gradient along the peptide chain. The approach we suggested may be useful in studying not only other latarcins but also a wider class of membrane-active peptides.

  3. Possibilities of Bragg filtering structures based on subwavelength grating guiding mechanism (Conference Presentation)

    Science.gov (United States)

    Kwiecien, Pavel; Litvik, Ján.; Richter, Ivan; Ctyroký, Jirí; Cheben, Pavel

    2017-05-01

    Silicon-on-insulator (SOI), as the most promising platform, for advanced photonic integrated structures, employs a high refractive index contrast between the silicon "core" and surrounding media. One of the recent new ideas within this field is based on the alternative formation of the subwavelength sized (quasi)periodic structures, manifesting as an effective medium with respect to propagating light. Such structures relay on Bloch wave propagation concept, in contrast to standard index guiding mechanism. Soon after the invention of such subwavelength grating (SWG) waveguides, the scientists concentrated on various functional elements such as couplers, crossings, mode transformers, convertors, MMI couplers, polarization converters, resonators, Bragg filters, and others. Our contribution is devoted to a detailed numerical analysis and design considerations of Bragg filtering structures based on SWG idea. Based on our previous studies where we have shown impossibility of application of various 2 and "2.5" dimensional methods for the proper numerical analysis, here we effectively use two independent but similar in-house approaches based on 3D Fourier modal methods, namely aperiodic rigorous coupled wave analysis (aRCWA) and bidirectional expansion and propagation method based on Fourier series (BEX) tools. As it was recently demonstrated, SWG Bragg filters are feasible. Based on this idea, we propose, simulate, and optimize spectral characteristics of such filters. In particular, we have investigated several possibilities of modifications of original SWG waveguides towards the Bragg filtering, including firstly - simple single-segment changes in position, thickness, and width, and secondly - several types of Si inclusions, in terms of perturbed width and thickness (and their combinations). The leading idea was to obtain required (e.g. sufficiently narrow) spectral characteristic while keeping the minimum size of Si features large enough. We have found that the second

  4. Lithium concentration dependent structure and mechanics of amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sitinamaluwa, H. S.; Wang, M. C.; Will, G.; Senadeera, W.; Yan, C., E-mail: c2.yan@qut.edu.au [School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology (QUT), Brisbane QLD 4001 (Australia); Zhang, S. [Centre for Clean Environment and Energy, Environmental Futures Research Institute and Griffith School of Environment, Gold Coast Campus, Griffith University, QLD 4222 (Australia)

    2016-06-28

    A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of Li{sub x}Si alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a Li{sub x}Si system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

  5. Nondestructive Measurements Using Mechanical Waves in Reinforced Concrete Structures.

    Science.gov (United States)

    2014-02-01

    "This study evaluated various techniques that use mechanical waves for the evaluation of critical concrete properties, : such as proper consolidation of the concrete during placement and strength development; changes in modulus; and the detection : o...

  6. Degradation of Mechanical Properties of Multi Perforated Structural Elements

    National Research Council Canada - National Science Library

    Jaeger, Zeev

    2004-01-01

    ...: This work shall demonstrate the feasibility of an inventive method for a quantitative determination of residual strength of a punctured mechanical element due to holes perforated by many solid fragments...

  7. Structure, composition and mechanical properties of the silk fibres of ...

    Indian Academy of Sciences (India)

    The silk egg case and orb web of spiders are elaborate structures that are assembled from a number of components. We analysed the structure, the amino acid and fibre compositions, and the tensile properties of the silk fibres of the egg case of Nephila clavata. SEM shows that the outer and inner covers of the egg case ...

  8. Structural Neuroimaging of Anorexia Nervosa: Future Directions in the Quest for Mechanisms Underlying Dynamic Alterations.

    Science.gov (United States)

    King, Joseph A; Frank, Guido K W; Thompson, Paul M; Ehrlich, Stefan

    2018-02-01

    Anorexia nervosa (AN) is a serious eating disorder characterized by self-starvation and extreme weight loss. Pseudoatrophic brain changes are often readily visible in individual brain scans, and AN may be a valuable model disorder to study structural neuroplasticity. Structural magnetic resonance imaging studies have found reduced gray matter volume and cortical thinning in acutely underweight patients to normalize following successful treatment. However, some well-controlled studies have found regionally greater gray matter and persistence of structural alterations following long-term recovery. Findings from diffusion tensor imaging studies of white matter integrity and connectivity are also inconsistent. Furthermore, despite the severity of AN, the number of existing structural neuroimaging studies is still relatively low, and our knowledge of the underlying cellular and molecular mechanisms for macrostructural brain changes is rudimentary. We critically review the current state of structural neuroimaging in AN and discuss the potential neurobiological basis of structural brain alterations in the disorder, highlighting impediments to progress, recent developments, and promising future directions. In particular, we argue for the utility of more standardized data collection, adopting a connectomics approach to understanding brain network architecture, employing advanced magnetic resonance imaging methods that quantify biomarkers of brain tissue microstructure, integrating data from multiple imaging modalities, strategic longitudinal observation during weight restoration, and large-scale data pooling. Our overarching objective is to motivate carefully controlled research of brain structure in eating disorders, which will ultimately help predict therapeutic response and improve treatment. Copyright © 2017 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

  9. Artificial Intelligence and Semantics through the Prism of Structural, Post-Structural and Transcendental Approaches.

    Science.gov (United States)

    Gasparyan, Diana

    2016-12-01

    There is a problem associated with contemporary studies of philosophy of mind, which focuses on the identification and convergence of human and machine intelligence. This is the problem of machine emulation of sense. In the present study, analysis of this problem is carried out based on concepts from structural and post-structural approaches that have been almost entirely overlooked by contemporary philosophy of mind. If we refer to the basic definitions of "sign" and "meaning" found in structuralism and post-structuralism, we see a fundamental difference between the capabilities of a machine and the human brain engaged in the processing of a sign. This research will exemplify and provide additional evidence to support distinctions between syntactic and semantic aspects of intelligence, an issue widely discussed by adepts of contemporary philosophy of mind. The research will demonstrate that some aspect of a number of ideas proposed in relation to semantics and semiosis in structuralism and post-structuralism are similar to those we find in contemporary analytical studies related to the theory and philosophy of artificial intelligence. The concluding part of the paper offers an interpretation of the problem of formalization of sense, connected to its metaphysical (transcendental) properties.

  10. A critical damping approach for assessing the role of marrow fat on the mechanical strength of trabecular bone.

    Science.gov (United States)

    Braidotti, P; Stagni, L

    2007-01-01

    Several clinical findings revealed that post-menopausal osteoporosis and age-related osteopenia are accompanied by trabecular bone marrow fat (BMF) increase. To help understand this phenomenon, a vibrating string model is proposed, based on the hypothesis that, when bone marrow properties change, the trabecular bone structure remodels itself to preserve its critical damping state. It is found that an inverse relationship holds between trabecular average length and marrow damping coefficient. Such a result leads us to hypothesize the following bone-weakening mechanism. Since fat-rich bone marrow is a worse damper, a BMF increment causes an increase of trabecular average length, which is accomplished by the absorption of horizontal trabeculae (structurally less important than vertical trabeculae). The resulting bone patterns are in excellent agreement with clinical observations of osteoporotic bone. A definitive confirmation of the proposed mechanism will support a therapeutical approach to widespread osteopenic diseases aimed at avoiding, or limiting, BMF increase.

  11. Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate

    Energy Technology Data Exchange (ETDEWEB)

    Hu,G.; Lin, G.; Wang, M.; Dick, L.; Xu, R.; Nathan, C.; Li, H.

    2006-01-01

    Mycobacterium tuberculosis (Mtb) has the remarkable ability to resist killing by human macrophages. The 750 kDa proteasome, not available in most eubacteria except Actinomycetes, appears to contribute to Mtb's resistance. The crystal structure of the Mtb proteasome at 3.0 Angstroms resolution reveals a substrate-binding pocket with composite features of the distinct {beta}1, {beta}2 and {beta}5 substrate binding sites of eukaryotic proteasomes, accounting for the broad specificity of the Mtb proteasome towards oligopeptides described in the companion article [Lin et al. (2006), Mol Microbiol doi:10.1111/j.1365-2958.2005.05035.x]. The substrate entrance at the end of the cylindrical proteasome appears open in the crystal structure due to partial disorder of the a-subunit N-terminal residues. However, cryo-electron microscopy of the core particle reveals a closed end, compatible with the density observed in negative-staining electron microscopy that depended on the presence of the N-terminal octapeptides of the a-subunits in the companion article, suggesting that the Mtb proteasome has a gated structure. We determine for the first time the proteasomal inhibition mechanism of the dipeptidyl boronate N-(4-morpholine)carbonyl-{beta}-(1-naphthyl)-l-alanine-l-leucine boronic acid (MLN-273), an analogue of the antimyeloma drug bortezomib. The structure improves prospects for designing Mtb-specific proteasomal inhibitors as a novel approach to chemotherapy of tuberculosis.

  12. A Multiscale Approach to the Smart Deployment of Micro-Sensors over Lightweight Structures.

    Science.gov (United States)

    Capellari, Giovanni; Caimmi, Francesco; Bruggi, Matteo; Mariani, Stefano

    2017-07-15

    A topology optimization approach has been recently proposed to maximize the sensitivity to damage of measurements, collected through a network of sensors to be deployed over thin plates for structural health monitoring purposes. Within such a frame, damage is meant as a change in the structural health characterized by a reduction of relevant stiffness and load-carrying properties. The sensitivity to a damage of unknown amplitude and location is computed by comparing the response to the external actions of the healthy structure and of a set of auxiliary damaged structures, each one featuring reduced mechanical properties in a small region only. The topology optimization scheme has been devised to properly account for the information coming from all of the sensors to be placed on the structure and for damage depending on its location. In this work, we extend the approach within a multiscale frame to account for three different length scales: a macroscopic one, linked to the dimensions of the whole structure to be monitored; a mesoscopic one, linked to the characteristic size of the damaged region; a microscopic one, linked to the size of inertial microelectromechanical systems (MEMS) to be used within a marginally-invasive health monitoring system. Results are provided for a square plate and for a section of fuselage with stiffeners, to show how the micro-sensors have to be deployed to maximize the capability to detect a damage, to assess the sensitivity of the results to the measurement noise and to also discuss the speedup in designing the network topology against a standard single-scale approach.

  13. Quantitative structure-activity relationships of insecticides and plant growth regulators: comparative studies toward understanding the molecular mechanism of action.

    Science.gov (United States)

    Iwamura, H; Nishimura, K; Fujita, T

    1985-01-01

    Emphasis was put on the comparative quantitative structure-activity approaches to the exploration of action mechanisms of structurally different classes of compounds showing the same type of activity as well as those of the same type of compounds having different actions. Examples were selected from studies performed on insecticides and plant growth regulators, i.e., neurotoxic carbamates, phosphates, pyrethroids and DDT analogs, insect juvenile hormone mimics, and cytokinin agonistic and antagonistic compounds. Similarities and dissimilarities in structures required to elicit activity between compounds classes were revealed in terms of physicochemical parameters, provoking further exploration and evoking insights into the molecular mechanisms of action which may lead to the development of new structures having better qualities. PMID:3905379

  14. Structural biological materials: critical mechanics-materials connections.

    Science.gov (United States)

    Meyers, Marc André; McKittrick, Joanna; Chen, Po-Yu

    2013-02-15

    Spider silk is extraordinarily strong, mollusk shells and bone are tough, and porcupine quills and feathers resist buckling. How are these notable properties achieved? The building blocks of the materials listed above are primarily minerals and biopolymers, mostly in combination; the first weak in tension and the second weak in compression. The intricate and ingenious hierarchical structures are responsible for the outstanding performance of each material. Toughness is conferred by the presence of controlled interfacial features (friction, hydrogen bonds, chain straightening and stretching); buckling resistance can be achieved by filling a slender column with a lightweight foam. Here, we present and interpret selected examples of these and other biological materials. Structural bio-inspired materials design makes use of the biological structures by inserting synthetic materials and processes that augment the structures' capability while retaining their essential features. In this Review, we explain this idea through some unusual concepts.

  15. Mechanics of Pressurized Plain-Woven Fabric Structures

    National Research Council Canada - National Science Library

    Cavallaro, Paul

    2003-01-01

    Pressurized fabric tubes, pressure-stabilized beams (known as air beams), and air-inflated structures are all considered to be valuable technologies for use in lightweight, rapidly deployable systems...

  16. Fragmentation mechanism reflecting the cluster structure of {sup 19}B

    Energy Technology Data Exchange (ETDEWEB)

    Takemoto, H.; Horiuchi, H. [Kyoto Univ., Dept. of Physics, Kyoto (Japan); Ono, A.

    1999-08-01

    Clustering structure of neutron dripline nucleus {sup 19}B which was predicted theoritically is investigated by studying the fragmentation reaction of {sup 19}B. We compare {sup 19}B fragmentation with {sup 13}B fragmentation in {sup 19}B + {sup 14}N and {sup 13}B + {sup 14}N reactions by using antisymmetrized molecular dynamics, where {sup 13}B has no clustering feature in its structure. We find that the cluster structure of the {sup 19}B nucleus is reflected in its fragmentation as the simultaneous production of He and Li isotopes. Furthermore we investigate the dependence of the cluster decay of {sup 19}B on the incident energy, and find that the cluster structure of {sup 19}B in its ground state is more reflected in lower incident-energy reactions. (author)

  17. Structural insight into catalytic mechanism of PET hydrolase

    OpenAIRE

    Han, Xu; Liu, Weidong; Huang, Jian-Wen; Ma, Jiantao; Zheng, Yingying; Ko, Tzu-Ping; Xu, Limin; Cheng, Ya-Shan; Chen, Chun-Chi; Guo, Rey-Ting

    2017-01-01

    PET hydrolase (PETase), which hydrolyzes polyethylene terephthalate (PET) into soluble building blocks, provides an attractive avenue for the bioconversion of plastics. Here we present the structures of a novel PETase from the PET-consuming microbe Ideonella sakaiensis in complex with substrate and product analogs. Through structural analyses, mutagenesis, and activity measurements, a substrate-binding mode is proposed, and several features critical for catalysis are elucidated.

  18. Structural insight into catalytic mechanism of PET hydrolase.

    Science.gov (United States)

    Han, Xu; Liu, Weidong; Huang, Jian-Wen; Ma, Jiantao; Zheng, Yingying; Ko, Tzu-Ping; Xu, Limin; Cheng, Ya-Shan; Chen, Chun-Chi; Guo, Rey-Ting

    2017-12-13

    PET hydrolase (PETase), which hydrolyzes polyethylene terephthalate (PET) into soluble building blocks, provides an attractive avenue for the bioconversion of plastics. Here we present the structures of a novel PETase from the PET-consuming microbe Ideonella sakaiensis in complex with substrate and product analogs. Through structural analyses, mutagenesis, and activity measurements, a substrate-binding mode is proposed, and several features critical for catalysis are elucidated.

  19. MECHANISMS OF DESTRUCTION OF NANO-STRUCTURE DISPERSE-STRENGTHENED MECHANICALLY ALLOYED COPPER MATERIALS

    Directory of Open Access Journals (Sweden)

    G. F. Lovshenko

    2008-01-01

    Full Text Available Mechanisms of  destruction of high-duty mechanically alloyed dispersion strengthened materials on the basis of metals are studied at the example of  system Сu - 0,80% Al -  0,71% О and technological methods, providing increase of  their viscosity, are given.

  20. Conditional Probability, Three-Slit Experiments, and the Jordan Algebra Structure of Quantum Mechanics

    Directory of Open Access Journals (Sweden)

    Gerd Niestegge

    2012-01-01

    classical probabilities, quantum mechanics, and Jordan algebras. This structure exhibits some similarities with Alfsen and Shultz's noncommutative spectral theory, but these two mathematical approaches are not identical. Barnum, Emerson, and Ududec adapted the concept of higher-order interference, introduced by Sorkin in 1994, into a general probabilistic framework. Their adaption is used here to reveal a close link between the existence of the Jordan product and the nonexistence of interference of third or higher order in those quantum logics which entail a reasonable calculus of conditional probability. The complete characterization of the Jordan algebraic structure requires the following three further postulates: a Hahn-Jordan decomposition property for the states, a polynomial functional calculus for the observables, and the positivity of the square of an observable. While classical probabilities are characterized by the absence of any kind of interference, the absence of interference of third (and higher order thus characterizes a probability calculus which comes close to quantum mechanics but still includes the exceptional Jordan algebras.

  1. Structure and scale of the mechanics of mammalian dental enamel viewed from an evolutionary perspective.

    Science.gov (United States)

    Lucas, Peter W; Philip, Swapna M; Al-Qeoud, Dareen; Al-Draihim, Nuha; Saji, Sreeja; van Casteren, Adam

    2016-01-01

    Mammalian enamel, the contact dental tissue, is something of an enigma. It is almost entirely made of hydroxyapatite, yet exhibits very different mechanical behavior to a homogeneous block of the same mineral. Recent approaches suggest that its hierarchical composite form, similar to other biological hard tissues, leads to a mechanical performance that depends very much on the scale of measurement. The stiffness of the material is predicted to be highest at the nanoscale, being sacrificed to produce a high toughness at the largest scale, that is, at the level of the tooth crown itself. Yet because virtually all this research has been conducted only on human (or sometimes "bovine") enamel, there has been little regard for structural variation of the tissue considered as evolutionary adaptation to diet. What is mammalian enamel optimized for? We suggest that there are competing selective pressures. We suggest that the structural characteristics that optimize enamel to resist large-scale fractures, such as crown failures, are very different to those that resist wear (small-scale fracture). While enamel is always designed for damage tolerance, this may be suboptimal in the enamel of some species, including modern humans (which have been the target of most investigations), in order to counteract wear. The experimental part of this study introduces novel techniques that help to assess resistance at the nanoscale. © 2015 Wiley Periodicals, Inc.

  2. A new characterization approach for studying relationships between microstructure and creep damage mechanisms of uranium dioxide

    Science.gov (United States)

    Iltis, X.; Ben Saada, M.; Mansour, H.; Gey, N.; Hazotte, A.; Maloufi, N.

    2016-06-01

    Four batches of UO2 pellets were studied comparatively, before and after creep tests, to evaluate a characterization methodology aimed to determine the links between microstructure and damage mechanisms induced by compressive creep of uranium dioxide at 1500 °C. They were observed by means of scanning electron microscopy (SEM) coupled with image analysis, to quantify their fabrication porosity and the occurrence of inter-granular cavities after creep, and electron back scattered diffraction (EBSD), especially to characterize sub-structures development associated with plastic deformation. Electron channeling contrast imaging (ECCI) was also applied to evidence dislocations, at an exploratory stage, on one of the deformed pellets. This approach helped to identify and quantify microstructural differences between batches. Their as-fabricated microstructures differed in terms of grain size and fabrication porosity distribution. The pellets which had the lowest strain rates were those with the largest number of intra-granular pores, regardless of their grain size. They also exhibited less numerous sub-boundaries within the grains. These first results clearly illustrate the benefit of systematic examinations of crept UO2 pellets at a mesoscopic scale, by SEM and EBSD, to study their deformation process. In addition, ECCI appears as a powerful tool to evidence local dislocations arrangements, in bulk samples. Even if the sampling was limited, the results of this study also tend to indicate that the intra-granular pores population, resulting from the manufacturing of the samples by powder metallurgy, could have a significant influence on the UO2 viscoplastic deformation mechanisms.

  3. Proton-pumping mechanism of cytochrome c oxidase: A kinetic master-equation approach

    Science.gov (United States)

    Kim, Young C.; Hummer, Gerhard

    2011-01-01

    Cytochrome c oxidase (CcO) is an efficient energy transducer that reduces oxygen to water and converts the released chemical energy into an electrochemical membrane potential. As a true proton pump, CcO translocates protons across the membrane against this potential. Based on a wealth of experiments and calculations, an increasingly detailed picture of the reaction intermediates in the redox cycle has emerged. However, the fundamental mechanism of proton pumping coupled to redox chemistry remains largely unresolved. Here we examine and extend a kinetic master-equation approach to gain insight into redox-coupled proton pumping in CcO. Basic principles of the CcO proton pump emerge from an analysis of the simplest kinetic models that retain essential elements of the experimentally determined structure, energetics, and kinetics, and that satisfy fundamental physical principles. The master-equation models allow us to address the question of how pumping can be achieved in a system in which all reaction steps are reversible. Whereas proton pumping does not require the direct modulation of microscopic reaction barriers, such kinetic gating greatly increases the pumping efficiency. Further efficiency gains can be achieved by partially decoupling the proton uptake pathway from the ative-site region. Such a mechanism is consistent with the proposed Glu valve, in which the side chain of a key glutamic acid shuttles between the D channel and the active-site region. We also show that the models predict only small proton leaks even in the absence of turnover. The design principles identified here for CcO provide a blueprint for novel biology-inspired fuel cells, and the master-equation formulation should prove useful also for other molecular machines. PMID:21946020

  4. Theoretical simulations on the antioxidant mechanism of naturally occurring flavonoid: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Praveena, R. [Department of Chemistry, Bannari Amman Institute of Technology, Sathyamangalam, Erode, Tamil Nadu (India); Sadasivam, K. [Department of Physics, Bannari Amman Institute of Technology, Sathyamangalam, Erode, Tamil Nadu (India)

    2016-05-06

    Synthetic antioxidants such as butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) are found to be toxic, hence non-carcinogenic naturally occurring radical scavengers especially flavonoids have gained considerable importance in the past two decades. In the present investigation, the radical scavenging activity of C-glycosyl flavonoids is evaluated using theoretical approach which could broaden its scope in therapeutic applications. Gas and solvent phase studies of structural and molecular characteristics of C-glycosyl flavonoid, isovitexin is investigated through hydrogen atom transfer mechanism (HAT), Electron transfer-proton transfer (ET–PT) and Sequential proton loss electron transfer (SPLET) by Density functional theory (DFT) using hybrid parameters. The computed values of the adiabatic ionization potential, electron affinity, hardness, softness, electronegativity and electrophilic index indicate that isovitexin possess good radical scavenging activity. The behavior of different –OH groups in polyphenolic compounds is assessed by considering electronic effects of the neighbouring groups and the overall geometry of molecule which in turn helps in analyzing the antioxidant capacity of the polyphenolic molecule. The studies indicate that the H–atom abstraction from 4’–OH site is preferred during the radical scavenging process. From Mulliken spin density analysis and FMOs, B–ring is found to be more delocalized center and capable of electron donation. Comparison of antioxidant activity of vitexin and isovitexin leads to the conclusion that isovitexin acts as a better radical scavenger. This is an evidence for the importance of position of glucose unit in the flavonoid.

  5. Theoretical simulations on the antioxidant mechanism of naturally occurring flavonoid: A DFT approach

    Science.gov (United States)

    Praveena, R.; Sadasivam, K.

    2016-05-01

    Synthetic antioxidants such as butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) are found to be toxic, hence non-carcinogenic naturally occurring radical scavengers especially flavonoids have gained considerable importance in the past two decades. In the present investigation, the radical scavenging activity of C-glycosyl flavonoids is evaluated using theoretical approach which could broaden its scope in therapeutic applications. Gas and solvent phase studies of structural and molecular characteristics of C-glycosyl flavonoid, isovitexin is investigated through hydrogen atom transfer mechanism (HAT), Electron transfer-proton transfer (ET-PT) and Sequential proton loss electron transfer (SPLET) by Density functional theory (DFT) using hybrid parameters. The computed values of the adiabatic ionization potential, electron affinity, hardness, softness, electronegativity and electrophilic index indicate that isovitexin possess good radical scavenging activity. The behavior of different -OH groups in polyphenolic compounds is assessed by considering electronic effects of the neighbouring groups and the overall geometry of molecule which in turn helps in analyzing the antioxidant capacity of the polyphenolic molecule. The studies indicate that the H-atom abstraction from 4'-OH site is preferred during the radical scavenging process. From Mulliken spin density analysis and FMOs, B-ring is found to be more delocalized center and capable of electron donation. Comparison of antioxidant activity of vitexin and isovitexin leads to the conclusion that isovitexin acts as a better radical scavenger. This is an evidence for the importance of position of glucose unit in the flavonoid.

  6. Robotic Powered Transfer Mechanism modeling on Human Muscle Structure

    Science.gov (United States)

    Saito, Yukio

    It is considered in engineering that one power source can operate one joint. However, support movement mechanism of living organism is multi joint movement mechanism. Considerably different from mechanical movement mechanism, two pairs of uni-articular muscles and a pair of bi-articular muscles are involved in it. In leg, movements observed in short run including leg idling, heel contact and toeing are operated by bi-articular muscles of the thigh showing strong legs to support body weight. Pursuit of versatility in welfare robot brings its comparison with conventional machinery or industrial robot to the fore. Request for safety and technology allowing elderly people to operate the robot is getting stronger in the society. The robot must be safe when it is used together with other welfare equipment and simpler system avoiding difficult operation has to be constructed. Appearance of recent care and assistance robot is getting similar to human arm in comparison with industrial robot. Being easily able to imagine from industrial robot, mid-heavyweight articulated robot to support 60-70kgf combined with large output motor and reduction gears is next to impossible to be installed in the bath room. This research indicated that upper limb arm and lower limb thigh of human and animals are holding coalitional muscles and movement of uni-artcular muscle and bi-articular muscle conjure the image of new actuators.

  7. Hierarchical Structure and Strengthening Mechanisms in Pearlitic Steel Wire

    DEFF Research Database (Denmark)

    Zhang, Xiaodan; Hansen, Niels; Huang, Xiaoxu

    Microstructure evolution and strengthening mechanisms have been analyzed in a cold-drawn pearlitic steel wire (the strongest engineering materials in the world) with a nanostructure down to 10 nm and a flow stress up to 5.4 GPa. The interlamellar spacing and the cementite lamellae thickness...

  8. Growth, spectral, structural and mechanical properties of struvite ...

    Indian Academy of Sciences (India)

    It forms in human beings as a result of urinary tract infection with urea splitting organisms. These stones can grow rapidly forming ... The results show that the presence of fluoride significantly affects struvite crystal growth and the characteristics of the crystallites produced. The mechanical property of the grown crystals has ...

  9. Mouthpart structure and function and the feeding mechanisms of ...

    African Journals Online (AJOL)

    Members of the genus Gerres feed almost exclusively on ben- thic invertebrates and have evolved efficient protrusible jaw mechanisms and modes of feeding. The methods employed in prey capture and feeding by five species that occur in the estuaries of Natal were studied using slow-motion cine photography and results ...

  10. Mechanical grading of structural timber and species conservation in ...

    African Journals Online (AJOL)

    EJIRO

    African Journal of Environmental Science and Technology Vol. 5(2), pp. 111-125, February, 2011 ... species can be interchangeably consumed in the construction industry, without altering the 5th percentile characteristic value of ... mechanical testing, the control by machine testing, the ultrasound control method, and the ...

  11. Modelling microbial growth in structured foods: towards a unified approach.

    Science.gov (United States)

    Wilson, P D G; Brocklehurst, T F; Arino, S; Thuault, D; Jakobsen, M; Lange, M; Farkas, J; Wimpenny, J W T; Van Impe, J F

    2002-03-01

    Historically, the ability of foods to support the growth of spoilage organisms and food-borne pathogens has been assessed by inoculating a food with an organism of interest, and following its growth over a period of time. Information gained from such challenge tests, together with knowledge of the organoleptic stability of the product, can then be used to determine an appropriate shelf-life for the food. Whilst this approach may be seen as the "gold-standard" of microbiological assessment of food, it is both time-consuming and costly. A major advance to complement challenge testing was the development of predictive modelling, when it was demonstrated that the growth of a wide range of organisms of interest could be quite accurately modelled as a function of only a few environmental parameters-primarily temperature, pH and water activity (a(w)), with perhaps other factors such as nitrite, organic acids and oxygen. This approach to predictive microbiology is embodied in software tools such as the UK Food MicroModel and the Pathogen Modeling Program from the USA. Whilst modelling of this form yields accurate predictions of the growth of organisms in the majority of foods, there are occasions when there are discrepancies between the model and the observed growth. These discrepancies are most often described as "fail-safe", i.e. the observed growth is slower than predicted by the model. This paper examines the role of food structure in the development of microbial populations and communities, and describes the methodologies we propose to begin to tackle some of these complex and interlinked issues.

  12. Management of acute bursitis: outcome study of a structured approach.

    Science.gov (United States)

    Stell, I M

    1999-01-01

    In patients with septic bursitis the indications for admission and surgical intervention remain unclear, and practice has varied widely. The effectiveness of a conservative outpatient based approach was assessed by an outcome study in a prospective case series. Consecutive patients attending an emergency department with acute swelling of the olecranon or prepatellar bursa were managed according to a structured approach, subjective and objective outcomes being assessed after two to three days, and subsequently as required until clinical discharge. Long-term outcomes were assessed by telephone follow-up for up to eighteen months. 47 patients were included in the study: 22 had septic bursitis, 15 of the olecranon bursa and 7 of the prepatellar bursa. The mean visual analogue pain scores of those with septic bursitis improved from 4.8 at presentation to 1.7 at first follow-up for olecranon bursitis, and from 3.8 to 2.7 for prepatellar bursitis. Symptoms improved more slowly for patients with non-septic bursitis. No patients were admitted initially, but 2 were admitted (two days each) after the first follow-up appointment. One patient had incision and drainage on the third attendance, and 3 patients developed discharging sinuses, which all healed spontaneously. All patients made a good long-term symptomatic recovery and all could lean on the elbow or kneel by the end of the follow-up period. The management protocol, with specific criteria for admission and surgical intervention, thus produced good results with little need for operation or admission. PMID:10692903

  13. Advanced welding for closed structure. Pt. 1 The magnetic approach

    Energy Technology Data Exchange (ETDEWEB)

    Sacripanti, A.; Paoloni, M.; Sagratella, G. [ENEA Centro Ricerche Casaccia, Rome (Italy). Dipt. Innovazione

    1999-07-01

    This report describes the activities developed for the European Contract BRITE AWCS III to study the use of magnetic sensing techniques to obtain an accurate detection of the internal reinforcement of the closed steel structures employed in the shipbuilding industry. After a description of the methods, techniques and problems for the magnetic testing of materials in the conventional approach, a new method was tried to obtain the wanted results. The obtained conclusion shows that the magnetic non destructive testing approach produce very small effects to measure, are too much sensible to the anisotropy of the magnetic properties of the steel plates and to the quality of the contact with the reinforcement. This system is not flexible enough to assemble a sensing for the goal of the BRITE AWCS III. [Italian] Questo rapporto descrive le attivita' sperimentali sviluppate nell'ambito del contratto europeo BRITE AWCS III, in cui si sono utilizzate tecniche magnetiche per ottenere un preciso rilevamento dei rinforzi interni di strutture metalliche chiuse utilizzate nell'industria delle costruzioni navali. Dopo la descrizione dei metodi, delle tecniche e dei problemi riguardanti il testing magnetico dei materiali, e' stato introdotto un approccio innovativo basato su elettromagneti costruiti ad hoc. Le conclusioni ottenute mostrano che nel nuovo approccio, il testing magnetico non distruttivo produce perturbazioni troppo piccole per essere correttamente apprezzate, risulta inoltre troppo legato alle anisotropie ed alla qualita' del contatto tra piatto e web ed infine esso appare poco flessibile per soddisfare le richieste tecniche del BRITE AWCS III.

  14. Scale-dependence of processes structuring dung beetle metacommunities using functional diversity and community deconstruction approaches.

    Science.gov (United States)

    Silva, Pedro Giovâni da; Hernández, Malva Isabel Medina

    2015-01-01

    Community structure is driven by mechanisms linked to environmental, spatial and temporal processes, which have been successfully addressed using metacommunity framework. The relative importance of processes shaping community structure can be identified using several different approaches. Two approaches that are increasingly being used are functional diversity and community deconstruction. Functional diversity is measured using various indices that incorporate distinct community attributes. Community deconstruction is a way to disentangle species responses to ecological processes by grouping species with similar traits. We used these two approaches to determine whether they are improvements over traditional measures (e.g., species composition, abundance, biomass) for identification of the main processes driving dung beetle (Scarabaeinae) community structure in a fragmented mainland-island landscape in southern Brazilian Atlantic Forest. We sampled five sites in each of four large forest areas, two on the mainland and two on the island. Sampling was performed in 2012 and 2013. We collected abundance and biomass data from 100 sampling points distributed over 20 sampling sites. We studied environmental, spatial and temporal effects on dung beetle community across three spatial scales, i.e., between sites, between areas and mainland-island. The γ-diversity based on species abundance was mainly attributed to β-diversity as a consequence of the increase in mean α- and β-diversity between areas. Variation partitioning on abundance, biomass and functional diversity showed scale-dependence of processes structuring dung beetle metacommunities. We identified two major groups of responses among 17 functional groups. In general, environmental filters were important at both local and regional scales. Spatial factors were important at the intermediate scale. Our study supports the notion of scale-dependence of environmental, spatial and temporal processes in the distribution

  15. Scale-dependence of processes structuring dung beetle metacommunities using functional diversity and community deconstruction approaches.

    Directory of Open Access Journals (Sweden)

    Pedro Giovâni da Silva

    Full Text Available Community structure is driven by mechanisms linked to environmental, spatial and temporal processes, which have been successfully addressed using metacommunity framework. The relative importance of processes shaping community structure can be identified using several different approaches. Two approaches that are increasingly being used are functional diversity and community deconstruction. Functional diversity is measured using various indices that incorporate distinct community attributes. Community deconstruction is a way to disentangle species responses to ecological processes by grouping species with similar traits. We used these two approaches to determine whether they are improvements over traditional measures (e.g., species composition, abundance, biomass for identification of the main processes driving dung beetle (Scarabaeinae community structure in a fragmented mainland-island landscape in southern Brazilian Atlantic Forest. We sampled five sites in each of four large forest areas, two on the mainland and two on the island. Sampling was performed in 2012 and 2013. We collected abundance and biomass data from 100 sampling points distributed over 20 sampling sites. We studied environmental, spatial and temporal effects on dung beetle community across three spatial scales, i.e., between sites, between areas and mainland-island. The γ-diversity based on species abundance was mainly attributed to β-diversity as a consequence of the increase in mean α- and β-diversity between areas. Variation partitioning on abundance, biomass and functional diversity showed scale-dependence of processes structuring dung beetle metacommunities. We identified two major groups of responses among 17 functional groups. In general, environmental filters were important at both local and regional scales. Spatial factors were important at the intermediate scale. Our study supports the notion of scale-dependence of environmental, spatial and temporal processes in

  16. Structure and mechanical properties of foils made of nanocrystalline beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Zhigalina, O. M., E-mail: zhigal@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Semenov, A. A.; Zabrodin, A. V. [Bochvar High-Technology Scientific Research Institute for Inorganic Materials (Russian Federation); Khmelenin, D. N. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Brylev, D. A.; Lizunov, A. V.; Nebera, A. L.; Morozov, I. A.; Anikin, A. S. [Bochvar High-Technology Scientific Research Institute for Inorganic Materials (Russian Federation); Orekhov, A. S.; Kuskova, A. N. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Mishin, V. V. [Peter the Great St. Petersburg Polytechnic University (Russian Federation); Seryogin, A. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2016-07-15

    The phase composition and structural features of (45–90)-μm-thick foils obtained from nanocrystalline beryllium during multistep thermomechanical treatment have been established using electron microscopy, electron diffraction, electron backscattering diffraction, and energy-dispersive analysis. This treatment is shown to lead to the formation of a structure with micrometer- and submicrometer-sized grains. The minimum average size of beryllium grains is 352 nm. The inclusions of beryllium oxide (BeO) of different modifications with tetragonal (sp. gr. P4{sub 2}/mnm) and hexagonal (sp. gr. P6{sub 3}/mmc) lattices are partly ground during deformation to a size smaller than 100 nm and are located along beryllium grain boundaries in their volume, significantly hindering migration during treatment. The revealed structural features of foils with submicrometer-sized crystallites provide the thermal stability of their structural state. Beryllium with this structure is a promising material for X-ray instrument engineering and for the production of ultrathin (less than 10 μm) vacuum-dense foils with very high physicomechanical characteristics.

  17. Conservation of structure and mechanism within the transaldolase enzyme family.

    Science.gov (United States)

    Samland, Anne K; Baier, Shiromi; Schürmann, Melanie; Inoue, Tomoyuki; Huf, Sabine; Schneider, Gunter; Sprenger, Georg A; Sandalova, Tatyana

    2012-03-01

    Transaldolase (Tal) is involved in the central carbon metabolism, i.e. the non-oxidative pentose phosphate pathway, and is therefore a ubiquitous enzyme. However, Tals show a low degree in sequence identity and vary in length within the enzyme family which previously led to the definition of five subfamilies. We wondered how this variation is conserved in structure and function. To answer this question we characterised and compared the Tals from Bacillus subtilis, Corynebacterium glutamicum and Escherichia coli, each belonging to a different subfamily, with respect to their biochemical properties and structures. The overall structure of the Tal domain, a (β/α)(8) -barrel fold, is well conserved between the different subfamilies but the enzymes show different degrees of oligomerisation (monomer, dimer and decamer). The substrate specificity of the three enzymes investigated is quite similar which is reflected in the conservation of the active site, the phosphate binding site as well as the position of a catalytically important water molecule. All decameric enzymes characterised so far appear to be heat stable no matter whether they originate from a mesophilic or thermophilic organism. Hence, the thermostability might be due to the structural properties, i.e. tight packing, of these enzymes. Database The crystal structures have been deposited in the Protein Data Bank with accession code 3R8R for BsTal and 3R5E for CgTal. © 2011 The Authors Journal compilation © 2011 FEBS.

  18. Structure and Mechanism of a Pentameric Formate Channel

    Energy Technology Data Exchange (ETDEWEB)

    Waight, A.; Love, J; Wang, D

    2010-01-01

    Formate transport across the inner membrane is a critical step in anaerobic bacterial respiration. Members of the formate/nitrite transport protein family function to shuttle substrate across the cytoplasmic membrane. In bacterial pathogens, the nitrite transport protein is involved in protecting bacteria from peroxynitrite released by host macrophages. We have determined the 2.13-{angstrom} structure of the formate channel FocA from Vibrio cholerae, which reveals a pentamer in which each monomer possesses its own substrate translocation pore. Unexpectedly, the fold of the FocA monomer resembles that found in water and glycerol channels. The selectivity filter in FocA consists of a cytoplasmic slit and a central constriction ring. A 2.5-{angstrom} high-formate structure shows two formate ions bound to the cytoplasmic slit via both hydrogen bonding and van der Waals interactions, providing a structural basis for the substrate selectivity of the channel.

  19. [Effect of mechanical grinding of Sphagnum on the structure and physiological state of bacterial communities].

    Science.gov (United States)

    Dobrovol'skaya, T G; Golovchenko, A V; Yakushev, A V; Manucharova, N A; Yurchenko, E N

    2014-01-01

    The microcosm method was used to demonstrate an increase in bacterial numbers and drastic changes in the taxonomic structure of saprotrophic bacteria as a result of mechanical grinding of Sphagnum moss. Ekkrisotrophic agrobacteria predominant in untreated moss were replaced by hydrolytic bacteria. Molecular biological approaches revealed such specific hydrolytic bacteria as Janthinobacterium agaricum and Streptomyces purpurascens among the dominant taxa. The application of kinetic technique for determination of the physiological state of bacteria in situ revealed higher functional diversity of hydrolytic bacteria in ground moss than in untreated samples. A considerable decrease of the C/N ratio in ground samples of living Sphagnum incubated using the microcosm technique indicated decomposition of this substrate.

  20. Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Gupta, Sanjay D. [V. B. Institute of Science, Department of Physics, C. U. Shah University, Wadhwan City - 363030, Surendranagar (India); Jha, Prafulla K., E-mail: prafullaj@yahoo.com [Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara-390002 (India)

    2014-05-28

    We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

  1. Contrasting grading approaches in introductory physics and quantum mechanics: The case of graduate teaching assistants

    Science.gov (United States)

    Marshman, Emily; Sayer, Ryan; Henderson, Charles; Singh, Chandralekha

    2017-06-01

    At large research universities, physics graduate teaching assistants (TAs) are often responsible for grading in courses at all levels. However, few studies have focused on TAs' grading practices in introductory and advanced physics courses. This study was designed to investigate whether physics graduate TAs grade students in introductory physics and quantum mechanics using different criteria and if so, why they may be inclined to do so. To investigate possible discrepancies in TAs' grading approaches in courses at different levels, we implemented a sequence of instructional activities in a TA professional development course that asked TAs to grade student solutions of introductory physics and upper-level quantum mechanics problems and explain why, if at all, their grading approaches were different or similar in the two contexts. We analyzed the differences in TAs' grading approaches in the two contexts and discuss the reasons they provided for the differences in their grading approaches in introductory physics and quantum mechanics in individual interviews, class discussions, and written responses. We find that a majority of the TAs graded solutions to quantum mechanics problems differently than solutions to introductory physics problems. In quantum mechanics, the TAs focused more on physics concepts and reasoning and penalized students for not showing evidence of understanding. The findings of the study have implications for TA professional development programs, e.g., the importance of helping TAs think about the difficulty of a problem from an introductory students' perspective and reflecting on the benefits of formative assessment.

  2. Contrasting grading approaches in introductory physics and quantum mechanics: The case of graduate teaching assistants

    Directory of Open Access Journals (Sweden)

    Emily Marshman

    2017-05-01

    Full Text Available At large research universities, physics graduate teaching assistants (TAs are often responsible for grading in courses at all levels. However, few studies have focused on TAs’ grading practices in introductory and advanced physics courses. This study was designed to investigate whether physics graduate TAs grade students in introductory physics and quantum mechanics using different criteria and if so, why they may be inclined to do so. To investigate possible discrepancies in TAs’ grading approaches in courses at different levels, we implemented a sequence of instructional activities in a TA professional development course that asked TAs to grade student solutions of introductory physics and upper-level quantum mechanics problems and explain why, if at all, their grading approaches were different or similar in the two contexts. We analyzed the differences in TAs’ grading approaches in the two contexts and discuss the reasons they provided for the differences in their grading approaches in introductory physics and quantum mechanics in individual interviews, class discussions, and written responses. We find that a majority of the TAs graded solutions to quantum mechanics problems differently than solutions to introductory physics problems. In quantum mechanics, the TAs focused more on physics concepts and reasoning and penalized students for not showing evidence of understanding. The findings of the study have implications for TA professional development programs, e.g., the importance of helping TAs think about the difficulty of a problem from an introductory students’ perspective and reflecting on the benefits of formative assessment.

  3. A microstructure-guided constitutive modeling approach for random heterogeneous materials: Application to structural binders

    Energy Technology Data Exchange (ETDEWEB)

    Das, Sumanta; Maroli, Amit; Singh, Sudhanshu S.; Stannard, Tyler; Xiao, Xianghui; Chawla, Nikhilesh; Neithalath, Narayanan

    2016-06-01

    This paper presents a microstructure-guided modeling approach to predict the effective elastic response of heterogeneous materials, and demonstrates its application toward two highly heterogeneous, uncon- ventional structural binders, i.e., iron carbonate and fly ash geopolymer. Microstructural information from synchrotron X-ray tomography (XRT) and intrinsic elastic properties of component solid phases from statistical nanoindentation are used as the primary inputs. The virtual periodic 3D microstructure reconstructed using XRT, along with periodic boundary conditions is used as a basis for strain- controlled numerical simulation scheme in the linear elastic range to predict the elastic modulus as well as the stresses in the microstructural phases. The elastic modulus of the composite material predicted from the microstructure-based constitutive modeling approach correlates very well with experimental measurements for both the materials considered. This technique efficiently links the microstructure to mechanical properties of interest and helps develop material design guidelines for novel heterogeneous composites

  4. A structural model for the flexural mechanics of nonwoven tissue engineering scaffolds.

    Science.gov (United States)

    Engelmayr, George C; Sacks, Michael S

    2006-08-01

    The development of methods to predict the strength and stiffness of biomaterials used in tissue engineering is critical for load-bearing applications in which the essential functional requirements are primarily mechanical. We previously quantified changes in the effective stiffness (E) of needled nonwoven polyglycolic acid (PGA) and poly-L-lactic acid (PLLA) scaffolds due to tissue formation and scaffold degradation under three-point bending. Toward predicting these changes, we present a structural model for E of a needled nonwoven scaffold in flexure. The model accounted for the number and orientation of fibers within a representative volume element of the scaffold demarcated by the needling process. The spring-like effective stiffness of the curved fibers was calculated using the sinusoidal fiber shapes. Structural and mechanical properties of PGA and PLLA fibers and PGA, PLLA, and 50:50 PGA/PLLA scaffolds were measured and compared with model predictions. To verify the general predictive capability, the predicted dependence of E on fiber diameter was compared with experimental measurements. Needled nonwoven scaffolds were found to exhibit distinct preferred (PD) and cross-preferred (XD) fiber directions, with an E ratio (PD/XD) of approximately 3:1. The good agreement between the predicted and experimental dependence of E on fiber diameter (R2 = 0.987) suggests that the structural model can be used to design scaffolds with E values more similar to native soft tissues. A comparison with previous results for cell-seeded scaffolds (Engelmayr, G. C., Jr., et al., 2005, Biomaterials, 26(2), pp. 175-187) suggests, for the first time, that the primary mechanical effect of collagen deposition is an increase in the number of fiber-fiber bond points yielding effectively stiffer scaffold fibers. This finding indicated that the effects of tissue deposition on needled nonwoven scaffold mechanics do not follow a rule-of-mixtures behavior. These important results underscore

  5. National Atlas of Arctic: structure and creation approaches

    Directory of Open Access Journals (Sweden)

    N. S. Kasimov

    2015-01-01

    Full Text Available On the instructions of President and Government of the Russian Federation, works for development of National Atlas of Arctic are started in the country. In this article the authors present their ideas from viewpoint of geographers who are well experienced in the field of cartographic works. A structure of future Atlas and lines of approaches to its development are proposed. The totality of experiences of preparation of other geographical atlases in both, the USSR and Russia, as well as the latest achievements of cartography, aerospace sources and GIS-technologies are recommended to be used. The National Atlas of Arctic is understood as a collection of knowledge of spatial-temporal information about geographical, ecological, economic, historical-ethnographic, cultural and social features of the Arctic. This cartographic model of the territory is designed for using in a wide range of scientific, managing, economic, defensive and social activities. A hard copy of the atlas is intended to be used as scientific-reference publication while its electronic version will make it possible to renovate its content and to improve it by means of actualization according to various directions of its practical use 16 sections proposed in a draft of the Atlas content are as follows: introductory, geological structure, relief, mineral resources, environment evolution, climate, land waters, seas, seashores, snow cover, glaciers, permafrost, soils, flora and fauna, state of the environment and the Nature protection, population, economics, and prospects for future. The popular-scientific edition of the Atlas is intended for use by wide circle of readers and also as a textbook for all levels of education. Presentation of material in the Atlas should combine a high scientific level and accessible language. In a popular form it will clarify traditions of careful treatment to the Nature and the nature-protective ethics of religious confessions of local people

  6. Estimating summary measures of health: a structured workbook approach

    Directory of Open Access Journals (Sweden)

    Le Petit Christel

    2005-05-01

    . Conclusion The structured workbook approach offers researchers an efficient, easy to use, and easy to understand set of tools for estimating HALY and PAF summary measures for their country or region of interest.

  7. Mechanics of cantilever beam: Implementation and comparison of FEM and MLPG approach

    Energy Technology Data Exchange (ETDEWEB)

    Trobec, Roman [Jožef Stefan Institute, Jamova 39 (Slovenia)

    2016-06-08

    Two weak form solution approaches for partial differential equations, the well known meshbased finite element method and the newer meshless local Petrov Galerkin method are described and compared on a standard test case - mechanics of cantilever beam. The implementation, solution accuracy and calculation complexity are addressed for both approaches. We found out that FEM is superior in most standard criteria, but MLPG has some advantages because of its flexibility that results from its general formulation.

  8. Structure and mechanism of ATP-dependent phospholipid transporters

    DEFF Research Database (Denmark)

    Lopez Marques, Rosa Laura; Poulsen, Lisbeth Rosager; Bailly, Aurélien

    2015-01-01

    , despite differences in overall architecture, both appear to operate by an alternating access mechanism and during transport they might allow access of phospholipids to the internal part of the transmembrane domain. The latter feature is obvious for ABC transporters, but phospholipids and other hydrophobic......Background ATP-binding cassette (ABC) transporters and P4-ATPases are two large and seemingly unrelated families of primary active pumps involved in moving phospholipids from one leaflet of a biological membrane to the other. Scope of review This review aims to identify common mechanistic features...... in the way phospholipid flipping is carried out by two evolutionarily unrelated families of transporters. Major conclusions Both protein families hydrolyze ATP, although they employ different mechanisms to use it, and have a comparable size with twelve transmembrane segments in the functional unit. Further...

  9. Parameter Estimation of Structural Equation Modeling Using Bayesian Approach

    Directory of Open Access Journals (Sweden)

    Dewi Kurnia Sari

    2016-05-01

    Full Text Available Leadership is a process of influencing, directing or giving an example of employees in order to achieve the objectives of the organization and is a key element in the effectiveness of the organization. In addition to the style of leadership, the success of an organization or company in achieving its objectives can also be influenced by the commitment of the organization. Where organizational commitment is a commitment created by each individual for the betterment of the organization. The purpose of this research is to obtain a model of leadership style and organizational commitment to job satisfaction and employee performance, and determine the factors that influence job satisfaction and employee performance using SEM with Bayesian approach. This research was conducted at Statistics FNI employees in Malang, with 15 people. The result of this study showed that the measurement model, all significant indicators measure each latent variable. Meanwhile in the structural model, it was concluded there are a significant difference between the variables of Leadership Style and Organizational Commitment toward Job Satisfaction directly as well as a significant difference between Job Satisfaction on Employee Performance. As for the influence of Leadership Style and variable Organizational Commitment on Employee Performance directly declared insignificant.

  10. Multifunctional Thermal Structures Using Cellular Contract-Aided Complaint Mechanisms

    Science.gov (United States)

    2017-01-26

    20   4.3.3  Thermo-­‐mechanical  governing   equations ...component of Air Force satellites . These modules are designed to operate near room temperature (say 273 K – 293 K) and they can generate significant...proved to be unreliable in processing the relatively large 316L particulates with low edge resolution because of large grains (~100 microns grain

  11. Molecular dynamics simulation of nanocrystalline nickel: structure and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Swygenhoven, H. van [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Caro, A. [Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche

    1997-09-01

    Molecular dynamics computer simulations of low temperature elastic and plastic deformation of Ni nanophase samples (3-7 nm) are performed. The samples are polycrystals nucleated from different seeds, with random locations and orientations. Bulk and Young`s modulus, onset of plastic deformation and mechanism responsible for the plastic behaviour are studied and compared with the behaviour of coarse grained samples. (author) 1 fig., 3 refs.

  12. Role of tissue structure on ventricular wall mechanics

    OpenAIRE

    Coppola, Benjamin A.; Omens, Jeffrey H.

    2008-01-01

    It is well known that systolic wall thickening in the inner half of the left ventricular (LV) wall is of greater magnitude than predicted by myofiber contraction alone. Previous studies have related the deformation of the LV wall to the orientation of the laminar architecture. Using this method, wall thickening can be interpreted as the sum of contributions due to extension, thickening, and shearing of the laminar sheets. We hypothesized that the thickening mechanics of the ventricular wall a...

  13. Structure and Mechanical Behaviour of Wood-Fibre Composites

    OpenAIRE

    Joffre, Thomas

    2014-01-01

    Wood fibres have several advantages compared to man-made synthetic fibres: they have high specific stiffness, are renewable, relatively inexpensive, available in industrial quantities and biodegradable. However, to increase and diversify their utilisation, it is necessary to increase the understanding on what controls their mechanical properties. In this work, the hygroelastic behaviour of isolated wood fibres has been investigated using an analytical model and a finite element model based on...

  14. comparison of chemical nano structure, rheological and mechanical ...

    African Journals Online (AJOL)

    dell

    Although changing in formulation of long oil alkyd resin through replacing maleic anhydride with phetalic anhydride not only made the stereo structure of the alkyd molecule bigger but also reduced the condensation time of esterification reaction. Therefore the viscosity of resin increased within the same time interval (Vaso et ...

  15. The wonders of flap endonucleases: structure, function, mechanism and regulation.

    Science.gov (United States)

    Finger, L David; Atack, John M; Tsutakawa, Susan; Classen, Scott; Tainer, John; Grasby, Jane; Shen, Binghui

    2012-01-01

    Processing of Okazaki fragments to complete lagging strand DNA synthesis requires coordination among several proteins. RNA primers and DNA synthesised by DNA polymerase α are displaced by DNA polymerase δ to create bifurcated nucleic acid structures known as 5'-flaps. These 5'-flaps are removed by Flap Endonuclease 1 (FEN), a structure-specific nuclease whose divalent metal ion-dependent phosphodiesterase activity cleaves 5'-flaps with exquisite specificity. FENs are paradigms for the 5' nuclease superfamily, whose members perform a wide variety of roles in nucleic acid metabolism using a similar nuclease core domain that displays common biochemical properties and structural features. A detailed review of FEN structure is undertaken to show how DNA substrate recognition occurs and how FEN achieves cleavage at a single phosphate diester. A proposed double nucleotide unpairing trap (DoNUT) is discussed with regards to FEN and has relevance to the wider 5' nuclease superfamily. The homotrimeric proliferating cell nuclear antigen protein (PCNA) coordinates the actions of DNA polymerase, FEN and DNA ligase by facilitating the hand-off intermediates between each protein during Okazaki fragment maturation to maximise through-put and minimise consequences of intermediates being released into the wider cellular environment. FEN has numerous partner proteins that modulate and control its action during DNA replication and is also controlled by several post-translational modification events, all acting in concert to maintain precise and appropriate cleavage of Okazaki fragment intermediates during DNA replication.

  16. Piezoelectric and mechanical properties of structured PZT–epoxy composites

    NARCIS (Netherlands)

    Kunnamkuzhakkal James, N.; Van den Ende, D.; Lafont, U.; Van der Zwaag, S.; Groen, W.A.

    2013-01-01

    Structured lead zirconium titanate (PZT)–epoxy composites are prepared by dielectrophoresis. The piezoelectric and dielectric properties of the composites as a function of PZT volume fraction are investigated and compared with the corresponding unstructured composites. The effect of poling voltage

  17. Piezoelectric and mechanical properties of structured PZT-epoxy composites

    NARCIS (Netherlands)

    James, N.K.; Ende, D.A. van den; Lafont, U.; Zwaag, S. van der; Groen, W.A.

    2013-01-01

    Structured lead zirconium titanate (PZT)-epoxy composites are prepared by dielectrophoresis. The piezoelectric and dielectric properties of the composites as a function of PZT volume fraction are investigated and compared with the corresponding unstructured composites. The effect of poling voltage

  18. Adsorbed Polymer Nanolayers on Solids: Mechanism, Structure and Applications

    Science.gov (United States)

    Sen, Mani Kuntal

    In this thesis, by combining various advanced x-ray scattering, spectroscopic and other surface sensitive characterization techniques, I report the equilibrium polymer chain conformations, structures, dynamics and properties of polymeric materials at the solid-polymer melt interfaces. Following the introduction, in chapter 2, I highlight that the backbone chains (constituted of CH and CH2 groups) of the flattened polystyrene (PS) chains preferentially orient normal to the weakly interactive substrate surface via thermal annealing regardless of the initial chain conformations, while the orientation of the phenyl rings becomes randomized, thereby increasing the number of surface-segmental contacts (i.e., enthalpic gain) which is the driving force for the flattening process of the polymer chains even onto a weakly interactive solid. In chapter 3, I elucidate the flattened structures in block copolymer (BCP) thin films where both blocks lie flat on the substrate, forming a 2D randomly phase-separated structure irrespective of their microdomain structures and interfacial energetics. In chapter 4, I reveal the presence of an irreversibly adsorbed BCP layer which showed suppressed dynamics even at temperatures far above the individual glass transition temperatures of the blocks. Furthermore, this adsorbed BCP layer plays a crucial role in controlling the microdomain orientation in the entire film. In chapter 5, I report a radically new paradigm of designing a polymeric coating layer of a few nanometers thick ("polymer nanolayer") with anti-biofouling properties.

  19. Low temperature mechanical properties of metallic glasses - Connection with structure

    NARCIS (Netherlands)

    Bengus, VZ; Tabachnikova, ED; Duhaj, P; Ocelik, Vaclav

    1997-01-01

    Available data on plasticity and strength of metallic glasses below the room temperature (down to 0.5 K) are considered and explained on the basis of the polycluster model of amorphous solids especially with taking into consideration possible atomic structure of clusters and defects of intercluster

  20. Structural Mechanisms of Inactivation in Scabies Mite Serine Protease Paralogues

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Katja; Langendorf, Christopher G.; Irving, James A.; Reynolds, Simone; Willis, Charlene; Beckham, Simone; Law, Ruby H.P.; Yang, Sundy; Bashtannyk-Puhalovich, Tanya A.; McGowan, Sheena; Whisstock, James C.; Pike, Robert N.; Kemp, David J.; Buckle, Ashley M.; (Monash); (Queensland Inst. of Med. Rsrch.)

    2009-08-07

    The scabies mite (Sarcoptes scabiei) is a parasite responsible for major morbidity in disadvantaged communities and immuno-compromised patients worldwide. In addition to the physical discomfort caused by the disease, scabies infestations facilitate infection by Streptococcal species via skin lesions, resulting in a high prevalence of rheumatic fever/heart disease in affected communities. The scabies mite produces 33 proteins that are closely related to those in the dust mite group 3 allergen and belong to the S1-like protease family (chymotrypsin-like). However, all but one of these molecules contain mutations in the conserved active-site catalytic triad that are predicted to render them catalytically inactive. These molecules are thus termed scabies mite inactivated protease paralogues (SMIPPs). The precise function of SMIPPs is unclear; however, it has been suggested that these proteins might function by binding and protecting target substrates from cleavage by host immune proteases, thus preventing the host from mounting an effective immune challenge. In order to begin to understand the structural basis for SMIPP function, we solved the crystal structures of SMIPP-S-I1 and SMIPP-S-D1 at 1.85 {angstrom} and 2.0 {angstrom} resolution, respectively. Both structures adopt the characteristic serine protease fold, albeit with large structural variations over much of the molecule. In both structures, mutations in the catalytic triad together with occlusion of the S1 subsite by a conserved Tyr200 residue is predicted to block substrate ingress. Accordingly, we show that both proteases lack catalytic function. Attempts to restore function (via site-directed mutagenesis of catalytic residues as well as Tyr200) were unsuccessful. Taken together, these data suggest that SMIPPs have lost the ability to bind substrates in a classical 'canonical' fashion, and instead have evolved alternative functions in the lifecycle of the scabies mite.

  1. On the Control of Social Approach-Avoidance Behavior: Neural and Endocrine Mechanisms.

    Science.gov (United States)

    Kaldewaij, Reinoud; Koch, Saskia B J; Volman, Inge; Toni, Ivan; Roelofs, Karin

    The ability to control our automatic action tendencies is crucial for adequate social interactions. Emotional events trigger automatic approach and avoidance tendencies. Although these actions may be generally adaptive, the capacity to override these emotional reactions may be key to flexible behavior during social interaction. The present chapter provides a review of the neuroendocrine mechanisms underlying this ability and their relation to social psychopathologies. Aberrant social behavior, such as observed in social anxiety or psychopathy, is marked by abnormalities in approach-avoidance tendencies and the ability to control them. Key neural regions involved in the regulation of approach-avoidance behavior are the amygdala, widely implicated in automatic emotional processing, and the anterior prefrontal cortex, which exerts control over the amygdala. Hormones, especially testosterone and cortisol, have been shown to affect approach-avoidance behavior and the associated neural mechanisms. The present chapter also discusses ways to directly influence social approach and avoidance behavior and will end with a research agenda to further advance this important research field. Control over approach-avoidance tendencies may serve as an exemplar of emotional action regulation and might have a great value in understanding the underlying mechanisms of the development of affective disorders.

  2. Mechanical properties and the electronic structure of transition metal alloys. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Arsenault, R.J.; Drew, H.D.

    1977-01-01

    This interdiscipline research program was undertaken in an effort to investigate the relationship between the mechanical strength of Mo-based alloys with their electronic structure. Electronic properties of these alloys were examined through optical studies, and the classical solid solution strengthening mechanisms were considered, based on size and molecular differences to determine if these mechanisms could explain the hardness data.

  3. Mechanical properties and the electronic structure of transition of metal alloys

    Science.gov (United States)

    Arsenault, R. J.; Drew, H. D.

    1977-01-01

    This interdiscipline research program was undertaken in an effort to investigate the relationship between the mechanical strength of Mo based alloys with their electronic structure. Electronic properties of these alloys were examined through optical studies, and the classical solid solution strengthening mechanisms were considered, based on size and molecular differences to determine if these mechanisms could explain the hardness data.

  4. Toward structural mechanics through wooden bridges in France (1716-1841)

    CERN Document Server

    Tardini, Chiara

    2014-01-01

    Early applications of Navier’s beam theory to the rational design of structures are documented in the Annales of the French Ecole des Ponts et Chaussées and refer to the design of three wooden bridges built in France in the 1840's. Revisiting these examples, the book provides documentation on the progressive establishment of the new design approach, based on the theory of structural mechanics rather than empirical knowledge. The bridges concerned were built according to the structural scheme patented by Ithiel Town in the USA, witnessing the diffusion in Europe of the American advancements in bridge design, circulated by the travel reports of French engineers from the Ecole. Through the exam of French treatises discussing the progress of theoretical formulations in parallel with experimental findings in the 18th and 19th centuries, the book retraces as well the long path which led to the formulation of Navier’s theory. The relevant scientific debate dealt mainly with the specific case of wood bridges; th...

  5. From structure to mechanism-understanding initiation of DNA replication.

    Science.gov (United States)

    Riera, Alberto; Barbon, Marta; Noguchi, Yasunori; Reuter, L Maximilian; Schneider, Sarah; Speck, Christian

    2017-06-01

    DNA replication results in the doubling of the genome prior to cell division. This process requires the assembly of 50 or more protein factors into a replication fork. Here, we review recent structural and biochemical insights that start to explain how specific proteins recognize DNA replication origins, load the replicative helicase on DNA, unwind DNA, synthesize new DNA strands, and reassemble chromatin. We focus on the minichromosome maintenance (MCM2-7) proteins, which form the core of the eukaryotic replication fork, as this complex undergoes major structural rearrangements in order to engage with DNA, regulate its DNA-unwinding activity, and maintain genome stability. © 2017 Riera et al.; Published by Cold Spring Harbor Laboratory Press.

  6. Structure and permeation mechanism of a mammalian urea transporter

    Energy Technology Data Exchange (ETDEWEB)

    Levin, Elena J.; Cao, Yu; Enkavi, Giray; Quick, Matthias; Pan, Yaping; Tajkhorshid, Emad; Zhou, Ming (UIUC); (Columbia)

    2012-09-17

    As an adaptation to infrequent access to water, terrestrial mammals produce urine that is hyperosmotic to plasma. To prevent osmotic diuresis by the large quantity of urea generated by protein catabolism, the kidney epithelia contain facilitative urea transporters (UTs) that allow rapid equilibration between the urinary space and the hyperosmotic interstitium. Here we report the first X-ray crystal structure of a mammalian UT, UT-B, at a resolution of 2.36 {angstrom}. UT-B is a homotrimer and each protomer contains a urea conduction pore with a narrow selectivity filter. Structural analyses and molecular dynamics simulations showed that the selectivity filter has two urea binding sites separated by an approximately 5.0 kcal/mol energy barrier. Functional studies showed that the rate of urea conduction in UT-B is increased by hypoosmotic stress, and that the site of osmoregulation coincides with the location of the energy barrier.

  7. Unwinding the twister ribozyme: from structure to mechanism.

    Science.gov (United States)

    Gebetsberger, Jennifer; Micura, Ronald

    2017-05-01

    The twister ribozyme motif has been identified by bioinformatic means very recently. Currently, four crystal structures with ordered active sites together with a series of chemical and biochemical data provide insights into how this RNA accomplishes its efficient self-cleavage. Of particular interest for a mechanistic proposal are structural distinctions observed in the active sites that concern the conformation of the U-A cleavage site dinucleotide (in-line alignment of the attacking 2'-O nucleophile to the to-be-cleaved PO5' bond versus suboptimal alignments) as well as the presence/absence of Mg2+ ions at the scissile phosphate. All structures support the notion that an active site guanine and the conserved adenine at the cleavage site are important contributors to cleavage chemistry, likely being involved in general acid base catalysis. Evidence for innersphere coordination of a Mg2+ ion to the pro-S nonbridging oxygen of the scissile phosphate stems from two of the four crystal structures. Together with the finding of thio/rescue effects for phosphorothioate substrates, this suggests the participation of divalent ions in the overall catalytic strategy employed by twister ribozymes. In this context, it is notable that twister retains wild-type activity when the phylogenetically conserved stem P1 is deleted, able to cleave a single nucleotide only. WIREs RNA 2017, 8:e1402. doi: 10.1002/wrna.1402 For further resources related to this article, please visit the WIREs website. © 2016 The Authors. WIREs RNA published by Wiley Periodicals, Inc.

  8. Structural and mechanical characterisation of bridging veins: A review.

    Science.gov (United States)

    Famaey, Nele; Ying Cui, Zhao; Umuhire Musigazi, Grace; Ivens, Jan; Depreitere, Bart; Verbeken, Erik; Vander Sloten, Jos

    2015-01-01

    Bridging veins drain the venous blood from the cerebral cortex into the superior sagittal sinus (SSS) and doing so they bridge the subdural space. Despite their importance in head impact biomechanics, little is known about their properties with respect to histology, morphology and mechanical behaviour. Knowledge of these characteristics is essential for creating a biofidelic finite element model to study the biomechanics of head impact, ultimately leading to the improved design of protective devices by setting up tolerance criteria. This paper presents a comprehensive review of the state-of-the-art knowledge on bridging veins. Tolerance criteria to prevent head injury through impact have been set by a number of research groups, either directly through impact experiments or by means of finite element (FE) simulations. Current state-of-the-art FE head models still lack a biofidelic representation of the bridging veins. To achieve this, a thorough insight into their nature and behaviour is required. Therefore, an overview of the general morphology and histology is provided here, showing the clearly heterogeneous nature of the bridging vein complex, with its three different layers and distinct morphological and histological changes at the region of outflow into the superior sagittal sinus. Apart from a complex morphology, bridging veins also exhibit complex mechanical behaviour, being nonlinear, viscoelastic and prone to damage. Existing material models capable of capturing these properties, as well as methods for experimental characterisation, are discussed. Future work required in bridging vein research is firstly to achieve consensus on aspects regarding morphology and histology, especially in the outflow cuff segment. Secondly, the advised material models need to be populated with realistic parameters through biaxial mechanical experiments adapted to the dimensions of the bridging vein samples. Finally, updating the existing finite element head models with these

  9. Structure and mechanism of human DNA polymerase [eta

    Energy Technology Data Exchange (ETDEWEB)

    Biertümpfel, Christian; Zhao, Ye; Kondo, Yuji; Ramón-Maiques, Santiago; Gregory, Mark; Lee, Jae Young; Masutani, Chikahide; Lehmann, Alan R.; Hanaoka, Fumio; Yang, Wei (Sussex); (NIH); (Gakushuin); (Osaka)

    2010-11-03

    The variant form of the human syndrome xeroderma pigmentosum (XPV) is caused by a deficiency in DNA polymerase {eta} (Pol{eta}), a DNA polymerase that enables replication through ultraviolet-induced pyrimidine dimers. Here we report high-resolution crystal structures of human Pol{eta} at four consecutive steps during DNA synthesis through cis-syn cyclobutane thymine dimers. Pol{eta} acts like a 'molecular splint' to stabilize damaged DNA in a normal B-form conformation. An enlarged active site accommodates the thymine dimer with excellent stereochemistry for two-metal ion catalysis. Two residues conserved among Pol{eta} orthologues form specific hydrogen bonds with the lesion and the incoming nucleotide to assist translesion synthesis. On the basis of the structures, eight Pol{eta} missense mutations causing XPV can be rationalized as undermining the molecular splint or perturbing the active-site alignment. The structures also provide an insight into the role of Pol{eta} in replicating through D loop and DNA fragile sites.

  10. Complete Structural Model of Escherichia coli RNA Polymerase from a Hybrid Approach

    Energy Technology Data Exchange (ETDEWEB)

    Opalka, N.; Brown, J; Lane, W; Twist, K; Landick, R; Asturias, F; Darst, S

    2010-01-01

    The Escherichia coli transcription system is the best characterized from a biochemical and genetic point of view and has served as a model system. Nevertheless, a molecular understanding of the details of E. coli transcription and its regulation, and therefore its full exploitation as a model system, has been hampered by the absence of high-resolution structural information on E. coli RNA polymerase (RNAP). We use a combination of approaches, including high-resolution X-ray crystallography, ab initio structural prediction, homology modeling, and single-particle cryo-electron microscopy, to generate complete atomic models of E. coli core RNAP and an E. coli RNAP ternary elongation complex. The detailed and comprehensive structural descriptions can be used to help interpret previous biochemical and genetic data in a new light and provide a structural framework for designing experiments to understand the function of the E. coli lineage-specific insertions and their role in the E. coli transcription program. Transcription, or the synthesis of RNA from DNA, is one of the most important processes in the cell. The central enzyme of transcription is the DNA-dependent RNA polymerase (RNAP), a large, macromolecular assembly consisting of at least five subunits. Historically, much of our fundamental information on the process of transcription has come from genetic and biochemical studies of RNAP from the model bacterium Escherichia coli. More recently, major breakthroughs in our understanding of the mechanism of action of RNAP have come from high resolution crystal structures of various bacterial, archaebacterial, and eukaryotic enzymes. However, all of our high-resolution bacterial RNAP structures are of enzymes from the thermophiles Thermus aquaticus or T. thermophilus, organisms with poorly characterized transcription systems. It has thus far proven impossible to obtain a high-resolution structure of E. coli RNAP, which has made it difficult to relate the large collection

  11. From an understanding of structural restoration mechanisms towards a selective processing of extreme nanolamellar structures

    Science.gov (United States)

    Renk, O.; Ghosh, P.; Pippan, R.

    2017-07-01

    It has been successfully proven that severe cold deformation can be used to generate bulk nanostructured materials. However, there is a limit to grain refinement, as recovery processes, together with grain boundary and triple junction motion, occur to continuously fragment and remove grains. Although believed to be mechanically driven at low temperatures, it is clear that such movement can be thermally assisted, as reflected in decreased grain aspect ratios at elevated deformation temperatures. Interestingly, for tantalum, a different behaviour can be found. Grain aspect ratios after high pressure torsion increase steadily up to deformation temperatures of 673 K before dropping again. Moreover, extremely large aspect ratios of 10 can be generated. The reasons for this behaviour are discussed and it is suggested from results based on nickel that this phenomenon can be adapted to any metal. This offers the possibility to selectively process materials with extreme grain aspect ratios, to achieve structures which are thought to be the key to the design of materials that combine both, exceptional strength and good damage tolerance.

  12. A biomimetic approach for designing stent-graft structures: Caterpillar cuticle as design model.

    Science.gov (United States)

    Singh, Charanpreet; Wang, Xungai

    2014-02-01

    Stent-graft (SG) induced biomechanical mismatch at the aortic repair site forms the major reason behind postoperative hemodynamic complications. These complications arise from mismatched radial compliance and stiffness property of repair device relative to native aortic mechanics. The inability of an exoskeleton SG design (an externally stented rigid polyester graft) to achieve optimum balance between structural robustness and flexibility constrains its biomechanical performance limits. Therefore, a new SG design capable of dynamically controlling its stiffness and flexibility has been proposed in this study. The new design is adopted from the segmented hydroskeleton structure of a caterpillar cuticle and comprises of high performance polymeric filaments constructed in a segmented knit architecture. Initially, conceptual design models of caterpillar and SG were developed and later translated into an experimental SG prototype. The in-vitro biomechanical evaluation (compliance, bending moment, migration intensity, and viscoelasticity) revealed significantly better performance of hydroskeleton structure than a commercial SG device (Zenith(™) Flex SG) and woven Dacron(®) graft-prosthesis. Structural segmentation improved the biomechanical behaviour of new SG by inducing a three dimensional volumetric expansion property when the SG was subjected to hoop stresses. Interestingly, this behaviour matches the orthotropic elastic property of native aorta and hence proposes segmented hydroskeleton structures as promising design approach for future aortic repair devices. © 2013 Published by Elsevier Ltd.

  13. Structure and mechanical properties of polyamide 6/Brazilian clay nanocomposites

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    Amanda Melissa Damião Leite

    2009-06-01

    Full Text Available Recent interest in polymer/organoclays nanocomposites systems is motivated by the possibility of achieving enhanced properties and added functionality at lower clay loading as compared to conventional micron size fillers. By adding montmorillonite clay to polyamide 6 increases the Young modulus, yield strength and also improves barrier properties. In this work, nanocomposites of polyamide 6 with montmorillonite clay were obtained. The clay was chemically modified with three different quaternary ammonium salts such as: Dodigen, Genamin and Cetremide. In this case, a dispersion of Na-MMT was stirred and a salt equivalent to 1:1 of cation exchange capacity (CEC of Na-MMT was added to the dispersion. The montmorillonite clay (untreated and treated by ammonium salts and nanocomposites were characterized by X ray diffractions. Also the nanocomposites were characterized by transmission electron microscopy and mechanical properties. The results indicated that all the quaternary ammonium salts were intercalated between the layers of clay, leading to an expansion of the interlayer spacing. The obtained nanocomposites showed better mechanical properties when compared to polyamide 6. The clay acted as reinforcing filler, increasing the rigidity of nanocomposites and decreasing its ductility.

  14. Moving Aerospace Structural Design Practice to a Load and Resistance Factor Approach

    Science.gov (United States)

    Larsen, Curtis E.; Raju, Ivatury S.

    2016-01-01

    Aerospace structures are traditionally designed using the factor of safety (FOS) approach. The limit load on the structure is determined and the structure is then designed for FOS times the limit load - the ultimate load. Probabilistic approaches utilize distributions for loads and strengths. Failures are predicted to occur in the region of intersection of the two distributions. The load and resistance factor design (LRFD) approach judiciously combines these two approaches by intensive calibration studies on loads and strength to result in structures that are efficient and reliable. This paper discusses these three approaches.

  15. Systematic approach to the formation of management mechanism of construction enterprises innovation activity

    Directory of Open Access Journals (Sweden)

    Andrusiv Uliana Yaroslavivna

    2016-12-01

    Full Text Available In the article offered at development of methodical approach to formation of mechanism of management of innovations at constructive industry enterprises. For achieving the goal the following research methods were used: method of theoretical generalization, abstraction, systematic approach, logical. For improving competitiveness and consolidation in the market enterprises of constructive industry should work in the direction of increasing effectiveness of management of business on innovative basis. With the aim at achieving appropriate effectiveness we suggest applying systematic approach which is based on the concept of mechanism of management. Categorical apparatus is developed and generalized. The mechanism of management of innovations is suggested to consider as a set of methods, instruments and technologies of management which enable implementation of economical, technological, administrative, legal and social measures and achievement of goals and tasks permits to achieve the target level of innovations and economic growth of an enterprise. We suggest methodical approach which presupposes sequence of stages in identification of factors for formation of system of indicators and evaluation of level of innovations at enterprises, choice of their target level, optimization of indicators, developing support and action mechanism. We developed a survey questionnaire for revealing factors which have negative influence on innovations at enterprises of constructive industry.

  16. The Teaching of Mechanics: Some Criticisms, and Suggestions for a Rational Approach

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    Atkin, Keith

    2015-01-01

    This paper examines the common confusion associated with the meaning of mass encountered in modern textbooks, and describes some of the misconceptions to be found in the teaching of mechanics. A new teaching approach is suggested, which may provide a more logical basis for these important ideas.

  17. Correlation of Structural and Macroscopic Properties of Starches with Their Tabletability Using the SM(2) Approach.

    Science.gov (United States)

    Dave, Vivek S; Chanda, Monica; Sayles, Matt; Popielarczyk, Michael; Boyce, Heather; Bompelliwar, Sai Krishna; Bates, Simon; Morris, Ken R; Haware, Rahul V

    2015-11-01

    The effects of PURE-DENT® and SPRESS® starch properties on their compression behavior was characterized using "SM(2) " approach (structural properties, macroscopic properties, and multivariate analysis). Moisture sorption rate constants, moisture content, amylose and amylopectin degradation enthalpy, percent crystallinity, amylose-amylopectin ratio, and cross-linking degree were used to profile starch structural properties. Particle density, particle size distribution, and Heckel compression descriptors [yield pressure (YP) of plastic deformation, and elastic recovery] were used as macroscopic descriptors. The structural and macroscopic properties were correlated qualitatively [principal component analysis (PCA)] and quantitatively [standard least square regression (SLSR)] with the tablet mechanical strength (TMS). These analyses revealed that the differences correlated with amylose-amylopectin content, particle density, compression mechanisms, and TMS between the starch grades. Univariate analysis proved lacking; however, PCA identified the particle size, moisture content, percent crystallinity, amylose-amylopectin ratio, and YP of plastic deformation and elastic recovery as the main factors influencing the starch TMS. SLSR quantified the positive influence of Fourier transform infrared spectra absorbance ratio at 1022-1003 and YP of the immediate elastic recovery, and the negative contribution of amylopectin content on the TMS. Therefore, starch amylose and amylopectin content, crystallinity, and lower elastic recovery are mainly responsible for better TMS. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  18. Mechanical properties and the laminate structure of Arapaima gigas scales.

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    Lin, Y S; Wei, C T; Olevsky, E A; Meyers, Marc A

    2011-10-01

    The Arapaima gigas scales play an important role in protecting this large Amazon basin fish against predators such as the piranha. They have a laminate composite structure composed of an external mineralized layer and internal lamellae with thickness of 50-60 μm each and composed of collagen fibers with ~1 μm diameter. The alignment of collagen fibers is consistent in each individual layer but varies from layer to layer, forming a non-orthogonal plywood structure, known as Bouligand stacking. X-ray diffraction revealed that the external surface of the scale contains calcium-deficient hydroxyapatite. EDS results confirm that the percentage of calcium is higher in the external layer. The micro-indentation hardness of the external layer (550 MPa) is considerably higher than that of the internal layer (200 MPa), consistent with its higher degree of mineralization. Tensile testing of the scales carried out in the dry and wet conditions shows that the strength and stiffness are hydration dependent. As is the case of most biological materials, the elastic modulus of the scale is strain-rate dependent. The strain-rate dependence of the elastic modulus, as expressed by the Ramberg-Osgood equation, is equal to 0.26, approximately ten times higher than that of bone. This is attributed to the higher fraction of collagen in the scales and to the high degree of hydration (30% H(2)O). Deproteinization of the scale reveals the structure of the mineral component consisting of an interconnected network of platelets with a thickness of ~50 nm and diameter of ~500 nm. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Anomaly detection for a vibrating structure: A subspace identification/tracking approach.

    Science.gov (United States)

    Candy, J V; Franco, S N; Ruggiero, E L; Emmons, M C; Lopez, I M; Stoops, L M

    2017-08-01

    Mechanical devices operating in noisy environments lead to low signal-to-noise ratios creating a challenging signal processing problem to monitor the vibrational signature of the device in real-time. To detect/classify a particular type of device from noisy vibration data, it is necessary to identify signatures that make it unique. Resonant (modal) frequencies emitted offer a signature characterizing its operation. The monitoring of structural modes to determine the condition of a device under investigation is essential, especially if it is a critical entity of an operational system. The development of a model-based scheme capable of the on-line tracking of structural modal frequencies by applying both system identification methods to extract a modal model and state estimation methods to track their evolution is discussed along with the development of an on-line monitor capable of detecting anomalies in real-time. An application of this approach to an unknown structural device is discussed illustrating the approach and evaluating its performance.

  20. Habitat fragmentation and reproductive success: a structural equation modelling approach.

    Science.gov (United States)

    Le Tortorec, Eric; Helle, Samuli; Käyhkö, Niina; Suorsa, Petri; Huhta, Esa; Hakkarainen, Harri

    2013-09-01

    1. There is great interest on the effects of habitat fragmentation, whereby habitat is lost and the spatial configuration of remaining habitat patches is altered, on individual breeding performance. However, we still lack consensus of how this important process affects reproductive success, and whether its effects are mainly due to reduced fecundity or nestling survival. 2. The main reason for this may be the way that habitat fragmentation has been previously modelled. Studies have treated habitat loss and altered spatial configuration as two independent processes instead of as one hierarchical and interdependent process, and therefore have not been able to consider the relative direct and indirect effects of habitat loss and altered spatial configuration. 3. We investigated how habitat (i.e. old forest) fragmentation, caused by intense forest harvesting at the territory and landscape scales, is associated with the number of fledged offspring of an area-sensitive passerine, the Eurasian treecreeper (Certhia familiaris). We used structural equation modelling (SEM) to examine the complex hierarchical associations between habitat loss and altered spatial configuration on the number of fledged offspring, by controlling for individual condition and weather conditions during incubation. 4. Against generally held expectations, treecreeper reproductive success did not show a significant association with habitat fragmentation measured at the territory scale. Instead, our analyses suggested that an increasing amount of habitat at the landscape scale caused a significant increase in nest predation rates, leading to reduced reproductive success. This effect operated directly on nest predation rates, instead of acting indirectly through altered spatial configuration. 5. Because habitat amount and configuration are inherently strongly collinear, particularly when multiple scales are considered, our study demonstrates the usefulness of a SEM approach for hierarchical partitioning