The damper placement problem for large flexible space structures

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.

1992-01-01

The damper placement problem for large flexible space truss structures is formulated as a combinatorial optimization problem. The objective is to determine the p truss members of the structure to replace with active (or passive) dampers so that the modal damping ratio is as large as possible for all significant modes of vibration. Equivalently, given a strain energy matrix with rows indexed on the modes and the columns indexed on the truss members, we seek to find the set of p columns such that the smallest row sum, over the p columns, is maximized. We develop a tabu search heuristic for the damper placement problems on the Controls Structures Interaction (CSI) Phase 1 Evolutionary Model (10 modes and 1507 truss members). The resulting solutions are shown to be of high quality.

Structural qualia: a solution to the hard problem of consciousness.

PubMed

Loorits, Kristjan

2014-01-01

The hard problem of consciousness has been often claimed to be unsolvable by the methods of traditional empirical sciences. It has been argued that all the objects of empirical sciences can be fully analyzed in structural terms but that consciousness is (or has) something over and above its structure. However, modern neuroscience has introduced a theoretical framework in which also the apparently non-structural aspects of consciousness, namely the so called qualia or qualitative properties, can be analyzed in structural terms. That framework allows us to see qualia as something compositional with internal structures that fully determine their qualitative nature. Moreover, those internal structures can be identified which certain neural patterns. Thus consciousness as a whole can be seen as a complex neural pattern that misperceives some of its own highly complex structural properties as monadic and qualitative. Such neural pattern is analyzable in fully structural terms and thereby the hard problem is solved.

Structural qualia: a solution to the hard problem of consciousness

PubMed Central

Loorits, Kristjan

2014-01-01

The hard problem of consciousness has been often claimed to be unsolvable by the methods of traditional empirical sciences. It has been argued that all the objects of empirical sciences can be fully analyzed in structural terms but that consciousness is (or has) something over and above its structure. However, modern neuroscience has introduced a theoretical framework in which also the apparently non-structural aspects of consciousness, namely the so called qualia or qualitative properties, can be analyzed in structural terms. That framework allows us to see qualia as something compositional with internal structures that fully determine their qualitative nature. Moreover, those internal structures can be identified which certain neural patterns. Thus consciousness as a whole can be seen as a complex neural pattern that misperceives some of its own highly complex structural properties as monadic and qualitative. Such neural pattern is analyzable in fully structural terms and thereby the hard problem is solved. PMID:24672510

Problems Encountered during the Scientific Research Process in Graduate Education: The Institute of Educational Sciences

ERIC Educational Resources Information Center

Akyürek, Erkan; Afacan, Özlem

2018-01-01

This study was conducted to determine the problems faced by graduate students when conducting scientific research and to make suggestions for solving these problems. The research model was a case study. Semi-structured interviews were conducted with participants in the study with questions about the problems encountered during scientific research…

Diversity of Approaches to Problems by Students Enrolled in a Non-Calculus College Physics Course.

ERIC Educational Resources Information Center

Cohen, Anna Foner

This study was undertaken to determine whether hierarchically structured problem situations could be developed and used to identify where individual solutions to problems in elementary physics are interrupted and whether examination of student approaches to problem situations would be useful to physics teaching. A random sample of 26 students…

Numerical Leak Detection in a Pipeline Network of Complex Structure with Unsteady Flow

NASA Astrophysics Data System (ADS)

Aida-zade, K. R.; Ashrafova, E. R.

2017-12-01

An inverse problem for a pipeline network of complex loopback structure is solved numerically. The problem is to determine the locations and amounts of leaks from unsteady flow characteristics measured at some pipeline points. The features of the problem include impulse functions involved in a system of hyperbolic differential equations, the absence of classical initial conditions, and boundary conditions specified as nonseparated relations between the states at the endpoints of adjacent pipeline segments. The problem is reduced to a parametric optimal control problem without initial conditions, but with nonseparated boundary conditions. The latter problem is solved by applying first-order optimization methods. Results of numerical experiments are presented.

Computing approximate solutions of the protein structure determination problem using global constraints on discrete crystal lattices.

PubMed

Dal Palù, Alessandro; Dovier, Agostino; Pontelli, Enrico

2010-01-01

Crystal lattices are discrete models of the three-dimensional space that have been effectively employed to facilitate the task of determining proteins' natural conformation. This paper investigates alternative global constraints that can be introduced in a constraint solver over discrete crystal lattices. The objective is to enhance the efficiency of lattice solvers in dealing with the construction of approximate solutions of the protein structure determination problem. Some of them (e.g., self-avoiding-walk) have been explicitly or implicitly already used in previous approaches, while others (e.g., the density constraint) are new. The intrinsic complexities of all of them are studied and preliminary experimental results are discussed.

Determination of the temperature field of shell structures

NASA Astrophysics Data System (ADS)

Rodionov, N. G.

1986-10-01

A stationary heat conduction problem is formulated for the case of shell structures, such as those found in gas-turbine and jet engines. A two-dimensional elliptic differential equation of stationary heat conduction is obtained which allows, in an approximate manner, for temperature changes along a third variable, i.e., the shell thickness. The two-dimensional problem is reduced to a series of one-dimensional problems which are then solved using efficient difference schemes. The approach proposed here is illustrated by a specific example.

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination.

PubMed

Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

2013-11-01

The number of macromolecular structures deposited in the Protein Data Bank now approaches 100,000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardware and software tools have made crystallography appear to be an almost routine (but still far from being analytical) technique and many structures are now being determined by scientists with very limited experience in the practical aspects of the field. However, this apparent ease is sometimes illusory and proper procedures need to be followed to maintain high standards of structure quality. In addition, many noncrystallographers may have problems with the critical evaluation and interpretation of structural results published in the scientific literature. The present review provides an outline of the technical aspects of crystallography for less experienced practitioners, as well as information that might be useful for users of macromolecular structures, aiming to show them how to interpret (but not overinterpret) the information present in the coordinate files and in their description. A discussion of the extent of information that can be gleaned from the atomic coordinates of structures solved at different resolution is provided, as well as problems and pitfalls encountered in structure determination and interpretation. © 2013 FEBS.

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination

PubMed Central

Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

2014-01-01

The number of macromolecular structures deposited in the Protein Data Bank now approaches 100 000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardware and software tools have made crystallography appear to be an almost routine (but still far from being analytical) technique and many structures are now being determined by scientists with very limited experience in the practical aspects of the field. However, this apparent ease is sometimes illusory and proper procedures need to be followed to maintain high standards of structure quality. In addition, many noncrystallographers may have problems with the critical evaluation and interpretation of structural results published in the scientific literature. The present review provides an outline of the technical aspects of crystallography for less experienced practitioners, as well as information that might be useful for users of macromolecular structures, aiming to show them how to interpret (but not overinterpret) the information present in the coordinate files and in their description. A discussion of the extent of information that can be gleaned from the atomic coordinates of structures solved at different resolution is provided, as well as problems and pitfalls encountered in structure determination and interpretation. PMID:24034303

Combining Vision with Voice: A Learning and Implementation Structure Promoting Teachers' Internalization of Practices Based on Self-Determination Theory

ERIC Educational Resources Information Center

Assor, Avi; Kaplan, Haya; Feinberg, Ofra; Tal, Karen

2009-01-01

We propose that self-determination theory's conceptualization of internalization may help school reformers overcome the recurrent problem of "the predictable failure of educational reform" (Sarason, 1993). Accordingly, we present a detailed learning and implementation structure to promote teachers' internalization and application of ideas and…

Causal Indicator Models: Unresolved Issues of Construction and Evaluation

ERIC Educational Resources Information Center

West, Stephen G.; Grimm, Kevin J.

2014-01-01

These authors agree with Bainter and Bollen that causal effects represents a useful measurement structure in some applications. The structure of the science of the measurement problem should determine the model; the measurement model should not determine the science. They also applaud Bainter and Bollen's important reminder that the full…

Document boundary determination using structural and lexical analysis

NASA Astrophysics Data System (ADS)

Taghva, Kazem; Cartright, Marc-Allen

2009-01-01

The document boundary determination problem is the process of identifying individual documents in a stack of papers. In this paper, we report on a classification system for automation of this process. The system employs features based on document structure and lexical content. We also report on experimental results to support the effectiveness of this system.

Direct and inverse problems of studying the properties of multilayer nanostructures based on a two-dimensional model of X-ray reflection and scattering

NASA Astrophysics Data System (ADS)

Khachaturov, R. V.

2014-06-01

A mathematical model of X-ray reflection and scattering by multilayered nanostructures in the quasi-optical approximation is proposed. X-ray propagation and the electric field distribution inside the multilayered structure are considered with allowance for refraction, which is taken into account via the second derivative with respect to the depth of the structure. This model is used to demonstrate the possibility of solving inverse problems in order to determine the characteristics of irregularities not only over the depth (as in the one-dimensional problem) but also over the length of the structure. An approximate combinatorial method for system decomposition and composition is proposed for solving the inverse problems.

Natural Language Sourcebook

DTIC Science & Technology

1990-01-01

Identification of Syntactic Units Exemplar I.A. (#l) Problem (1) The tough coach the young. (2) The tough coach married a star. (3) The tough coach married ...34the tough" vs. "the tough coach" and (b) "people" vs. " married people." The problem could also be considered a problem of determining lexical...and " married " in example (2). Once the parser specifies a verb, the structure of the rest of the sentence is determined: specifying "coach" as a

Unifying Temporal and Structural Credit Assignment Problems

NASA Technical Reports Server (NTRS)

Agogino, Adrian K.; Tumer, Kagan

2004-01-01

Single-agent reinforcement learners in time-extended domains and multi-agent systems share a common dilemma known as the credit assignment problem. Multi-agent systems have the structural credit assignment problem of determining the contributions of a particular agent to a common task. Instead, time-extended single-agent systems have the temporal credit assignment problem of determining the contribution of a particular action to the quality of the full sequence of actions. Traditionally these two problems are considered different and are handled in separate ways. In this article we show how these two forms of the credit assignment problem are equivalent. In this unified frame-work, a single-agent Markov decision process can be broken down into a single-time-step multi-agent process. Furthermore we show that Monte-Carlo estimation or Q-learning (depending on whether the values of resulting actions in the episode are known at the time of learning) are equivalent to different agent utility functions in a multi-agent system. This equivalence shows how an often neglected issue in multi-agent systems is equivalent to a well-known deficiency in multi-time-step learning and lays the basis for solving time-extended multi-agent problems, where both credit assignment problems are present.

Special discontinuities in nonlinearly elastic media

NASA Astrophysics Data System (ADS)

Chugainova, A. P.

2017-06-01

Solutions of a nonlinear hyperbolic system of equations describing weakly nonlinear quasitransverse waves in a weakly anisotropic elastic medium are studied. The influence of small-scale processes of dissipation and dispersion is investigated. The small-scale processes determine the structure of discontinuities (shocks) and a set of discontinuities with a stationary structure. Among the discontinuities with a stationary structure, there are special ones that, in addition to relations following from conservation laws, satisfy additional relations required for the existence of their structure. In the phase plane, the structure of such discontinuities is represented by an integral curve joining two saddles. Special discontinuities lead to nonunique self-similar solutions of the Riemann problem. Asymptotics of non-self-similar problems for equations with dissipation and dispersion are found numerically. These asymptotics correspond to self-similar solutions of the problems.

Non-Mathematical Problem Solving in Organic Chemistry

ERIC Educational Resources Information Center

Cartrette, David P.; Bodner, George M.

2010-01-01

Differences in problem-solving ability among organic chemistry graduate students and faculty were studied within the domain of problems that involved the determination of the structure of a molecule from the molecular formula of the compound and a combination of IR and [to the first power]H NMR spectra. The participants' performance on these tasks…

Strength conditions for the elastic structures with a stress error

NASA Astrophysics Data System (ADS)

Matveev, A. D.

2017-10-01

As is known, the constraints (strength conditions) for the safety factor of elastic structures and design details of a particular class, e.g. aviation structures are established, i.e. the safety factor values of such structures should be within the given range. It should be noted that the constraints are set for the safety factors corresponding to analytical (exact) solutions of elasticity problems represented for the structures. Developing the analytical solutions for most structures, especially irregular shape ones, is associated with great difficulties. Approximate approaches to solve the elasticity problems, e.g. the technical theories of deformation of homogeneous and composite plates, beams and shells, are widely used for a great number of structures. Technical theories based on the hypotheses give rise to approximate (technical) solutions with an irreducible error, with the exact value being difficult to be determined. In static calculations of the structural strength with a specified small range for the safety factors application of technical (by the Theory of Strength of Materials) solutions is difficult. However, there are some numerical methods for developing the approximate solutions of elasticity problems with arbitrarily small errors. In present paper, the adjusted reference (specified) strength conditions for the structural safety factor corresponding to approximate solution of the elasticity problem have been proposed. The stress error estimation is taken into account using the proposed strength conditions. It has been shown that, to fulfill the specified strength conditions for the safety factor of the given structure corresponding to an exact solution, the adjusted strength conditions for the structural safety factor corresponding to an approximate solution are required. The stress error estimation which is the basis for developing the adjusted strength conditions has been determined for the specified strength conditions. The adjusted strength conditions presented by allowable stresses are suggested. Adjusted strength conditions make it possible to determine the set of approximate solutions, whereby meeting the specified strength conditions. Some examples of the specified strength conditions to be satisfied using the technical (by the Theory of Strength of Materials) solutions and strength conditions have been given, as well as the examples of stress conditions to be satisfied using approximate solutions with a small error.

On numerical reconstructions of lithographic masks in DUV scatterometry

NASA Astrophysics Data System (ADS)

Henn, M.-A.; Model, R.; Bär, M.; Wurm, M.; Bodermann, B.; Rathsfeld, A.; Gross, H.

2009-06-01

The solution of the inverse problem in scatterometry employing deep ultraviolet light (DUV) is discussed, i.e. we consider the determination of periodic surface structures from light diffraction patterns. With decreasing dimensions of the structures on photo lithography masks and wafers, increasing demands on the required metrology techniques arise. Scatterometry as a non-imaging indirect optical method is applied to periodic line structures in order to determine the sidewall angles, heights, and critical dimensions (CD), i.e., the top and bottom widths. The latter quantities are typically in the range of tens of nanometers. All these angles, heights, and CDs are the fundamental figures in order to evaluate the quality of the manufacturing process. To measure those quantities a DUV scatterometer is used, which typically operates at a wavelength of 193 nm. The diffraction of light by periodic 2D structures can be simulated using the finite element method for the Helmholtz equation. The corresponding inverse problem seeks to reconstruct the grating geometry from measured diffraction patterns. Fixing the class of gratings and the set of measurements, this inverse problem reduces to a finite dimensional nonlinear operator equation. Reformulating the problem as an optimization problem, a vast number of numerical schemes can be applied. Our tool is a sequential quadratic programing (SQP) variant of the Gauss-Newton iteration. In a first step, in which we use a simulated data set, we investigate how accurate the geometrical parameters of an EUV mask can be reconstructed, using light in the DUV range. We then determine the expected uncertainties of geometric parameters by reconstructing from simulated input data perturbed by noise representing the estimated uncertainties of input data. In the last step, we use the measurement data obtained from the new DUV scatterometer at PTB to determine the geometrical parameters of a typical EUV mask with our reconstruction algorithm. The results are compared to the outcome of investigations with two alternative methods namely EUV scatterometry and SEM measurements.

An approach to functionally relevant clustering of the protein universe: Active site profile-based clustering of protein structures and sequences.

PubMed

Knutson, Stacy T; Westwood, Brian M; Leuthaeuser, Janelle B; Turner, Brandon E; Nguyendac, Don; Shea, Gabrielle; Kumar, Kiran; Hayden, Julia D; Harper, Angela F; Brown, Shoshana D; Morris, John H; Ferrin, Thomas E; Babbitt, Patricia C; Fetrow, Jacquelyn S

2017-04-01

Protein function identification remains a significant problem. Solving this problem at the molecular functional level would allow mechanistic determinant identification-amino acids that distinguish details between functional families within a superfamily. Active site profiling was developed to identify mechanistic determinants. DASP and DASP2 were developed as tools to search sequence databases using active site profiling. Here, TuLIP (Two-Level Iterative clustering Process) is introduced as an iterative, divisive clustering process that utilizes active site profiling to separate structurally characterized superfamily members into functionally relevant clusters. Underlying TuLIP is the observation that functionally relevant families (curated by Structure-Function Linkage Database, SFLD) self-identify in DASP2 searches; clusters containing multiple functional families do not. Each TuLIP iteration produces candidate clusters, each evaluated to determine if it self-identifies using DASP2. If so, it is deemed a functionally relevant group. Divisive clustering continues until each structure is either a functionally relevant group member or a singlet. TuLIP is validated on enolase and glutathione transferase structures, superfamilies well-curated by SFLD. Correlation is strong; small numbers of structures prevent statistically significant analysis. TuLIP-identified enolase clusters are used in DASP2 GenBank searches to identify sequences sharing functional site features. Analysis shows a true positive rate of 96%, false negative rate of 4%, and maximum false positive rate of 4%. F-measure and performance analysis on the enolase search results and comparison to GEMMA and SCI-PHY demonstrate that TuLIP avoids the over-division problem of these methods. Mechanistic determinants for enolase families are evaluated and shown to correlate well with literature results. © 2017 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

Fingerprint-Based Structure Retrieval Using Electron Density

PubMed Central

Yin, Shuangye; Dokholyan, Nikolay V.

2010-01-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. PMID:21287628

Fingerprint-based structure retrieval using electron density.

PubMed

Yin, Shuangye; Dokholyan, Nikolay V

2011-03-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

Automation of NMR structure determination of proteins.

PubMed

Altieri, Amanda S; Byrd, R Andrew

2004-10-01

The automation of protein structure determination using NMR is coming of age. The tedious processes of resonance assignment, followed by assignment of NOE (nuclear Overhauser enhancement) interactions (now intertwined with structure calculation), assembly of input files for structure calculation, intermediate analyses of incorrect assignments and bad input data, and finally structure validation are all being automated with sophisticated software tools. The robustness of the different approaches continues to deal with problems of completeness and uniqueness; nevertheless, the future is very bright for automation of NMR structure generation to approach the levels found in X-ray crystallography. Currently, near completely automated structure determination is possible for small proteins, and the prospect for medium-sized and large proteins is good. Copyright 2004 Elsevier Ltd.

Analysis of factors affecting satisfaction level on problem based learning approach using structural equation modeling

NASA Astrophysics Data System (ADS)

Hussain, Nur Farahin Mee; Zahid, Zalina

2014-12-01

Nowadays, in the job market demand, graduates are expected not only to have higher performance in academic but they must also be excellent in soft skill. Problem-Based Learning (PBL) has a number of distinct advantages as a learning method as it can deliver graduates that will be highly prized by industry. This study attempts to determine the satisfaction level of engineering students on the PBL Approach and to evaluate their determinant factors. The Structural Equation Modeling (SEM) was used to investigate how the factors of Good Teaching Scale, Clear Goals, Student Assessment and Levels of Workload affected the student satisfaction towards PBL approach.

Protein crystallography for non-crystallographers, or how to get the best (but not more) from published macromolecular structures

PubMed Central

Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

2015-01-01

The number of macromolecular structures deposited in the Protein Data Bank now exceeds 45 000, with the vast majority determined using crystallographic methods. Thousands of studies describing such structures have been published in the scientific literature, and 14 Nobel prizes in chemistry or medicine have been awarded to protein crystallographers. As important as these structures are for understanding the processes that take place in living organisms and also for practical applications such as drug design, many non-crystallographers still have problems with critical evaluation of the structural literature data. This review attempts to provide a brief outline of technical aspects of crystallography and to explain the meaning of some parameters that should be evaluated by users of macromolecular structures in order to interpret, but not over-interpret, the information present in the coordinate files and in their description. A discussion of the extent of the information that can be gleaned from the coordinates of structures solved at different resolution, as well as problems and pitfalls encountered in structure determination and interpretation are also covered. PMID:18034855

Precision of Sensitivity in the Design Optimization of Indeterminate Structures

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Pai, Shantaram S.; Hopkins, Dale A.

2006-01-01

Design sensitivity is central to most optimization methods. The analytical sensitivity expression for an indeterminate structural design optimization problem can be factored into a simple determinate term and a complicated indeterminate component. Sensitivity can be approximated by retaining only the determinate term and setting the indeterminate factor to zero. The optimum solution is reached with the approximate sensitivity. The central processing unit (CPU) time to solution is substantially reduced. The benefit that accrues from using the approximate sensitivity is quantified by solving a set of problems in a controlled environment. Each problem is solved twice: first using the closed-form sensitivity expression, then using the approximation. The problem solutions use the CometBoards testbed as the optimization tool with the integrated force method as the analyzer. The modification that may be required, to use the stiffener method as the analysis tool in optimization, is discussed. The design optimization problem of an indeterminate structure contains many dependent constraints because of the implicit relationship between stresses, as well as the relationship between the stresses and displacements. The design optimization process can become problematic because the implicit relationship reduces the rank of the sensitivity matrix. The proposed approximation restores the full rank and enhances the robustness of the design optimization method.

Physical insight into the simultaneous optimization of structure and control

NASA Technical Reports Server (NTRS)

Jacques, Robert N.; Miller, David W.

1993-01-01

Recent trends in spacecraft design which yield larger structures with more stringent performance requirements place many flexible modes of the structure within the bandwidth of active controllers. The resulting complications to the spacecraft design make it highly desirable to understand the impact of structural changes on an optimally controlled structure. This work uses low structural models with optimal H(sub 2) and H(sub infinity) controllers to develop some basic insight into this problem. This insight concentrates on several basic approaches to improving controlled performance and how these approaches interact in determining the optimal designs. A numerical example is presented to demonstrate how this insight can be generalized to more complex problems.

Sexual attitudes, preferences and infections in Ancient Greece: has antiquity anything useful for us today?

PubMed Central

Morton, R S

1991-01-01

Modern society bears a heavy burden of medico-social pathology particularly amongst its young. The size, nature and costs of the sexually transmitted disease element is now considerable and dwarfs such successes as have been achieved. In the belief that the structure of a society and the way that structure functions determines the size of its STD problem, a review of Ancient Greek society has been undertaken. Greek society, not least concerning all aspects of sex, was well ordered, frank and tolerant. Some of the areas of Greek society's structure and functioning which differ most markedly from ours, and seem to have determined a modest STD problem, are highlighted and discussed. Greek ideas that might be adapted to match today's needs are presented for consideration. PMID:1916781

Reliable use of determinants to solve nonlinear structural eigenvalue problems efficiently

NASA Technical Reports Server (NTRS)

Williams, F. W.; Kennedy, D.

1988-01-01

The analytical derivation, numerical implementation, and performance of a multiple-determinant parabolic interpolation method (MDPIM) for use in solving transcendental eigenvalue (critical buckling or undamped free vibration) problems in structural mechanics are presented. The overall bounding, eigenvalue-separation, qualified parabolic interpolation, accuracy-confirmation, and convergence-recovery stages of the MDPIM are described in detail, and the numbers of iterations required to solve sample plane-frame problems using the MDPIM are compared with those for a conventional bisection method and for the Newtonian method of Simpson (1984) in extensive tables. The MDPIM is shown to use 31 percent less computation time than bisection when accuracy of 0.0001 is required, but 62 percent less when accuracy of 10 to the -8th is required; the time savings over the Newtonian method are about 10 percent.

Topology synthesis and size optimization of morphing wing structures

NASA Astrophysics Data System (ADS)

Inoyama, Daisaku

This research demonstrates a novel topology and size optimization methodology for synthesis of distributed actuation systems with specific applications to morphing air vehicle structures. The main emphasis is placed on the topology and size optimization problem formulations and the development of computational modeling concepts. The analysis model is developed to meet several important criteria: It must allow a rigid-body displacement, as well as a variation in planform area, with minimum strain on structural members while retaining acceptable numerical stability for finite element analysis. Topology optimization is performed on a semi-ground structure with design variables that control the system configuration. In effect, the optimization process assigns morphing members as "soft" elements, non-morphing load-bearing members as "stiff' elements, and non-existent members as "voids." The optimization process also determines the optimum actuator placement, where each actuator is represented computationally by equal and opposite nodal forces with soft axial stiffness. In addition, the configuration of attachments that connect the morphing structure to a non-morphing structure is determined simultaneously. Several different optimization problem formulations are investigated to understand their potential benefits in solution quality, as well as meaningfulness of the formulations. Extensions and enhancements to the initial concept and problem formulations are made to accommodate multiple-configuration definitions. In addition, the principal issues on the external-load dependency and the reversibility of a design, as well as the appropriate selection of a reference configuration, are addressed in the research. The methodology to control actuator distributions and concentrations is also discussed. Finally, the strategy to transfer the topology solution to the sizing optimization is developed and cross-sectional areas of existent structural members are optimized under applied aerodynamic loads. That is, the optimization process is implemented in sequential order: The actuation system layout is first determined through multi-disciplinary topology optimization process, and then the thickness or cross-sectional area of each existent member is optimized under given constraints and boundary conditions. Sample problems are solved to demonstrate the potential capabilities of the presented methodology. The research demonstrates an innovative structural design procedure from a computational perspective and opens new insights into the potential design requirements and characteristics of morphing structures.

Cell-free protein synthesis for structure determination by X-ray crystallography.

PubMed

Watanabe, Miki; Miyazono, Ken-ichi; Tanokura, Masaru; Sawasaki, Tatsuya; Endo, Yaeta; Kobayashi, Ichizo

2010-01-01

Structure determination has been difficult for those proteins that are toxic to the cells and cannot be prepared in a large amount in vivo. These proteins, even when biologically very interesting, tend to be left uncharacterized in the structural genomics projects. Their cell-free synthesis can bypass the toxicity problem. Among the various cell-free systems, the wheat-germ-based system is of special interest due to the following points: (1) Because the gene is placed under a plant translational signal, its toxic expression in a bacterial host is reduced. (2) It has only little codon preference and, especially, little discrimination between methionine and selenomethionine (SeMet), which allows easy preparation of selenomethionylated proteins for crystal structure determination by SAD and MAD methods. (3) Translation is uncoupled from transcription, so that the toxicity of the translation product on DNA and its transcription, if any, can be bypassed. We have shown that the wheat-germ-based cell-free protein synthesis is useful for X-ray crystallography of one of the 4-bp cutter restriction enzymes, which are expected to be very toxic to all forms of cells retaining the genome. Our report on its structure represents the first report of structure determination by X-ray crystallography using protein overexpressed with the wheat-germ-based cell-free protein expression system. This will be a method of choice for cytotoxic proteins when its cost is not a problem. Its use will become popular when the crystal structure determination technology has evolved to require only a tiny amount of protein.

Global search in photoelectron diffraction structure determination using genetic algorithms

NASA Astrophysics Data System (ADS)

Viana, M. L.; Díez Muiño, R.; Soares, E. A.; Van Hove, M. A.; de Carvalho, V. E.

2007-11-01

Photoelectron diffraction (PED) is an experimental technique widely used to perform structural determinations of solid surfaces. Similarly to low-energy electron diffraction (LEED), structural determination by PED requires a fitting procedure between the experimental intensities and theoretical results obtained through simulations. Multiple scattering has been shown to be an effective approach for making such simulations. The quality of the fit can be quantified through the so-called R-factor. Therefore, the fitting procedure is, indeed, an R-factor minimization problem. However, the topography of the R-factor as a function of the structural and non-structural surface parameters to be determined is complex, and the task of finding the global minimum becomes tough, particularly for complex structures in which many parameters have to be adjusted. In this work we investigate the applicability of the genetic algorithm (GA) global optimization method to this problem. The GA is based on the evolution of species, and makes use of concepts such as crossover, elitism and mutation to perform the search. We show results of its application in the structural determination of three different systems: the Cu(111) surface through the use of energy-scanned experimental curves; the Ag(110)-c(2 × 2)-Sb system, in which a theory-theory fit was performed; and the Ag(111) surface for which angle-scanned experimental curves were used. We conclude that the GA is a highly efficient method to search for global minima in the optimization of the parameters that best fit the experimental photoelectron diffraction intensities to the theoretical ones.

A model for distribution centers location-routing problem on a multimodal transportation network with a meta-heuristic solving approach

NASA Astrophysics Data System (ADS)

Fazayeli, Saeed; Eydi, Alireza; Kamalabadi, Isa Nakhai

2017-07-01

Nowadays, organizations have to compete with different competitors in regional, national and international levels, so they have to improve their competition capabilities to survive against competitors. Undertaking activities on a global scale requires a proper distribution system which could take advantages of different transportation modes. Accordingly, the present paper addresses a location-routing problem on multimodal transportation network. The introduced problem follows four objectives simultaneously which form main contribution of the paper; determining multimodal routes between supplier and distribution centers, locating mode changing facilities, locating distribution centers, and determining product delivery tours from the distribution centers to retailers. An integer linear programming is presented for the problem, and a genetic algorithm with a new chromosome structure proposed to solve the problem. Proposed chromosome structure consists of two different parts for multimodal transportation and location-routing parts of the model. Based on published data in the literature, two numerical cases with different sizes generated and solved. Also, different cost scenarios designed to better analyze model and algorithm performance. Results show that algorithm can effectively solve large-size problems within a reasonable time which GAMS software failed to reach an optimal solution even within much longer times.

A model for distribution centers location-routing problem on a multimodal transportation network with a meta-heuristic solving approach

NASA Astrophysics Data System (ADS)

Fazayeli, Saeed; Eydi, Alireza; Kamalabadi, Isa Nakhai

2018-07-01

Nowadays, organizations have to compete with different competitors in regional, national and international levels, so they have to improve their competition capabilities to survive against competitors. Undertaking activities on a global scale requires a proper distribution system which could take advantages of different transportation modes. Accordingly, the present paper addresses a location-routing problem on multimodal transportation network. The introduced problem follows four objectives simultaneously which form main contribution of the paper; determining multimodal routes between supplier and distribution centers, locating mode changing facilities, locating distribution centers, and determining product delivery tours from the distribution centers to retailers. An integer linear programming is presented for the problem, and a genetic algorithm with a new chromosome structure proposed to solve the problem. Proposed chromosome structure consists of two different parts for multimodal transportation and location-routing parts of the model. Based on published data in the literature, two numerical cases with different sizes generated and solved. Also, different cost scenarios designed to better analyze model and algorithm performance. Results show that algorithm can effectively solve large-size problems within a reasonable time which GAMS software failed to reach an optimal solution even within much longer times.

An approach to functionally relevant clustering of the protein universe: Active site profile‐based clustering of protein structures and sequences

PubMed Central

Knutson, Stacy T.; Westwood, Brian M.; Leuthaeuser, Janelle B.; Turner, Brandon E.; Nguyendac, Don; Shea, Gabrielle; Kumar, Kiran; Hayden, Julia D.; Harper, Angela F.; Brown, Shoshana D.; Morris, John H.; Ferrin, Thomas E.; Babbitt, Patricia C.

2017-01-01

Abstract Protein function identification remains a significant problem. Solving this problem at the molecular functional level would allow mechanistic determinant identification—amino acids that distinguish details between functional families within a superfamily. Active site profiling was developed to identify mechanistic determinants. DASP and DASP2 were developed as tools to search sequence databases using active site profiling. Here, TuLIP (Two‐Level Iterative clustering Process) is introduced as an iterative, divisive clustering process that utilizes active site profiling to separate structurally characterized superfamily members into functionally relevant clusters. Underlying TuLIP is the observation that functionally relevant families (curated by Structure‐Function Linkage Database, SFLD) self‐identify in DASP2 searches; clusters containing multiple functional families do not. Each TuLIP iteration produces candidate clusters, each evaluated to determine if it self‐identifies using DASP2. If so, it is deemed a functionally relevant group. Divisive clustering continues until each structure is either a functionally relevant group member or a singlet. TuLIP is validated on enolase and glutathione transferase structures, superfamilies well‐curated by SFLD. Correlation is strong; small numbers of structures prevent statistically significant analysis. TuLIP‐identified enolase clusters are used in DASP2 GenBank searches to identify sequences sharing functional site features. Analysis shows a true positive rate of 96%, false negative rate of 4%, and maximum false positive rate of 4%. F‐measure and performance analysis on the enolase search results and comparison to GEMMA and SCI‐PHY demonstrate that TuLIP avoids the over‐division problem of these methods. Mechanistic determinants for enolase families are evaluated and shown to correlate well with literature results. PMID:28054422

24 CFR 886.107 - Approval of applications.

Code of Federal Regulations, 2011 CFR

2011-04-01

... turnover, and provides a reasonable assurance of long-term project viability. A determination of long-term viability shall be based upon the following considerations: (1) The project is not subject to any serious problems that are non-economic in nature. Examples of such problems are poor location, structural...

24 CFR 886.107 - Approval of applications.

Code of Federal Regulations, 2013 CFR

2013-04-01

... turnover, and provides a reasonable assurance of long-term project viability. A determination of long-term viability shall be based upon the following considerations: (1) The project is not subject to any serious problems that are non-economic in nature. Examples of such problems are poor location, structural...

24 CFR 886.107 - Approval of applications.

Code of Federal Regulations, 2012 CFR

2012-04-01

... turnover, and provides a reasonable assurance of long-term project viability. A determination of long-term viability shall be based upon the following considerations: (1) The project is not subject to any serious problems that are non-economic in nature. Examples of such problems are poor location, structural...

24 CFR 886.107 - Approval of applications.

Code of Federal Regulations, 2010 CFR

2010-04-01

... turnover, and provides a reasonable assurance of long-term project viability. A determination of long-term viability shall be based upon the following considerations: (1) The project is not subject to any serious problems that are non-economic in nature. Examples of such problems are poor location, structural...

24 CFR 886.107 - Approval of applications.

Code of Federal Regulations, 2014 CFR

2014-04-01

... turnover, and provides a reasonable assurance of long-term project viability. A determination of long-term viability shall be based upon the following considerations: (1) The project is not subject to any serious problems that are non-economic in nature. Examples of such problems are poor location, structural...

The relation of locus-of-control orientation and task structure to problem-solving performance of sixth-grade student pairs

NASA Astrophysics Data System (ADS)

Main, June Dewey; Budd Rowe, Mary

This study investigated the relationship of locus-of-control orientations and task structure to the science problem-solving performance of 100 same-sex, sixth-grade student pairs. Pairs performed a four-variable problem-solving task, racing cylinders down a ramp in a series of trials to determine the 3 fastest of 18 different cylinders. The task was completed in one of two treatment conditions: the structured condition with moderate cuing and the unstructured condition with minimal cuing. Pairs completed an after-task assessment, predicting the results of proposed cylinder races, to measure the ability to understand and apply task concepts. Overall conclusions were: (1) There was no relationship between locus-of-control orientation and effectiveness of problem-solving strategy; (2) internality was significantly related to higher accuracy on task solutions and on after-task predictions; (3) there was no significant relationship between task structure and effectiveness of problem-solving strategy; (4) solutions to the task were more accurate in the unstructured task condition; (5) internality related to more accurate solutions in the unstructured task condition.

Structure of the screening layer near a plane isolated body in the deep vacuum. Part 2. Monoenergetic isotropic flow

NASA Astrophysics Data System (ADS)

Gunko, Yuri F.; Gunko, Natalia A.

2018-05-01

In this paper we consider the problem of determining the structure of the electric field near the surface of a flat insulated body under conditions of a deep vacuum. It is assumed that the emitted particles are electrons leaving the body surface under the influence of ionizing radiation whose velocities distribution near the surface is isotropic. It is estimated the thickness of the screening layer under conditions of stationary emission from a flat surface. The solutio of the problem of determining a stationary self-consistent electric field near the surface is found in a simple analytical form. The thickness of the screening layer is calculated from this formula.

Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters

NASA Astrophysics Data System (ADS)

Arias, E.; Florez, E.; Pérez-Torres, J. F.

2017-06-01

A new algorithm for the determination of equilibrium structures suitable for metal nanoclusters is proposed. The algorithm performs a stochastic search of the minima associated with the nuclear potential energy function restricted to a sphere (similar to the Thomson problem), in order to guess configurations of the nuclear positions. Subsequently, the guessed configurations are further optimized driven by the total energy function using the conventional gradient descent method. This methodology is equivalent to using the valence shell electron pair repulsion model in guessing initial configurations in the traditional molecular quantum chemistry. The framework is illustrated in several clusters of increasing complexity: Cu7, Cu9, and Cu11 as benchmark systems, and Cu38 and Ni9 as novel systems. New equilibrium structures for Cu9, Cu11, Cu38, and Ni9 are reported.

Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters.

PubMed

Arias, E; Florez, E; Pérez-Torres, J F

2017-06-28

A new algorithm for the determination of equilibrium structures suitable for metal nanoclusters is proposed. The algorithm performs a stochastic search of the minima associated with the nuclear potential energy function restricted to a sphere (similar to the Thomson problem), in order to guess configurations of the nuclear positions. Subsequently, the guessed configurations are further optimized driven by the total energy function using the conventional gradient descent method. This methodology is equivalent to using the valence shell electron pair repulsion model in guessing initial configurations in the traditional molecular quantum chemistry. The framework is illustrated in several clusters of increasing complexity: Cu 7 , Cu 9 , and Cu 11 as benchmark systems, and Cu 38 and Ni 9 as novel systems. New equilibrium structures for Cu 9 , Cu 11 , Cu 38 , and Ni 9 are reported.

Comparison and Enumeration of Chemical Graphs

PubMed Central

Akutsu, Tatsuya; Nagamochi, Hiroshi

2013-01-01

Chemical compounds are usually represented as graph structured data in computers. In this review article, we overview several graph classes relevant to chemical compounds and the computational complexities of several fundamental problems for these graph classes. In particular, we consider the following problems: determining whether two chemical graphs are identical, determining whether one input chemical graph is a part of the other input chemical graph, finding a maximum common part of two input graphs, finding a reaction atom mapping, enumerating possible chemical graphs, and enumerating stereoisomers. We also discuss the relationship between the fifth problem and kernel functions for chemical compounds. PMID:24688697

Probabilistic finite elements for fatigue and fracture analysis

NASA Astrophysics Data System (ADS)

Belytschko, Ted; Liu, Wing Kam

Attenuation is focused on the development of Probabilistic Finite Element Method (PFEM), which combines the finite element method with statistics and reliability methods, and its application to linear, nonlinear structural mechanics problems and fracture mechanics problems. The computational tool based on the Stochastic Boundary Element Method is also given for the reliability analysis of a curvilinear fatigue crack growth. The existing PFEM's have been applied to solve for two types of problems: (1) determination of the response uncertainty in terms of the means, variance and correlation coefficients; and (2) determination the probability of failure associated with prescribed limit states.

Probabilistic finite elements for fatigue and fracture analysis

NASA Technical Reports Server (NTRS)

Belytschko, Ted; Liu, Wing Kam

1992-01-01

Attenuation is focused on the development of Probabilistic Finite Element Method (PFEM), which combines the finite element method with statistics and reliability methods, and its application to linear, nonlinear structural mechanics problems and fracture mechanics problems. The computational tool based on the Stochastic Boundary Element Method is also given for the reliability analysis of a curvilinear fatigue crack growth. The existing PFEM's have been applied to solve for two types of problems: (1) determination of the response uncertainty in terms of the means, variance and correlation coefficients; and (2) determination the probability of failure associated with prescribed limit states.

Vibration control in statically indeterminate adaptive truss structures

NASA Technical Reports Server (NTRS)

Baycan, C. M.; Utku, Senol; Wada, Ben K.

1993-01-01

In this work vibration control of statically indeterminate adaptive truss structures is investigated. Here, the actuators (i.e., length adjusting devices) that are used for vibration control, work against the axial forces caused by the inertial forces. In statically determinate adaptive trusses no axial force is induced by the actuation. The control problem in statically indeterminate trusses may be dominated by the actuation-induced axial element forces. The creation of actuation-induced axial forces puts the system to a higher energy state, thus aggravates the controls. It is shown that by the usage of sufficient number of slave actuators in addition to the actual control actuators, the actuation-induced axial element forces can be nullified, and the control problem of the statically indeterminate adaptive truss problem is reduced to that of a statically determinate one. It is also shown that the usage of slave actuators saves a great amount of control energy and provides robustness for the controls.

Teacher Expertise and the Development of a Problem Representation

ERIC Educational Resources Information Center

Hogan, Tracy; Rabinowitz, Mitchell

2009-01-01

This study examined ways in which expert and novice teachers mentally represent classroom problems in matters of instruction, assessment, and curriculum planning. A triad judgement task was administered to expert teachers (n=20) and novice teachers (n=98) to determine whether deep, structural features (i.e. the theoretical underpinnings associated…

The Relationship of Drawing and Mathematical Problem Solving: "Draw for Math" Tasks

ERIC Educational Resources Information Center

Edens, Kellah; Potter, Ellen

2007-01-01

This study examines a series of children's drawings ("Draw for Math" tasks) to determine the relationship of students' spatial understanding and mathematical problem solving. Level of spatial understanding was assessed by applying the framework of central conceptual structures suggested by Case (1996), a cognitive developmental researcher.…

Structural language, pragmatic communication, behavior, and social competence in children adopted internationally: A pilot study.

PubMed

Petranovich, Christine L; Walz, Nicolay Chertkoff; Staat, Mary Allen; Chiu, Chung-Yiu Peter; Wade, Shari L

2017-01-01

The objectives of this study were to examine the association of structural language and pragmatic communication with behavior problems and social competence in girls adopted internationally. Participants included girls between 6-12 years of age who were internationally adopted from China (n = 32) and Eastern-Europe (n = 25) and a control group of never-adopted girls (n = 25). Children completed the Wechsler Abbreviated Scale of Intelligence. Parents completed the Child Communication Checklist- second edition, the Child Behavior Checklist, and the Home and Community Social Behavior Scales. Compared to the controls, parents in the Eastern European group reported more problems with social competence, externalizing behaviors, structural language, and pragmatic communication. The Chinese group evidenced more internalizing problems. Using generalized linear regression, interaction terms were examined to determine if the associations of pragmatic communication and structural language with behavior problems and social competence varied across groups. Controlling for general intellectual functioning, poorer pragmatic communication was associated with more externalizing problems and poorer social competence. In the Chinese group, poorer pragmatic communication was associated with more internalizing problems. Post-adoption weaknesses in pragmatic communication are associated with behavior problems and social competence. Internationally adopted children may benefit from interventions that target pragmatic communication.

Automated MAD and MIR structure solution

PubMed Central

Terwilliger, Thomas C.; Berendzen, Joel

1999-01-01

Obtaining an electron-density map from X-ray diffraction data can be difficult and time-consuming even after the data have been collected, largely because MIR and MAD structure determinations currently require many subjective evaluations of the qualities of trial heavy-atom partial structures before a correct heavy-atom solution is obtained. A set of criteria for evaluating the quality of heavy-atom partial solutions in macromolecular crystallography have been developed. These have allowed the conversion of the crystal structure-solution process into an optimization problem and have allowed its automation. The SOLVE software has been used to solve MAD data sets with as many as 52 selenium sites in the asymmetric unit. The automated structure-solution process developed is a major step towards the fully automated structure-determination, model-building and refinement procedure which is needed for genomic scale structure determinations. PMID:10089316

Sex differences in the interacting roles of impulsivity and positive alcohol expectancy in problem drinking: A structural brain imaging study.

PubMed

Ide, Jaime S; Zhornitsky, Simon; Hu, Sien; Zhang, Sheng; Krystal, John H; Li, Chiang-Shan R

2017-01-01

Alcohol expectancy and impulsivity are implicated in alcohol misuse. However, how these two risk factors interact to determine problem drinking and whether men and women differ in these risk processes remain unclear. In 158 social drinkers (86 women) assessed for Alcohol Use Disorder Identification Test (AUDIT), positive alcohol expectancy, and Barratt impulsivity, we examined sex differences in these risk processes. Further, with structural brain imaging, we examined the neural bases underlying the relationship between these risk factors and problem drinking. The results of general linear modeling showed that alcohol expectancy best predicted problem drinking in women, whereas in men as well as in the combined group alcohol expectancy and impulsivity interacted to best predict problem drinking. Alcohol expectancy was associated with decreased gray matter volume (GMV) of the right posterior insula in women and the interaction of alcohol expectancy and impulsivity was associated with decreased GMV of the left thalamus in women and men combined and in men alone, albeit less significantly. These risk factors mediated the correlation between GMV and problem drinking. Conversely, models where GMV resulted from problem drinking were not supported. These new findings reveal distinct psychological factors that dispose men and women to problem drinking. Although mediation analyses did not determine a causal link, GMV reduction in the insula and thalamus may represent neural phenotype of these risk processes rather than the consequence of alcohol consumption in non-dependent social drinkers. The results add to the alcohol imaging literature which has largely focused on dependent individuals and help elucidate alterations in brain structures that may contribute to the transition from social to habitual drinking.

Workshop on Measurement Needs for Local-Structure Determination in Inorganic Materials

PubMed Central

Levin, Igor; Vanderah, Terrell

2008-01-01

The functional responses (e.g., dielectric, magnetic, catalytic, etc.) of many industrially-relevant materials are controlled by their local structure—a term that refers to the atomic arrangements on a scale ranging from atomic (sub-nanometer) to several nanometers. Thus, accurate knowledge of local structure is central to understanding the properties of nanostructured materials, thereby placing the problem of determining atomic positions on the nanoscale—the so-called “nanostructure problem”—at the center of modern materials development. Today, multiple experimental techniques exist for probing local atomic arrangements; nonetheless, finding accurate comprehensive, and robust structural solutions for the nanostructured materials still remains a formidable challenge because any one of these methods yields only a partial view of the local structure. The primary goal of this 2-day NIST-sponsored workshop was to bring together experts in the key experimental and theoretical areas relevant to local-structure determination to devise a strategy for the collaborative effort required to develop a comprehensive measurement solution on the local scale. The participants unanimously agreed that solving the nanostructure problem—an ultimate frontier in materials characterization—necessitates a coordinated interdisciplinary effort that transcends the existing capabilities of any single institution, including national laboratories, centers, and user facilities. The discussions converged on an institute dedicated to local structure determination as the most viable organizational platform for successfully addressing the nanostructure problem. The proposed “institute” would provide an intellectual infrastructure for local structure determination by (1) developing and maintaining relevant computer software integrated in an open-source global optimization framework (Fig. 2), (2) connecting industrial and academic users with experts in measurement techniques, (3) developing and maintaining pertinent databases, and (4) providing necessary education and training. PMID:27096131

Accurate Determination of the Frequency Response Function of Submerged and Confined Structures by Using PZT-Patches†.

PubMed

Presas, Alexandre; Valentin, David; Egusquiza, Eduard; Valero, Carme; Egusquiza, Mònica; Bossio, Matias

2017-03-22

To accurately determine the dynamic response of a structure is of relevant interest in many engineering applications. Particularly, it is of paramount importance to determine the Frequency Response Function (FRF) for structures subjected to dynamic loads in order to avoid resonance and fatigue problems that can drastically reduce their useful life. One challenging case is the experimental determination of the FRF of submerged and confined structures, such as hydraulic turbines, which are greatly affected by dynamic problems as reported in many cases in the past. The utilization of classical and calibrated exciters such as instrumented hammers or shakers to determine the FRF in such structures can be very complex due to the confinement of the structure and because their use can disturb the boundary conditions affecting the experimental results. For such cases, Piezoelectric Patches (PZTs), which are very light, thin and small, could be a very good option. Nevertheless, the main drawback of these exciters is that the calibration as dynamic force transducers (relationship voltage/force) has not been successfully obtained in the past. Therefore, in this paper, a method to accurately determine the FRF of submerged and confined structures by using PZTs is developed and validated. The method consists of experimentally determining some characteristic parameters that define the FRF, with an uncalibrated PZT exciting the structure. These parameters, which have been experimentally determined, are then introduced in a validated numerical model of the tested structure. In this way, the FRF of the structure can be estimated with good accuracy. With respect to previous studies, where only the natural frequencies and mode shapes were considered, this paper discuss and experimentally proves the best excitation characteristic to obtain also the damping ratios and proposes a procedure to fully determine the FRF. The method proposed here has been validated for the structure vibrating in air comparing the FRF experimentally obtained with a calibrated exciter (impact Hammer) and the FRF obtained with the described method. Finally, the same methodology has been applied for the structure submerged and close to a rigid wall, where it is extremely important to not modify the boundary conditions for an accurate determination of the FRF. As experimentally shown in this paper, in such cases, the use of PZTs combined with the proposed methodology gives much more accurate estimations of the FRF than other calibrated exciters typically used for the same purpose. Therefore, the validated methodology proposed in this paper can be used to obtain the FRF of a generic submerged and confined structure, without a previous calibration of the PZT.

Can ill-structured problems reveal beliefs about medical knowledge and knowing? A focus-group approach

PubMed Central

Roex, Ann; Clarebout, Geraldine; Dory, Valerie; Degryse, Jan

2009-01-01

Background Epistemological beliefs (EB) are an individual's cognitions about knowledge and knowing. In several non-medical domains, EB have been found to contribute to the way individuals reason when faced with ill-structured problems (i.e. problems with no clear-cut, right or wrong solutions). Such problems are very common in medical practice. Determining whether EB are also influential in reasoning processes with regard to medical issues to which there is no straightforward answer, could have implications for medical education. This study focused on 2 research questions: 1. Can ill-structured problems be used to elicit general practice trainees' and trainers' EB? and 2. What are the views of general practice trainees and trainers about knowledge and how do they justify knowing? Methods 2 focus groups of trainees (n = 18) were convened on 3 occasions during their 1st year of postgraduate GP training. 2 groups of GP trainers (n = 11) met on one occasion. Based on the methodology of the Reflective Judgement Interview (RJI), participants were asked to comment on 11 ill-structured problems. The sessions were audio taped and transcribed and an adapted version of the RJI scoring rules was used to assess the trainees' reasoning about ill-structured problems. Results Participants made a number of statements illustrating their EB and their importance in clinical reasoning. The level of EB varied widely form one meeting to another and depending on the problem addressed. Overall, the EB expressed by trainees did not differ from those of trainers except on a particular ill-structured problem regarding shoulder pain. Conclusion The use of focus groups has entailed some difficulties in the interpretation of the results, but a number of preliminary conclusions can be drawn. Ill-structured medical problems can be used to elicit EB. Most trainees and trainers displayed pre-reflective and quasi-reflective EB. The way trainees and doctors view and justify knowledge are likely to be involved in medical reasoning processes. PMID:19775425

Least-squares sequential parameter and state estimation for large space structures

NASA Technical Reports Server (NTRS)

Thau, F. E.; Eliazov, T.; Montgomery, R. C.

1982-01-01

This paper presents the formulation of simultaneous state and parameter estimation problems for flexible structures in terms of least-squares minimization problems. The approach combines an on-line order determination algorithm, with least-squares algorithms for finding estimates of modal approximation functions, modal amplitudes, and modal parameters. The approach combines previous results on separable nonlinear least squares estimation with a regression analysis formulation of the state estimation problem. The technique makes use of sequential Householder transformations. This allows for sequential accumulation of matrices required during the identification process. The technique is used to identify the modal prameters of a flexible beam.

Detection of LiveLock in BPMN Using Process Expression

NASA Astrophysics Data System (ADS)

Tantitharanukul, Nasi; Jumpamule, Watcharee

Although the Business Process Modeling Notation (BPMN) is a popular tool for modeling business process in conceptual level, the result diagram may contain structural problem. One of the structural problems is livelock. In this problem, one token proceeds to end event, while other token is still in process with no progression. In this paper, we introduce an expression liked method to detect livelock in the BPMN diagram. Our approach utilizes the power of the declarative ability of expression to determine all of the possible process chains, and indicate whether there are livelock or not. As a result, we have shown that our method can detect livelock, if any.

SDSL-ESR-based protein structure characterization.

PubMed

Strancar, Janez; Kavalenka, Aleh; Urbancic, Iztok; Ljubetic, Ajasja; Hemminga, Marcus A

2010-03-01

As proteins are key molecules in living cells, knowledge about their structure can provide important insights and applications in science, biotechnology, and medicine. However, many protein structures are still a big challenge for existing high-resolution structure-determination methods, as can be seen in the number of protein structures published in the Protein Data Bank. This is especially the case for less-ordered, more hydrophobic and more flexible protein systems. The lack of efficient methods for structure determination calls for urgent development of a new class of biophysical techniques. This work attempts to address this problem with a novel combination of site-directed spin labelling electron spin resonance spectroscopy (SDSL-ESR) and protein structure modelling, which is coupled by restriction of the conformational spaces of the amino acid side chains. Comparison of the application to four different protein systems enables us to generalize the new method and to establish a general procedure for determination of protein structure.

Tomographic reconstruction of layered tissue structures

NASA Astrophysics Data System (ADS)

Hielscher, Andreas H.; Azeez-Jan, Mohideen; Bartel, Sebastian

2001-11-01

In recent years the interest in the determination of optical properties of layered tissue structure has resurfaced. Applications include, for example, studies on layered skin tissue and underlying muscles, imaging of the brain underneath layers of skin, skull, and meninges, and imaging of the fetal head in utero beneath the layered structures of the maternal abdomen. In this work we approach the problem of layered structures in the framework of model-based iterative image reconstruction schemes. These schemes are currently developed to determine the optical properties inside tissue from measurement on the surface. If applied to layered structure these techniques yield substantial improvements over currently available semi-analytical approaches.

An approach to determination of shunt circuits parameters for damping vibrations

NASA Astrophysics Data System (ADS)

Matveenko; Iurlova; Oshmarin; Sevodina; Iurlov

2018-04-01

This paper considers the problem of natural vibrations of a deformable structure containing elements made of piezomaterials. The piezoelectric elements are connected through electrodes to an external electric circuit, which consists of resistive, inductive and capacitive elements. Based on the solution of this problem, the parameters of external electric circuits are searched for to allow optimal passive control of the structural vibrations. The solution to the problem is complex natural vibration frequencies, the real part of which corresponds to the circular eigenfrequency of vibrations and the imaginary part corresponds to its damping rate (damping ratio). The analysis of behaviour of the imaginary parts of complex eigenfrequencies in the space of external circuit parameters allows one to damp given modes of structure vibrations. The effectiveness of the proposed approach is demonstrated using a cantilever-clamped plate and a shell structure in the form of a semi-cylinder connected to series resonant ? circuits.

On decoupling of volatility smile and term structure in inverse option pricing

NASA Astrophysics Data System (ADS)

Egger, Herbert; Hein, Torsten; Hofmann, Bernd

2006-08-01

Correct pricing of options and other financial derivatives is of great importance to financial markets and one of the key subjects of mathematical finance. Usually, parameters specifying the underlying stochastic model are not directly observable, but have to be determined indirectly from observable quantities. The identification of local volatility surfaces from market data of European vanilla options is one very important example of this type. As with many other parameter identification problems, the reconstruction of local volatility surfaces is ill-posed, and reasonable results can only be achieved via regularization methods. Moreover, due to the sparsity of data, the local volatility is not uniquely determined, but depends strongly on the kind of regularization norm used and a good a priori guess for the parameter. By assuming a multiplicative structure for the local volatility, which is motivated by the specific data situation, the inverse problem can be decomposed into two separate sub-problems. This removes part of the non-uniqueness and allows us to establish convergence and convergence rates under weak assumptions. Additionally, a numerical solution of the two sub-problems is much cheaper than that of the overall identification problem. The theoretical results are illustrated by numerical tests.

A Benchmark Problem for Development of Autonomous Structural Modal Identification

NASA Technical Reports Server (NTRS)

Pappa, Richard S.; Woodard, Stanley E.; Juang, Jer-Nan

1996-01-01

This paper summarizes modal identification results obtained using an autonomous version of the Eigensystem Realization Algorithm on a dynamically complex, laboratory structure. The benchmark problem uses 48 of 768 free-decay responses measured in a complete modal survey test. The true modal parameters of the structure are well known from two previous, independent investigations. Without user involvement, the autonomous data analysis identified 24 to 33 structural modes with good to excellent accuracy in 62 seconds of CPU time (on a DEC Alpha 4000 computer). The modal identification technique described in the paper is the baseline algorithm for NASA's Autonomous Dynamics Determination (ADD) experiment scheduled to fly on International Space Station assembly flights in 1997-1999.

A Bayesian Approach for Determining Protein Side-Chain Rotamer Conformations Using Unassigned NOE Data

PubMed Central

Zeng, Jianyang; Roberts, Kyle E.; Zhou, Pei

2011-01-01

Abstract A major bottleneck in protein structure determination via nuclear magnetic resonance (NMR) is the lengthy and laborious process of assigning resonances and nuclear Overhauser effect (NOE) cross peaks. Recent studies have shown that accurate backbone folds can be determined using sparse NMR data, such as residual dipolar couplings (RDCs) or backbone chemical shifts. This opens a question of whether we can also determine the accurate protein side-chain conformations using sparse or unassigned NMR data. We attack this question by using unassigned nuclear Overhauser effect spectroscopy (NOESY) data, which records the through-space dipolar interactions between protons nearby in three-dimensional (3D) space. We propose a Bayesian approach with a Markov random field (MRF) model to integrate the likelihood function derived from observed experimental data, with prior information (i.e., empirical molecular mechanics energies) about the protein structures. We unify the side-chain structure prediction problem with the side-chain structure determination problem using unassigned NMR data, and apply the deterministic dead-end elimination (DEE) and A* search algorithms to provably find the global optimum solution that maximizes the posterior probability. We employ a Hausdorff-based measure to derive the likelihood of a rotamer or a pairwise rotamer interaction from unassigned NOESY data. In addition, we apply a systematic and rigorous approach to estimate the experimental noise in NMR data, which also determines the weighting factor of the data term in the scoring function derived from the Bayesian framework. We tested our approach on real NMR data of three proteins: the FF Domain 2 of human transcription elongation factor CA150 (FF2), the B1 domain of Protein G (GB1), and human ubiquitin. The promising results indicate that our algorithm can be applied in high-resolution protein structure determination. Since our approach does not require any NOE assignment, it can accelerate the NMR structure determination process. PMID:21970619

Crystallization of Membrane Proteins by Vapor Diffusion

PubMed Central

Delmar, Jared A.; Bolla, Jani Reddy; Su, Chih-Chia; Yu, Edward W.

2016-01-01

X-ray crystallography remains the most robust method to determine protein structure at the atomic level. However, the bottlenecks of protein expression and purification often discourage further study. In this chapter, we address the most common problems encountered at these stages. Based on our experiences in expressing and purifying antimicrobial efflux proteins, we explain how a pure and homogenous protein sample can be successfully crystallized by the vapor diffusion method. We present our current protocols and methodologies for this technique. Case studies show step-by-step how we have overcome problems related to expression and diffraction, eventually producing high quality membrane protein crystals for structural determinations. It is our hope that a rational approach can be made of the often anecdotal process of membrane protein crystallization. PMID:25950974

Probabilistic Component Mode Synthesis of Nondeterministic Substructures

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1996-01-01

Standard methods of structural dynamic analysis assume that the structural characteristics are deterministic. Recognizing that these characteristics are actually statistical in nature researchers have recently developed a variety of methods that use this information to determine probabilities of a desired response characteristic, such as natural frequency, without using expensive Monte Carlo simulations. One of the problems in these methods is correctly identifying the statistical properties of primitive variables such as geometry, stiffness, and mass. We present a method where the measured dynamic properties of substructures are used instead as the random variables. The residual flexibility method of component mode synthesis is combined with the probabilistic methods to determine the cumulative distribution function of the system eigenvalues. A simple cantilever beam test problem is presented that illustrates the theory.

Population, poverty and social transformation: an alternative paradigm.

PubMed

Pethe, V P

1992-06-01

"In this paper I have proposed a new alternative paradigm on the interrelations between population, poverty and the related concerns [in India]. Its central thesis is that the population problem has also the concomitant social problems [of] unemployment, ill health, [and] crime, [with] (1) poverty as their 'immediate' determinant, (2) such evils as inequality, consumerism, military expenditure, defective planning...as their 'intermediate' determinants, and (3) out-moded non-egalitarian social structures, vicious human psyche and spiritual degradation as their 'ultimate' determinants. This new paradigm has implications for policy and programme logistics that are fundamentally different from official policy." excerpt

An Investigation of Joint Service Acquisition Logistics Issues/Problems and Automated Joint Program Support.

DTIC Science & Technology

1984-09-01

Management Information System (ALMIS) to address them. Literature was surveyed and problems were summarized and developed into a questionnaire. Structured interviews were then conducted with over 100 different Air Force and civilian upper and middle JSAP managers. Many general and specific problems and issues were identified and validated using statistical and qualitative methods. General use of ALMIS to address certain joint service problem areas was confirmed. Potential use and desirable capabilities for ALMIS were also determined. Recommendations for ALMIS

The Multidimensional Structure of University Absenteeism: An Exploratory Study

ERIC Educational Resources Information Center

López-Bonilla, Jesús Manuel; López-Bonilla, Luis Miguel

2015-01-01

Absenteeism has been a common and very extended problem in university spheres for several years. This problem has become a permanent feature in academic studies in general, yet it has received scarce empirical research attention. This work is focused on the analysis of the factors that determine university absenteeism. It evaluates a series of…

Model correlation and damage location for large space truss structures: Secant method development and evaluation

NASA Technical Reports Server (NTRS)

Smith, Suzanne Weaver; Beattie, Christopher A.

1991-01-01

On-orbit testing of a large space structure will be required to complete the certification of any mathematical model for the structure dynamic response. The process of establishing a mathematical model that matches measured structure response is referred to as model correlation. Most model correlation approaches have an identification technique to determine structural characteristics from the measurements of the structure response. This problem is approached with one particular class of identification techniques - matrix adjustment methods - which use measured data to produce an optimal update of the structure property matrix, often the stiffness matrix. New methods were developed for identification to handle problems of the size and complexity expected for large space structures. Further development and refinement of these secant-method identification algorithms were undertaken. Also, evaluation of these techniques is an approach for model correlation and damage location was initiated.

When the lowest energy does not induce native structures: parallel minimization of multi-energy values by hybridizing searching intelligences.

PubMed

Lü, Qiang; Xia, Xiao-Yan; Chen, Rong; Miao, Da-Jun; Chen, Sha-Sha; Quan, Li-Jun; Li, Hai-Ou

2012-01-01

Protein structure prediction (PSP), which is usually modeled as a computational optimization problem, remains one of the biggest challenges in computational biology. PSP encounters two difficult obstacles: the inaccurate energy function problem and the searching problem. Even if the lowest energy has been luckily found by the searching procedure, the correct protein structures are not guaranteed to obtain. A general parallel metaheuristic approach is presented to tackle the above two problems. Multi-energy functions are employed to simultaneously guide the parallel searching threads. Searching trajectories are in fact controlled by the parameters of heuristic algorithms. The parallel approach allows the parameters to be perturbed during the searching threads are running in parallel, while each thread is searching the lowest energy value determined by an individual energy function. By hybridizing the intelligences of parallel ant colonies and Monte Carlo Metropolis search, this paper demonstrates an implementation of our parallel approach for PSP. 16 classical instances were tested to show that the parallel approach is competitive for solving PSP problem. This parallel approach combines various sources of both searching intelligences and energy functions, and thus predicts protein conformations with good quality jointly determined by all the parallel searching threads and energy functions. It provides a framework to combine different searching intelligence embedded in heuristic algorithms. It also constructs a container to hybridize different not-so-accurate objective functions which are usually derived from the domain expertise.

When the Lowest Energy Does Not Induce Native Structures: Parallel Minimization of Multi-Energy Values by Hybridizing Searching Intelligences

PubMed Central

Lü, Qiang; Xia, Xiao-Yan; Chen, Rong; Miao, Da-Jun; Chen, Sha-Sha; Quan, Li-Jun; Li, Hai-Ou

2012-01-01

Background Protein structure prediction (PSP), which is usually modeled as a computational optimization problem, remains one of the biggest challenges in computational biology. PSP encounters two difficult obstacles: the inaccurate energy function problem and the searching problem. Even if the lowest energy has been luckily found by the searching procedure, the correct protein structures are not guaranteed to obtain. Results A general parallel metaheuristic approach is presented to tackle the above two problems. Multi-energy functions are employed to simultaneously guide the parallel searching threads. Searching trajectories are in fact controlled by the parameters of heuristic algorithms. The parallel approach allows the parameters to be perturbed during the searching threads are running in parallel, while each thread is searching the lowest energy value determined by an individual energy function. By hybridizing the intelligences of parallel ant colonies and Monte Carlo Metropolis search, this paper demonstrates an implementation of our parallel approach for PSP. 16 classical instances were tested to show that the parallel approach is competitive for solving PSP problem. Conclusions This parallel approach combines various sources of both searching intelligences and energy functions, and thus predicts protein conformations with good quality jointly determined by all the parallel searching threads and energy functions. It provides a framework to combine different searching intelligence embedded in heuristic algorithms. It also constructs a container to hybridize different not-so-accurate objective functions which are usually derived from the domain expertise. PMID:23028708

Dynamic Restarting Schemes for Eigenvalue Problems

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

Wu, Kesheng; Simon, Horst D.

1999-03-10

In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.

The Role of Geriatric Assessment Units in Caring for the Elderly: An Analytic Review.

ERIC Educational Resources Information Center

Rubenstein, Laurence Z.; And Others

1982-01-01

Although their structures and objectives vary considerably Geriatric Assessment Units (GAUs) are generally designed to assess elderly patients' medical and psychosocial problems, to determine optimal placement, and often to provide therapy and rehabilitation. Offers a framework for examining structural and outcome variables for GAUs. (Author)

Pedagogical Interaction in High School, the Structural and Functional Model of Pedagogical Interaction

ERIC Educational Resources Information Center

Semenova, Larissa A.; Kazantseva, Anastassiya I.; Sergeyeva, Valeriya V.; Raklova, Yekaterina M.; Baiseitova, Zhanar B.

2016-01-01

The study covers the problems of pedagogical technologies and their experimental implementation in the learning process. The theoretical aspects of the "student-teacher" interaction are investigated. A structural and functional model of pedagogical interaction is offered, which determines the conditions for improving pedagogical…

Prediction of Breakthrough Curves for Conservative and Reactive Transport from the Structural Parameters of Highly Heterogeneous Media

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

Hansen, Scott; Haslauer, Claus P.; Cirpka, Olaf A.

2017-01-05

The key points of this presentation were to approach the problem of linking breakthrough curve shape (RP-CTRW transition distribution) to structural parameters from a Monte Carlo approach and to use the Monte Carlo analysis to determine any empirical error

Promoting Social Inclusion: A Structured Intervention for Enhancing Interpersonal Problem-Solving Skills in Children with Mild Intellectual Disabilities

ERIC Educational Resources Information Center

Vlachou, Anastasia; Stavroussi, Panayiota

2016-01-01

There has been increasing interest in providing students with disabilities, who are at risk of social isolation, with opportunities to develop social competence and self-determination. Specifically, the provision of opportunities for teaching these students to promote social problem-solving skills is potentially useful for facilitating their…

Evaluation of a Problem-based Learning Workshop Using Pre- and Post-test Objective Structured Clinical Examinations and Standardized Patients.

ERIC Educational Resources Information Center

Davis, Paul; Kvern, Brent; Donen, Neil; Andrews, Elaine; Nixon, Olga

2000-01-01

Pre/posttest data on 40 physicians who completed problem-based clinical scenarios on osteoporosis revealed that 39 showed improvement or modest change in postworkshop scores, especially in terms of management of male patients, determination of risk factors, and use and interpretation of bone density tests. (SK)

Workplace responsibility, stress, alcohol availability and norms as predictors of alcohol consumption-related problems among employed workers.

PubMed

Hodgins, David C; Williams, Robert; Munro, Gordon

2009-01-01

The objectives of this study were to determine the prevalence of alcohol use and problems among employed individuals in Alberta, Canada (N = 1,890), and to conduct a multivariate examination of predictors of alcohol consumption-related problems. General alcohol problems were identified by 10%, although very few workers described any specific work-related alcohol problems (1%). Structural equation modeling revealed that, as hypothesized, workplace alcohol availability predicted general alcohol problems. Job responsibility and workplace norms also predicted alcohol problems but only for men. Perceived work stress did not predict alcohol problems. Results support the development of interventions that focus on re-shaping alcohol use norms.

First-passage problems: A probabilistic dynamic analysis for degraded structures

NASA Technical Reports Server (NTRS)

Shiao, Michael C.; Chamis, Christos C.

1990-01-01

Structures subjected to random excitations with uncertain system parameters degraded by surrounding environments (a random time history) are studied. Methods are developed to determine the statistics of dynamic responses, such as the time-varying mean, the standard deviation, the autocorrelation functions, and the joint probability density function of any response and its derivative. Moreover, the first-passage problems with deterministic and stationary/evolutionary random barriers are evaluated. The time-varying (joint) mean crossing rate and the probability density function of the first-passage time for various random barriers are derived.

Analytical study of sandwich structures using Euler-Bernoulli beam equation

NASA Astrophysics Data System (ADS)

Xue, Hui; Khawaja, H.

2017-01-01

This paper presents an analytical study of sandwich structures. In this study, the Euler-Bernoulli beam equation is solved analytically for a four-point bending problem. Appropriate initial and boundary conditions are specified to enclose the problem. In addition, the balance coefficient is calculated and the Rule of Mixtures is applied. The focus of this study is to determine the effective material properties and geometric features such as the moment of inertia of a sandwich beam. The effective parameters help in the development of a generic analytical correlation for complex sandwich structures from the perspective of four-point bending calculations. The main outcomes of these analytical calculations are the lateral displacements and longitudinal stresses for each particular material in the sandwich structure.

Buckling and limit states of composite profiles with top-hat channel section subjected to axial compression

NASA Astrophysics Data System (ADS)

RóŻyło, Patryk; Debski, Hubert; Kral, Jan

2018-01-01

The subject of the research was a short thin-walled top-hat cross-section composite profile. The tested structure was subjected to axial compression. As part of the critical state research, critical load and the corresponding buckling mode was determined. Later in the study laminate damage areas were determined throughout numerical analysis. It was assumed that the profile is simply supported on the cross sections ends. Experimental tests were carried out on a universal testing machine Zwick Z100 and the results were compared with the results of numerical calculations. The eigenvalue problem and a non-linear problem of stability of thin-walled structures were carried out by the use of commercial software ABAQUS®. In the presented cases, it was assumed that the material is linear-elastic and non-linearity of the model results from the large displacements. Solution to the geometrically nonlinear problem was conducted by the use of the incremental-iterative Newton-Raphson method.

[Continuity and discontinuity of the geomerida: the bionomic and biotic aspects].

PubMed

Kafanov, A I

2005-01-01

The view of the spatial structure of the geomerida (Earth's life cover) as a continuum that prevails in modern phytocoenology is mostly determined by a physiognomic (landscape-bionomic) discrimination of vegetation components. In this connection, geography of life forms appears as subject of the landscapebionomic biogeography. In zoocoenology there is a tendency of synthesis of alternative concepts based on the assumption that there are no absolute continuum and absolute discontinuum in the organic nature. The problem of continuum and discontinuum of living cover being problem of scale aries from fractal structure of geomerida. This problem arises from fractal nature of the spatial structure of geomerida. The continuum mainly belongs to regularities of topological order. At regional and subregional scale the continuum of biochores is rather rare. The objective evidences of relative discontinuity of the living cover are determined by significant alterations of species diversity at the regional, subregional and even topological scale Alternatively to conventionally discriminated units in physionomically continuous vegetation, the same biotic complexes, represented as operational units of biogeographical and biocenological zoning, are distinguished repeatedly and independently by different researchers. An area occupied by certain flora (fauna, biota) could be considered as elementary unit of biotic diversity (elementary biotic complex).

Surface similarity-based molecular query-retrieval

PubMed Central

Singh, Rahul

2007-01-01

Background Discerning the similarity between molecules is a challenging problem in drug discovery as well as in molecular biology. The importance of this problem is due to the fact that the biochemical characteristics of a molecule are closely related to its structure. Therefore molecular similarity is a key notion in investigations targeting exploration of molecular structural space, query-retrieval in molecular databases, and structure-activity modelling. Determining molecular similarity is related to the choice of molecular representation. Currently, representations with high descriptive power and physical relevance like 3D surface-based descriptors are available. Information from such representations is both surface-based and volumetric. However, most techniques for determining molecular similarity tend to focus on idealized 2D graph-based descriptors due to the complexity that accompanies reasoning with more elaborate representations. Results This paper addresses the problem of determining similarity when molecules are described using complex surface-based representations. It proposes an intrinsic, spherical representation that systematically maps points on a molecular surface to points on a standard coordinate system (a sphere). Molecular surface properties such as shape, field strengths, and effects due to field super-positioningcan then be captured as distributions on the surface of the sphere. Surface-based molecular similarity is subsequently determined by computing the similarity of the surface-property distributions using a novel formulation of histogram-intersection. The similarity formulation is not only sensitive to the 3D distribution of the surface properties, but is also highly efficient to compute. Conclusion The proposed method obviates the computationally expensive step of molecular pose-optimisation, can incorporate conformational variations, and facilitates highly efficient determination of similarity by directly comparing molecular surfaces and surface-based properties. Retrieval performance, applications in structure-activity modeling of complex biological properties, and comparisons with existing research and commercial methods demonstrate the validity and effectiveness of the approach. PMID:17634096

Accurate Determination of the Frequency Response Function of Submerged and Confined Structures by Using PZT-Patches †

PubMed Central

Presas, Alexandre; Valentin, David; Egusquiza, Eduard; Valero, Carme; Egusquiza, Mònica; Bossio, Matias

2017-01-01

To accurately determine the dynamic response of a structure is of relevant interest in many engineering applications. Particularly, it is of paramount importance to determine the Frequency Response Function (FRF) for structures subjected to dynamic loads in order to avoid resonance and fatigue problems that can drastically reduce their useful life. One challenging case is the experimental determination of the FRF of submerged and confined structures, such as hydraulic turbines, which are greatly affected by dynamic problems as reported in many cases in the past. The utilization of classical and calibrated exciters such as instrumented hammers or shakers to determine the FRF in such structures can be very complex due to the confinement of the structure and because their use can disturb the boundary conditions affecting the experimental results. For such cases, Piezoelectric Patches (PZTs), which are very light, thin and small, could be a very good option. Nevertheless, the main drawback of these exciters is that the calibration as dynamic force transducers (relationship voltage/force) has not been successfully obtained in the past. Therefore, in this paper, a method to accurately determine the FRF of submerged and confined structures by using PZTs is developed and validated. The method consists of experimentally determining some characteristic parameters that define the FRF, with an uncalibrated PZT exciting the structure. These parameters, which have been experimentally determined, are then introduced in a validated numerical model of the tested structure. In this way, the FRF of the structure can be estimated with good accuracy. With respect to previous studies, where only the natural frequencies and mode shapes were considered, this paper discuss and experimentally proves the best excitation characteristic to obtain also the damping ratios and proposes a procedure to fully determine the FRF. The method proposed here has been validated for the structure vibrating in air comparing the FRF experimentally obtained with a calibrated exciter (impact Hammer) and the FRF obtained with the described method. Finally, the same methodology has been applied for the structure submerged and close to a rigid wall, where it is extremely important to not modify the boundary conditions for an accurate determination of the FRF. As experimentally shown in this paper, in such cases, the use of PZTs combined with the proposed methodology gives much more accurate estimations of the FRF than other calibrated exciters typically used for the same purpose. Therefore, the validated methodology proposed in this paper can be used to obtain the FRF of a generic submerged and confined structure, without a previous calibration of the PZT. PMID:28327501

Three key residues form a critical contact network in a protein folding transition state

NASA Astrophysics Data System (ADS)

Vendruscolo, Michele; Paci, Emanuele; Dobson, Christopher M.; Karplus, Martin

2001-02-01

Determining how a protein folds is a central problem in structural biology. The rate of folding of many proteins is determined by the transition state, so that a knowledge of its structure is essential for understanding the protein folding reaction. Here we use mutation measurements-which determine the role of individual residues in stabilizing the transition state-as restraints in a Monte Carlo sampling procedure to determine the ensemble of structures that make up the transition state. We apply this approach to the experimental data for the 98-residue protein acylphosphatase, and obtain a transition-state ensemble with the native-state topology and an average root-mean-square deviation of 6Å from the native structure. Although about 20 residues with small positional fluctuations form the structural core of this transition state, the native-like contact network of only three of these residues is sufficient to determine the overall fold of the protein. This result reveals how a nucleation mechanism involving a small number of key residues can lead to folding of a polypeptide chain to its unique native-state structure.

Numerical viscosity and resolution of high-order weighted essentially nonoscillatory schemes for compressible flows with high Reynolds numbers.

PubMed

Zhang, Yong-Tao; Shi, Jing; Shu, Chi-Wang; Zhou, Ye

2003-10-01

A quantitative study is carried out in this paper to investigate the size of numerical viscosities and the resolution power of high-order weighted essentially nonoscillatory (WENO) schemes for solving one- and two-dimensional Navier-Stokes equations for compressible gas dynamics with high Reynolds numbers. A one-dimensional shock tube problem, a one-dimensional example with parameters motivated by supernova and laser experiments, and a two-dimensional Rayleigh-Taylor instability problem are used as numerical test problems. For the two-dimensional Rayleigh-Taylor instability problem, or similar problems with small-scale structures, the details of the small structures are determined by the physical viscosity (therefore, the Reynolds number) in the Navier-Stokes equations. Thus, to obtain faithful resolution to these small-scale structures, the numerical viscosity inherent in the scheme must be small enough so that the physical viscosity dominates. A careful mesh refinement study is performed to capture the threshold mesh for full resolution, for specific Reynolds numbers, when WENO schemes of different orders of accuracy are used. It is demonstrated that high-order WENO schemes are more CPU time efficient to reach the same resolution, both for the one-dimensional and two-dimensional test problems.

Adolescent cigarette smoking: health-related behavior or normative transgression?

PubMed

Turbin, M S; Jessor, R; Costa, F M

2000-09-01

Relations among measures of adolescent behavior were examined to determine whether cigarette smoking fits into a structure of problem behaviors-behaviors that involve normative transgression-or a structure of health-related behaviors, or both. In an ethnically and socioeconomically diverse sample of 1782 male and female high school adolescents, four first-order problem behavior latent variables-sexual intercourse experience, alcohol abuse, illicit drug use, and delinquency-were established and together were shown to reflect a second-order latent variable of problem behavior. Four first-order latent variables of health-related behaviors-unhealthy dietary habits, sedentary behavior, unsafe behavior, and poor dental hygiene-were also established and together were shown to reflect a second-order latent variable of health-compromising behavior. The structure of relations among those latent variables was modeled. Cigarette smoking had a significant and substantial loading only on the problem-behavior latent variable; its loading on the health-compromising behavior latent variable was essentially zero. Adolescent cigarette smoking relates strongly and directly to problem behaviors and only indirectly, if at all, to health-compromising behaviors. Interventions to prevent or reduce adolescent smoking should attend more to factors that influence problem behaviors.

REVIEWS OF TOPICAL PROBLEMS: Axisymmetric stationary flows in compact astrophysical objects

NASA Astrophysics Data System (ADS)

Beskin, Vasilii S.

1997-07-01

A review is presented of the analytical results available for a large class of axisymmetric stationary flows in the vicinity of compact astrophysical objects. The determination of the two-dimensional structure of the poloidal magnetic field (hydrodynamic flow field) faces severe difficulties, due to the complexity of the trans-field equation for stationary axisymmetric flows. However, an approach exists which enables direct problems to be solved even within the balance law framework. This possibility arises when an exact solution to the equation is available and flows close to it are investigated. As a result, with the use of simple model problems, the basic features of supersonic flows past real compact objects are determined.

Optimization, Monotonicity and the Determination of Nash Equilibria — An Algorithmic Analysis

NASA Astrophysics Data System (ADS)

Lozovanu, D.; Pickl, S. W.; Weber, G.-W.

2004-08-01

This paper is concerned with the optimization of a nonlinear time-discrete model exploiting the special structure of the underlying cost game and the property of inverse matrices. The costs are interlinked by a system of linear inequalities. It is shown that, if the players cooperate, i.e., minimize the sum of all the costs, they achieve a Nash equilibrium. In order to determine Nash equilibria, the simplex method can be applied with respect to the dual problem. An introduction into the TEM model and its relationship to an economic Joint Implementation program is given. The equivalence problem is presented. The construction of the emission cost game and the allocation problem is explained. The assumption of inverse monotony for the matrices leads to a new result in the area of such allocation problems. A generalization of such problems is presented.

Children with New-Onset Epilepsy: Neuropsychological Status and Brain Structure

ERIC Educational Resources Information Center

Hermann, Bruce; Jones, Jana; Sheth, Raj; Dow, Christian; Koehn, Monica; Seidenberg, Michael

2006-01-01

Abnormalities in cognition, academic performance and brain volumetrics have been reported in children with chronic epilepsy. The nature and degree to which these problems may be present at epilepsy onset or may instead become more evident over time remains to be determined. This study characterizes neuropsychological status, brain structure and…

Thinking in Patterns to Solve Multiplication, Division, and Fraction Problems in Second Grade

ERIC Educational Resources Information Center

Stokes, Patricia D.

2016-01-01

Experts think in patterns and structures using the specific "language" of their domains. For mathematicians, these patterns and structures are represented by numbers, symbols and their relationships (Stokes, 2014a). To determine whether elementary students in the United States could learn to think in mathematical patterns to solve…

The use of expensive technologies instead of simple, sound and effective lifestyle interventions: a perpetual delusion

PubMed Central

Carlos, Silvia; de Irala, Jokin; Hanley, Matt; Martínez-González, Miguel Ángel

2014-01-01

A dangerous distortion of priorities seems to be currently apparent in the dominant approaches to major public health problems, including cardiovascular disease, diabetes, obesity, cancer and some infectious diseases. Relevant examples suggest an apparently inappropriate tendency to prioritise technocratic, partial solutions rather than confronting their true behavioural and structural determinants. Technically oriented preventive medicine often takes excessive precedence over simpler, more sensible approaches to modify lifestyles, the environment and the social structure. Structural factors (social, cultural, financial, familiar, educational, political or ideological factors) that act as determinants of individual behaviours should be effectively addressed to confront the essential causes of the most prevalent and important health problems. Some consumer-directed commercial forces seem to be increasingly driving many aspects of the current sociocultural environment, and may eventually compromise the main pursuits of public health. Population-wide strategies are needed to create a healthy sociocultural environment and to empower individuals and make themselves resistant to these adverse environmental and structural pressures. Otherwise most public health interventions will most likely end in failures. PMID:24962820

Soft Computing Methods for Disulfide Connectivity Prediction.

PubMed

Márquez-Chamorro, Alfonso E; Aguilar-Ruiz, Jesús S

2015-01-01

The problem of protein structure prediction (PSP) is one of the main challenges in structural bioinformatics. To tackle this problem, PSP can be divided into several subproblems. One of these subproblems is the prediction of disulfide bonds. The disulfide connectivity prediction problem consists in identifying which nonadjacent cysteines would be cross-linked from all possible candidates. Determining the disulfide bond connectivity between the cysteines of a protein is desirable as a previous step of the 3D PSP, as the protein conformational search space is highly reduced. The most representative soft computing approaches for the disulfide bonds connectivity prediction problem of the last decade are summarized in this paper. Certain aspects, such as the different methodologies based on soft computing approaches (artificial neural network or support vector machine) or features of the algorithms, are used for the classification of these methods.

Dynamic loading and stress life analysis of permanent space station modules

NASA Astrophysics Data System (ADS)

Anisimov, A. V.; Krokhin, I. A.; Likhoded, A. I.; Malinin, A. A.; Panichkin, N. G.; Sidorov, V. V.; Titov, V. A.

2016-11-01

Some methodological approaches to solving several key problems of dynamic loading and structural strength analysis of Permanent Space Station (PSS)modules developed on the basis of the working experience of Soviet and Russian PSS and the International Space station (ISS) are presented. The solutions of the direct and semi-inverse problems of PSS structure dynamics are mathematically stated. Special attention is paid to the use of the results of ground structural strength tests of space station modules and the data on the actual flight actions on the station and its dynamic responses in the orbital operation regime. The procedure of determining the dynamics and operation life parameters of elements of the PSS modules is described.

The Proposal of a Evolutionary Strategy Generating the Data Structures Based on a Horizontal Tree for the Tests

NASA Astrophysics Data System (ADS)

Żukowicz, Marek; Markiewicz, Michał

2016-09-01

The aim of the article is to present a mathematical definition of the object model, that is known in computer science as TreeList and to show application of this model for design evolutionary algorithm, that purpose is to generate structures based on this object. The first chapter introduces the reader to the problem of presenting data using the TreeList object. The second chapter describes the problem of testing data structures based on TreeList. The third one shows a mathematical model of the object TreeList and the parameters, used in determining the utility of structures created through this model and in evolutionary strategy, that generates these structures for testing purposes. The last chapter provides a brief summary and plans for future research related to the algorithm presented in the article.

Multi Agent Reward Analysis for Learning in Noisy Domains

NASA Technical Reports Server (NTRS)

Tumer, Kagan; Agogino, Adrian K.

2005-01-01

In many multi agent learning problems, it is difficult to determine, a priori, the agent reward structure that will lead to good performance. This problem is particularly pronounced in continuous, noisy domains ill-suited to simple table backup schemes commonly used in TD(lambda)/Q-learning. In this paper, we present a new reward evaluation method that allows the tradeoff between coordination among the agents and the difficulty of the learning problem each agent faces to be visualized. This method is independent of the learning algorithm and is only a function of the problem domain and the agents reward structure. We then use this reward efficiency visualization method to determine an effective reward without performing extensive simulations. We test this method in both a static and a dynamic multi-rover learning domain where the agents have continuous state spaces and where their actions are noisy (e.g., the agents movement decisions are not always carried out properly). Our results show that in the more difficult dynamic domain, the reward efficiency visualization method provides a two order of magnitude speedup in selecting a good reward. Most importantly it allows one to quickly create and verify rewards tailored to the observational limitations of the domain.

A protein-dependent side-chain rotamer library.

PubMed

Bhuyan, Md Shariful Islam; Gao, Xin

2011-12-14

Protein side-chain packing problem has remained one of the key open problems in bioinformatics. The three main components of protein side-chain prediction methods are a rotamer library, an energy function and a search algorithm. Rotamer libraries summarize the existing knowledge of the experimentally determined structures quantitatively. Depending on how much contextual information is encoded, there are backbone-independent rotamer libraries and backbone-dependent rotamer libraries. Backbone-independent libraries only encode sequential information, whereas backbone-dependent libraries encode both sequential and locally structural information. However, side-chain conformations are determined by spatially local information, rather than sequentially local information. Since in the side-chain prediction problem, the backbone structure is given, spatially local information should ideally be encoded into the rotamer libraries. In this paper, we propose a new type of backbone-dependent rotamer library, which encodes structural information of all the spatially neighboring residues. We call it protein-dependent rotamer libraries. Given any rotamer library and a protein backbone structure, we first model the protein structure as a Markov random field. Then the marginal distributions are estimated by the inference algorithms, without doing global optimization or search. The rotamers from the given library are then re-ranked and associated with the updated probabilities. Experimental results demonstrate that the proposed protein-dependent libraries significantly outperform the widely used backbone-dependent libraries in terms of the side-chain prediction accuracy and the rotamer ranking ability. Furthermore, without global optimization/search, the side-chain prediction power of the protein-dependent library is still comparable to the global-search-based side-chain prediction methods.

Determination of the Basin Structure Beneath European Side of Istanbul

NASA Astrophysics Data System (ADS)

Karabulut, Savas; Cengiz Cinku, Mulla; Thomas, Michael; Lamontagne, Maurice

2016-04-01

Istanbul (near North Anatolian Fault Zone:NAFZ, Turkey) is located in northern part of Sea of Marmara, an area that has been influenced by possible Marmara Earthquakes. The general geology of Istanbul divided into two stratigraphic unit such as sedimentary (from Oligocene to Quaternary Deposits) and bedrock (Paleozoic and Eocene). The bedrock units consists of sand stone, clay stone to Paleozoic age and limestone to Eocene age and sedimentary unit consist of sand, clay, mil and gravel from Oligocene to Quaternary age. Earthquake disaster mitigation studies divided into two important phases, too. Firstly, earthquake, soil and engineering structure problems identify for investigation area, later on strategic emergency plan can prepare for these problems. Soil amplification play important role the disaster mitigation and the site effect analysis and basin structure is also a key parameter for determining of site effect. Some geophysical, geological and geotechnical measurements are requeired to defined this relationship. Istanbul Megacity has been waiting possible Marmara Earthquake and their related results. In order to defined to possible damage potential related to site effect, gravity measurements carried out for determining to geological structure, basin geometry and faults in Istanbul. Gravity data were collected at 640 sites by using a Scientrex CG-5 Autogravity meter Standard corrections applied to the gravity data include those for instrumental drift, Earth tides and latitude, and the free-air and Bouguer corrections. The corrected gravity data were imported into a Geosoft database to create a grid and map of the Bouguer gravity anomaly (grid cell size of 200 m). As a previously results, we determined some lineminants, faults and basins beneath Istanbul City. Especially, orientation of faults were NW-SE direction and some basin structures determined on between Buyukcekmece and Kucukcekmece Lake.

Structural Damage Detection Using Changes in Natural Frequencies: Theory and Applications

NASA Astrophysics Data System (ADS)

He, K.; Zhu, W. D.

2011-07-01

A vibration-based method that uses changes in natural frequencies of a structure to detect damage has advantages over conventional nondestructive tests in detecting various types of damage, including loosening of bolted joints, using minimum measurement data. Two major challenges associated with applications of the vibration-based damage detection method to engineering structures are addressed: accurate modeling of structures and the development of a robust inverse algorithm to detect damage, which are defined as the forward and inverse problems, respectively. To resolve the forward problem, new physics-based finite element modeling techniques are developed for fillets in thin-walled beams and for bolted joints, so that complex structures can be accurately modeled with a reasonable model size. To resolve the inverse problem, a logistical function transformation is introduced to convert the constrained optimization problem to an unconstrained one, and a robust iterative algorithm using a trust-region method, called the Levenberg-Marquardt method, is developed to accurately detect the locations and extent of damage. The new methodology can ensure global convergence of the iterative algorithm in solving under-determined system equations and deal with damage detection problems with relatively large modeling error and measurement noise. The vibration-based damage detection method is applied to various structures including lightning masts, a space frame structure and one of its components, and a pipeline. The exact locations and extent of damage can be detected in the numerical simulation where there is no modeling error and measurement noise. The locations and extent of damage can be successfully detected in experimental damage detection.

Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

NASA Technical Reports Server (NTRS)

Menon, Suresh

1983-01-01

A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case, lack of experimental data made direct comparison difficult. It was determined that the growth rate of the disturbance amplitude is lower for reactive case. The results indicate that the reactive flow stability is in qualitative agreement with experimental observation.

Concurrent optimization of material spatial distribution and material anisotropy repartition for two-dimensional structures

NASA Astrophysics Data System (ADS)

Ranaivomiarana, Narindra; Irisarri, François-Xavier; Bettebghor, Dimitri; Desmorat, Boris

2018-04-01

An optimization methodology to find concurrently material spatial distribution and material anisotropy repartition is proposed for orthotropic, linear and elastic two-dimensional membrane structures. The shape of the structure is parameterized by a density variable that determines the presence or absence of material. The polar method is used to parameterize a general orthotropic material by its elasticity tensor invariants by change of frame. A global structural stiffness maximization problem written as a compliance minimization problem is treated, and a volume constraint is applied. The compliance minimization can be put into a double minimization of complementary energy. An extension of the alternate directions algorithm is proposed to solve the double minimization problem. The algorithm iterates between local minimizations in each element of the structure and global minimizations. Thanks to the polar method, the local minimizations are solved explicitly providing analytical solutions. The global minimizations are performed with finite element calculations. The method is shown to be straightforward and efficient. Concurrent optimization of density and anisotropy distribution of a cantilever beam and a bridge are presented.

Linear elastic fracture mechanics primer

NASA Technical Reports Server (NTRS)

Wilson, Christopher D.

1992-01-01

This primer is intended to remove the blackbox perception of fracture mechanics computer software by structural engineers. The fundamental concepts of linear elastic fracture mechanics are presented with emphasis on the practical application of fracture mechanics to real problems. Numerous rules of thumb are provided. Recommended texts for additional reading, and a discussion of the significance of fracture mechanics in structural design are given. Griffith's criterion for crack extension, Irwin's elastic stress field near the crack tip, and the influence of small-scale plasticity are discussed. Common stress intensities factor solutions and methods for determining them are included. Fracture toughness and subcritical crack growth are discussed. The application of fracture mechanics to damage tolerance and fracture control is discussed. Several example problems and a practice set of problems are given.

The rock components and structures of Archean greenstone belts: An overview

NASA Technical Reports Server (NTRS)

Lowe, D. R.; Byerly, G. R.

1986-01-01

Knowledge of the character and evolution of the Earth's early crust is derived from the studies of the rocks and structures in Archean greenstone belts. Ability to resolve the petrologic, sedimentological and structural histories of greenstone belts, however, hinges first on an ability to apply the concepts and procedures of classical stratigraphy. Unfortunately, early Precambrian greenstone terrains present particular problems to stratigraphic analysis. Many current controversies of greenstone belt petrogenesis, sedimentology, tectonics and evolution arise more from an inability to develop a clear stratigraphic picture of the belts than from ambiguities in interpretation. Four particular stratigraphic problems that afflict studies of Archean greenstone belts are considered: determination of facing directions, correlation of lithologic units, identification of primary lithologies and discrimination of stratigraphic versus structural contacts.

Determining the size dependence of structural properties of clusters

NASA Astrophysics Data System (ADS)

Dong, Yi; Springborg, Michael

2012-12-01

Problems related to the determination of the structure of the global total-energy minimum for clusters are discussed through three examples. For isolated gold clusters it is shown that low-symmetry structures result due to covalent bonding. Subsequently, SiNGeN and (HAlO)N clusters are treated for which the occurrence of so called homotops leads to additional computational complexity. For the former it is found that the structures are not directly related to those of the pure monatomic clusters, and for the latter the results are shown to be in agreement with available experimental information on nanostructured HAlO. In order to illustrate and analyze the results, various descriptors are introduced and applied.

NIAS-Server: Neighbors Influence of Amino acids and Secondary Structures in Proteins.

PubMed

Borguesan, Bruno; Inostroza-Ponta, Mario; Dorn, Márcio

2017-03-01

The exponential growth in the number of experimentally determined three-dimensional protein structures provide a new and relevant knowledge about the conformation of amino acids in proteins. Only a few of probability densities of amino acids are publicly available for use in structure validation and prediction methods. NIAS (Neighbors Influence of Amino acids and Secondary structures) is a web-based tool used to extract information about conformational preferences of amino acid residues and secondary structures in experimental-determined protein templates. This information is useful, for example, to characterize folds and local motifs in proteins, molecular folding, and can help the solution of complex problems such as protein structure prediction, protein design, among others. The NIAS-Server and supplementary data are available at http://sbcb.inf.ufrgs.br/nias .

Variable Neural Adaptive Robust Control: A Switched System Approach

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

Lian, Jianming; Hu, Jianghai; Zak, Stanislaw H.

2015-05-01

Variable neural adaptive robust control strategies are proposed for the output tracking control of a class of multi-input multi-output uncertain systems. The controllers incorporate a variable-structure radial basis function (RBF) network as the self-organizing approximator for unknown system dynamics. The variable-structure RBF network solves the problem of structure determination associated with fixed-structure RBF networks. It can determine the network structure on-line dynamically by adding or removing radial basis functions according to the tracking performance. The structure variation is taken into account in the stability analysis of the closed-loop system using a switched system approach with the aid of the piecewisemore » quadratic Lyapunov function. The performance of the proposed variable neural adaptive robust controllers is illustrated with simulations.« less

Robustness and Actuator Bandwidth of MRP-Based Sliding Mode Control for Spacecraft Attitude Control Problems

NASA Astrophysics Data System (ADS)

Keum, Jung-Hoon; Ra, Sung-Woong

2009-12-01

Nonlinear sliding surface design in variable structure systems for spacecraft attitude control problems is studied. A robustness analysis is performed for regular form of system, and calculation of actuator bandwidth is presented by reviewing sliding surface dynamics. To achieve non-singular attitude description and minimal parameterization, spacecraft attitude control problems are considered based on modified Rodrigues parameters (MRP). It is shown that the derived controller ensures the sliding motion in pre-determined region irrespective of unmodeled effects and disturbances.

Solving the Secondary Structure Matching Problem in Cryo-EM De Novo Modeling Using a Constrained K-Shortest Path Graph Algorithm.

PubMed

Al Nasr, Kamal; Ranjan, Desh; Zubair, Mohammad; Chen, Lin; He, Jing

2014-01-01

Electron cryomicroscopy is becoming a major experimental technique in solving the structures of large molecular assemblies. More and more three-dimensional images have been obtained at the medium resolutions between 5 and 10 Å. At this resolution range, major α-helices can be detected as cylindrical sticks and β-sheets can be detected as plain-like regions. A critical question in de novo modeling from cryo-EM images is to determine the match between the detected secondary structures from the image and those on the protein sequence. We formulate this matching problem into a constrained graph problem and present an O(Δ(2)N(2)2(N)) algorithm to this NP-Hard problem. The algorithm incorporates the dynamic programming approach into a constrained K-shortest path algorithm. Our method, DP-TOSS, has been tested using α-proteins with maximum 33 helices and α-β proteins up to five helices and 12 β-strands. The correct match was ranked within the top 35 for 19 of the 20 α-proteins and all nine α-β proteins tested. The results demonstrate that DP-TOSS improves accuracy, time and memory space in deriving the topologies of the secondary structure elements for proteins with a large number of secondary structures and a complex skeleton.

Effects of the Problem-Posing Approach on Students' Problem Solving Skills and Metacognitive Awareness in Science Education

NASA Astrophysics Data System (ADS)

Akben, Nimet

2018-05-01

The interrelationship between mathematics and science education has frequently been emphasized, and common goals and approaches have often been adopted between disciplines. Improving students' problem-solving skills in mathematics and science education has always been given special attention; however, the problem-posing approach which plays a key role in mathematics education has not been commonly utilized in science education. As a result, the purpose of this study was to better determine the effects of the problem-posing approach on students' problem-solving skills and metacognitive awareness in science education. This was a quasi-experimental based study conducted with 61 chemistry and 40 physics students; a problem-solving inventory and a metacognitive awareness inventory were administered to participants both as a pre-test and a post-test. During the 2017-2018 academic year, problem-solving activities based on the problem-posing approach were performed with the participating students during their senior year in various university chemistry and physics departments throughout the Republic of Turkey. The study results suggested that structured, semi-structured, and free problem-posing activities improve students' problem-solving skills and metacognitive awareness. These findings indicated not only the usefulness of integrating problem-posing activities into science education programs but also the need for further research into this question.

Study of modal coupling procedures for the shuttle: A matrix method for damping synthesis

NASA Technical Reports Server (NTRS)

Hasselman, T. K.

1972-01-01

The damping method was applied successfully to real structures as well as analytical models. It depends on the ability to determine an appropriate modal damping matrix for each substructure. In the past, modal damping matrices were assumed diagonal for lack of being able to determine the coupling terms which are significant in the general case of nonproportional damping. This problem was overcome by formulating the damped equations of motion as a linear perturbation of the undamped equations for light structural damping. Damped modes are defined as complex vectors derived from the complex frequency response vectors of each substructure and are obtained directly from sinusoidal vibration tests. The damped modes are used to compute first order approximations to the modal damping matrices. The perturbation approach avoids ever having to solve a complex eigenvalue problem.

Development of a Probabilistic Component Mode Synthesis Method for the Analysis of Non-Deterministic Substructures

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1995-01-01

Standard methods of structural dynamic analysis assume that the structural characteristics are deterministic. Recognizing that these characteristics are actually statistical in nature, researchers have recently developed a variety of methods that use this information to determine probabilities of a desired response characteristic, such as natural frequency, without using expensive Monte Carlo simulations. One of the problems in these methods is correctly identifying the statistical properties of primitive variables such as geometry, stiffness, and mass. This paper presents a method where the measured dynamic properties of substructures are used instead as the random variables. The residual flexibility method of component mode synthesis is combined with the probabilistic methods to determine the cumulative distribution function of the system eigenvalues. A simple cantilever beam test problem is presented that illustrates the theory.

Fine-Scale Structure Design for 3D Printing

NASA Astrophysics Data System (ADS)

Panetta, Francis Julian

Modern additive fabrication technologies can manufacture shapes whose geometric complexities far exceed what existing computational design tools can analyze or optimize. At the same time, falling costs have placed these fabrication technologies within the average consumer's reach. Especially for inexpert designers, new software tools are needed to take full advantage of 3D printing technology. This thesis develops such tools and demonstrates the exciting possibilities enabled by fine-tuning objects at the small scales achievable by 3D printing. The thesis applies two high-level ideas to invent these tools: two-scale design and worst-case analysis. The two-scale design approach addresses the problem that accurately simulating--let alone optimizing--the full-resolution geometry sent to the printer requires orders of magnitude more computational power than currently available. However, we can decompose the design problem into a small-scale problem (designing tileable structures achieving a particular deformation behavior) and a macro-scale problem (deciding where to place these structures in the larger object). This separation is particularly effective, since structures for every useful behavior can be designed once, stored in a database, then reused for many different macroscale problems. Worst-case analysis refers to determining how likely an object is to fracture by studying the worst possible scenario: the forces most efficiently breaking it. This analysis is needed when the designer has insufficient knowledge or experience to predict what forces an object will undergo, or when the design is intended for use in many different scenarios unknown a priori. The thesis begins by summarizing the physics and mathematics necessary to rigorously approach these design and analysis problems. Specifically, the second chapter introduces linear elasticity and periodic homogenization. The third chapter presents a pipeline to design microstructures achieving a wide range of effective isotropic elastic material properties on a single-material 3D printer. It also proposes a macroscale optimization algorithm placing these microstructures to achieve deformation goals under prescribed loads. The thesis then turns to worst-case analysis, first considering the macroscale problem: given a user's design, the fourth chapter aims to determine the distribution of pressures over the surface creating the highest stress at any point in the shape. Solving this problem exactly is difficult, so we introduce two heuristics: one to focus our efforts on only regions likely to concentrate stresses and another converting the pressure optimization into an efficient linear program. Finally, the fifth chapter introduces worst-case analysis at the microscopic scale, leveraging the insight that the structure of periodic homogenization enables us to solve the problem exactly and efficiently. Then we use this worst-case analysis to guide a shape optimization, designing structures with prescribed deformation behavior that experience minimal stresses in generic use.

Dynamic analysis of an inflatable dam subjected to a flood

NASA Astrophysics Data System (ADS)

Lowery, K.; Liapis, S.

A dynamic simulation of the response of an inflatable dam subjected to a flood is carried out to determine the survivability envelope of the dam where it can operate without rupture, or overflow. The free-surface flow problem is solved in two dimensions using a fully nonlinear mixed Eulerian-Lagrangian formulation. The dam is modeled as an elastic shell inflated with air and simply supported from two points. The finite element method is employed to determine the dynamic response of the structure using ABAQUS with a shell element. The problem is solved in the time domain which allows the prediction of a number of transient phenomena such as the generation of upstream advancing waves, the dynamic structural response and structural failure. Failure takes place when the dam either ruptures or overflows. Stresses in the dam material were monitored to determine when rupture occurs. An iterative study was performed to find the serviceability envelope of the dam in terms of the internal pressure and the flood Froude number for two flood depths. It was found that existing inflatable dams are quite effective in suppressing floods for a relatively wide range of flood velocities.

Diffraction of a plane wave on two-dimensional conductive structures and a surface wave

NASA Astrophysics Data System (ADS)

Davidovich, Mikhael V.

2018-04-01

We consider the structures type of two-dimensional electron gas in the form of a thin conductive, in particular, graphene films described by tensor conductivity, which are isolated or located on the dielectric layers. The dispersion equation for hybrid modes, as well as scattering parameters. We show that free wave (eigenwaves) problem follow from the problem of diffraction when linking the amplitude of the current of the linear equations are unsolvable, i.e., the determinant of this system is zero. As a particular case the dispersion equation follow from the conditions of matching (with zero reflection coefficient).

Studies of planetary upper atmospheres through occultations

NASA Technical Reports Server (NTRS)

Elliot, J. L.

1982-01-01

The structure, composition, dynamics and energy balance of planetary upper atmospheres through interpretation of steller occultation data from Uranus is discussed. The wave-optical problem of modelling strong scintillation for arbitrary turbulent atmospheres is studied, as well as influence of turbulence. It was concluded that quasi-global features of atmospheric structure are accurately determined by numerical inversion. Horizontally inhomogeneous structures are filtered out and have little effect on temperature profiles.

LTA structures and materials technology

NASA Technical Reports Server (NTRS)

Mayer, N. J.

1975-01-01

The state-of-the-art concerning structures and materials technology is reviewed. It is shown that many present materials developments resulting from balloon and aircraft research programs can be applied to new concepts in LTA vehicles. Both buoyant and semi-buoyant vehicles utilize similar approaches to solving structural problems and could involve pressurized non-rigid and unpressurized rigid structures. System designs common to both and vital to structural integrity include much of the past technology as well. Further research is needed in determination of structural loads, especially in future design concepts.

ABILITIES OF FIRST-GRADE PUPILS TO LEARN MATERIALS IN TERMS OF ALGEBRAIC STRUCTURES BY TEACHING MACHINES.

ERIC Educational Resources Information Center

CRAWFORD, ROBERT C.; KEISLAR, EVAN R.

THE MAJOR PROBLEM OF THIS INVESTIGATION WAS TO DETERMINE TO WHAT EXTENT FIRST-GRADE PUPILS ARE CAPABLE OF LEARNING ALGEBRAIC STRUCTURES THROUGH PROGRAMED INSTRUCTION. IN THE EXPERIMENT APPROXIMATELY 130 FIRST-GRADERS WERE INSTRUCTED THROUGH AUDIOVISUAL TEACHING MACHINES FOR APPROXIMATELY 15 WEEKS. AT THE END OF THE PROGRAM, THE CHILDREN WERE…

Problems of the high-cycle fatigue of the materials intended for the parts of modern gas-turbine engines and power plants

NASA Astrophysics Data System (ADS)

Petukhov, A. N.

2010-10-01

The problems related to the determination of the life of the structural materials applied for important parts in gas-turbine engines and power plants from the results of high-cycle fatigue tests are discussed. Methods for increasing the reliability of the high-cycle fatigue characteristics and the factors affecting the operational reliability are considered.

Preface to a Theory of Human Symbolic Interchange: An Essay on Communication. Curriculum Praxis, Occasional Paper Series No. 15.

ERIC Educational Resources Information Center

Martin, R. Glenn

The subjectivistic problem for knowledge and communication associated with philosopher Immanuel Kant is that everything we know may in fact be determined by the structure of our own minds and not by the actual nature of external reality. Ernst Cassirer's contribution to the solution of this problem is the notion of "symbols" produced by…

Relationship of Non-Structural Forms of Social Interaction with Problems of Social and Psychological Adaptation of Students Prone to Chemical Addictions

ERIC Educational Resources Information Center

Gilemkhanova, Elvira N.

2016-01-01

The changes in contemporary social and cultural environment determine the necessity to increase the efficiency of adaptive mechanisms, especially for those categories of people who are subject to social risks. One of those categories is students prone to chemical addictions. To study the relationship of forms of social interaction with problems of…

Using model order tests to determine sensory inputs in a motion study

NASA Technical Reports Server (NTRS)

Repperger, D. W.; Junker, A. M.

1977-01-01

In the study of motion effects on tracking performance, a problem of interest is the determination of what sensory inputs a human uses in controlling his tracking task. In the approach presented here a simple canonical model (FID or a proportional, integral, derivative structure) is used to model the human's input-output time series. A study of significant changes in reduction of the output error loss functional is conducted as different permutations of parameters are considered. Since this canonical model includes parameters which are related to inputs to the human (such as the error signal, its derivatives and integration), the study of model order is equivalent to the study of which sensory inputs are being used by the tracker. The parameters are obtained which have the greatest effect on reducing the loss function significantly. In this manner the identification procedure converts the problem of testing for model order into the problem of determining sensory inputs.

Sequence-specific bias correction for RNA-seq data using recurrent neural networks.

PubMed

Zhang, Yao-Zhong; Yamaguchi, Rui; Imoto, Seiya; Miyano, Satoru

2017-01-25

The recent success of deep learning techniques in machine learning and artificial intelligence has stimulated a great deal of interest among bioinformaticians, who now wish to bring the power of deep learning to bare on a host of bioinformatical problems. Deep learning is ideally suited for biological problems that require automatic or hierarchical feature representation for biological data when prior knowledge is limited. In this work, we address the sequence-specific bias correction problem for RNA-seq data redusing Recurrent Neural Networks (RNNs) to model nucleotide sequences without pre-determining sequence structures. The sequence-specific bias of a read is then calculated based on the sequence probabilities estimated by RNNs, and used in the estimation of gene abundance. We explore the application of two popular RNN recurrent units for this task and demonstrate that RNN-based approaches provide a flexible way to model nucleotide sequences without knowledge of predetermined sequence structures. Our experiments show that training a RNN-based nucleotide sequence model is efficient and RNN-based bias correction methods compare well with the-state-of-the-art sequence-specific bias correction method on the commonly used MAQC-III data set. RNNs provides an alternative and flexible way to calculate sequence-specific bias without explicitly pre-determining sequence structures.

Structural identifiability of cyclic graphical models of biological networks with latent variables.

PubMed

Wang, Yulin; Lu, Na; Miao, Hongyu

2016-06-13

Graphical models have long been used to describe biological networks for a variety of important tasks such as the determination of key biological parameters, and the structure of graphical model ultimately determines whether such unknown parameters can be unambiguously obtained from experimental observations (i.e., the identifiability problem). Limited by resources or technical capacities, complex biological networks are usually partially observed in experiment, which thus introduces latent variables into the corresponding graphical models. A number of previous studies have tackled the parameter identifiability problem for graphical models such as linear structural equation models (SEMs) with or without latent variables. However, the limited resolution and efficiency of existing approaches necessarily calls for further development of novel structural identifiability analysis algorithms. An efficient structural identifiability analysis algorithm is developed in this study for a broad range of network structures. The proposed method adopts the Wright's path coefficient method to generate identifiability equations in forms of symbolic polynomials, and then converts these symbolic equations to binary matrices (called identifiability matrix). Several matrix operations are introduced for identifiability matrix reduction with system equivalency maintained. Based on the reduced identifiability matrices, the structural identifiability of each parameter is determined. A number of benchmark models are used to verify the validity of the proposed approach. Finally, the network module for influenza A virus replication is employed as a real example to illustrate the application of the proposed approach in practice. The proposed approach can deal with cyclic networks with latent variables. The key advantage is that it intentionally avoids symbolic computation and is thus highly efficient. Also, this method is capable of determining the identifiability of each single parameter and is thus of higher resolution in comparison with many existing approaches. Overall, this study provides a basis for systematic examination and refinement of graphical models of biological networks from the identifiability point of view, and it has a significant potential to be extended to more complex network structures or high-dimensional systems.

Urban Planning Problems of Agglomerations

NASA Astrophysics Data System (ADS)

Olenkov, V. D.; Tazeev, N. T.

2017-11-01

The article explores the state of the air basin of the Chelyabinsk agglomeration and gives the examples of solutions for the pollution problems from the point of view of city planning. The main features and structure of the modern urban agglomerations are considered, the methods for determining their boundaries are studied and the main problems are identified. The study of the boundaries and territorial structure of the Chelyabinsk urban agglomeration is conducted, and a general description of the territory is given. The data on the change in the volume of pollutant emissions into the atmosphere and the index of atmospheric pollution for the period 2003-2015 are given basing on the annual comprehensive reports regarding the state of the environment. The review of the world experience of city-planning actions on the decision of ecological problems is carried out. The most suitable ways for the ecological problems solving in the Chelyabinsk agglomeration are considered. The authors give recommendations for the ecological situation improving in the territory of the Chelyabinsk agglomeration.

Comparative Evaluation of Different Optimization Algorithms for Structural Design Applications

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Coroneos, Rula M.; Guptill, James D.; Hopkins, Dale A.

1996-01-01

Non-linear programming algorithms play an important role in structural design optimization. Fortunately, several algorithms with computer codes are available. At NASA Lewis Research Centre, a project was initiated to assess the performance of eight different optimizers through the development of a computer code CometBoards. This paper summarizes the conclusions of that research. CometBoards was employed to solve sets of small, medium and large structural problems, using the eight different optimizers on a Cray-YMP8E/8128 computer. The reliability and efficiency of the optimizers were determined from the performance of these problems. For small problems, the performance of most of the optimizers could be considered adequate. For large problems, however, three optimizers (two sequential quadratic programming routines, DNCONG of IMSL and SQP of IDESIGN, along with Sequential Unconstrained Minimizations Technique SUMT) outperformed others. At optimum, most optimizers captured an identical number of active displacement and frequency constraints but the number of active stress constraints differed among the optimizers. This discrepancy can be attributed to singularity conditions in the optimization and the alleviation of this discrepancy can improve the efficiency of optimizers.

Performance Trend of Different Algorithms for Structural Design Optimization

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Coroneos, Rula M.; Guptill, James D.; Hopkins, Dale A.

1996-01-01

Nonlinear programming algorithms play an important role in structural design optimization. Fortunately, several algorithms with computer codes are available. At NASA Lewis Research Center, a project was initiated to assess performance of different optimizers through the development of a computer code CometBoards. This paper summarizes the conclusions of that research. CometBoards was employed to solve sets of small, medium and large structural problems, using different optimizers on a Cray-YMP8E/8128 computer. The reliability and efficiency of the optimizers were determined from the performance of these problems. For small problems, the performance of most of the optimizers could be considered adequate. For large problems however, three optimizers (two sequential quadratic programming routines, DNCONG of IMSL and SQP of IDESIGN, along with the sequential unconstrained minimizations technique SUMT) outperformed others. At optimum, most optimizers captured an identical number of active displacement and frequency constraints but the number of active stress constraints differed among the optimizers. This discrepancy can be attributed to singularity conditions in the optimization and the alleviation of this discrepancy can improve the efficiency of optimizers.

Structural system reliability calculation using a probabilistic fault tree analysis method

NASA Technical Reports Server (NTRS)

Torng, T. Y.; Wu, Y.-T.; Millwater, H. R.

1992-01-01

The development of a new probabilistic fault tree analysis (PFTA) method for calculating structural system reliability is summarized. The proposed PFTA procedure includes: developing a fault tree to represent the complex structural system, constructing an approximation function for each bottom event, determining a dominant sampling sequence for all bottom events, and calculating the system reliability using an adaptive importance sampling method. PFTA is suitable for complicated structural problems that require computer-intensive computer calculations. A computer program has been developed to implement the PFTA.

Constraints in Genetic Programming

NASA Technical Reports Server (NTRS)

Janikow, Cezary Z.

1996-01-01

Genetic programming refers to a class of genetic algorithms utilizing generic representation in the form of program trees. For a particular application, one needs to provide the set of functions, whose compositions determine the space of program structures being evolved, and the set of terminals, which determine the space of specific instances of those programs. The algorithm searches the space for the best program for a given problem, applying evolutionary mechanisms borrowed from nature. Genetic algorithms have shown great capabilities in approximately solving optimization problems which could not be approximated or solved with other methods. Genetic programming extends their capabilities to deal with a broader variety of problems. However, it also extends the size of the search space, which often becomes too large to be effectively searched even by evolutionary methods. Therefore, our objective is to utilize problem constraints, if such can be identified, to restrict this space. In this publication, we propose a generic constraint specification language, powerful enough for a broad class of problem constraints. This language has two elements -- one reduces only the number of program instances, the other reduces both the space of program structures as well as their instances. With this language, we define the minimal set of complete constraints, and a set of operators guaranteeing offspring validity from valid parents. We also show that these operators are not less efficient than the standard genetic programming operators if one preprocesses the constraints - the necessary mechanisms are identified.

Asymmetric scoring functions for proteins

NASA Astrophysics Data System (ADS)

Lezon, Timothy; Holter, Neal; Maritan, Amos; Banavar, Jayanth

2003-03-01

The protein folding problem entails the prediction of the native state structure of a protein given the sequence of amino acids. In a coarse-grained description of a protein, an important ingredient for attempting this task is the determination of the effective energies of interaction between amino acids. We will discuss a simple approach for determining such interaction potentials from a training set of protein sequences and their experimentally determined native state structures. The key new ingredient in our study is the incorporation of the lack of symmetry in the effective interactions between amino acids. Our results, obtained using a set of 513 proteins, and their implications will be discussed.

Report of the panel on earth structure and dynamics, section 6

NASA Technical Reports Server (NTRS)

Dziewonski, Adam M.; Mcadoo, David C.; Oconnell, Richard J.; Smylie, Douglas E.; Yoder, Charles F.

1991-01-01

The panel identified problems related to the dynamics of the core and mantle that should be addressed by NASA programs. They include investigating the geodynamo based on observations of the Earth's magnetic field, determining the rheology of the mantle from geodetic observations of post-glacial vertical motions and changes in the gravity field, and determining the coupling between plate motions and mantle flow from geodetic observations of plate deformation. Also emphasized is the importance of support for interdisciplinary research to combine various data sets with models which couple rheology, structure and dynamics.

Low thrust spacecraft transfers optimization method with the stepwise control structure in the Earth-Moon system in terms of the L1-L2 transfer

NASA Astrophysics Data System (ADS)

Fain, M. K.; Starinova, O. L.

2016-04-01

The paper outlines the method for determination of the locally optimal stepwise control structure in the problem of the low thrust spacecraft transfer optimization in the Earth-Moon system, including the L1-L2 transfer. The total flight time as an optimization criterion is considered. The optimal control programs were obtained by using the Pontryagin's maximum principle. As a result of optimization, optimal control programs, corresponding trajectories, and minimal total flight times were determined.

A Rational Approach to Determine Minimum Strength Thresholds in Novel Structural Materials

NASA Technical Reports Server (NTRS)

Schur, Willi W.; Bilen, Canan; Sterling, Jerry

2003-01-01

Design of safe and survivable structures requires the availability of guaranteed minimum strength thresholds for structural materials to enable a meaningful comparison of strength requirement and available strength. This paper develops a procedure for determining such a threshold with a desired degree of confidence, for structural materials with none or minimal industrial experience. The problem arose in attempting to use a new, highly weight-efficient structural load tendon material to achieve a lightweight super-pressure balloon. The developed procedure applies to lineal (one dimensional) structural elements. One important aspect of the formulation is that it extrapolates to expected probability distributions for long length specimen samples from some hypothesized probability distribution that has been obtained from a shorter length specimen sample. The use of the developed procedure is illustrated using both real and simulated data.

Solution of the Eshelby problem in gradient elasticity for multilayer spherical inclusions

NASA Astrophysics Data System (ADS)

Volkov-Bogorodskii, D. B.; Lurie, S. A.

2016-03-01

We consider gradient models of elasticity which permit taking into account the characteristic scale parameters of the material. We prove the Papkovich-Neuber theorems, which determine the general form of the gradient solution and the structure of scale effects. We derive the Eshelby integral formula for the gradient moduli of elasticity, which plays the role of the closing equation in the self-consistent three-phase method. In the gradient theory of deformations, we consider the fundamental Eshelby-Christensen problem of determining the effective elastic properties of dispersed composites with spherical inclusions; the exact solution of this problem for classical models was obtained in 1976. This paper is the first to present the exact analytical solution of the Eshelby-Christensen problem for the gradient theory, which permits estimating the influence of scale effects on the stress state and the effective properties of the dispersed composites under study.We also analyze the influence of scale factors.

The Moderating Effect of Marijuana Use on the Relationship between Delinquent Behavior and HIV Risk among Adolescents in Foster Care

PubMed Central

Auslander, Wendy F.; Thompson, Ronald G.; Gerke, Donald R.

2014-01-01

Adolescents in foster care experience mental health and substance use problems that place them at risk for HIV, yet the exact nature of the relationship remains unclear. This study examined the co-occurring influences of mental health problems and substance use on HIV risk and determined whether substance use moderated the effect of mental health problems on HIV risk behaviors among adolescents in foster care. Regression analyses of cross-sectional data collected through structured interviews with 334 adolescents, aged 15–18 years, determined which mental health problems and substances increased HIV risk behaviors. Adolescents with delinquency and anxiety/depression engaged in significantly more HIV risk behaviors than their counterparts, controlling for race, gender, and type of childhood abuse. Further, any marijuana use significantly moderated the effects of delinquent behaviors on HIV risk, differentially increasing HIV risk among those who engaged in delinquent behaviors. PMID:25214818

CCP4i2: the new graphical user interface to the CCP4 program suite.

PubMed

Potterton, Liz; Agirre, Jon; Ballard, Charles; Cowtan, Kevin; Dodson, Eleanor; Evans, Phil R; Jenkins, Huw T; Keegan, Ronan; Krissinel, Eugene; Stevenson, Kyle; Lebedev, Andrey; McNicholas, Stuart J; Nicholls, Robert A; Noble, Martin; Pannu, Navraj S; Roth, Christian; Sheldrick, George; Skubak, Pavol; Turkenburg, Johan; Uski, Ville; von Delft, Frank; Waterman, David; Wilson, Keith; Winn, Martyn; Wojdyr, Marcin

2018-02-01

The CCP4 (Collaborative Computational Project, Number 4) software suite for macromolecular structure determination by X-ray crystallography groups brings together many programs and libraries that, by means of well established conventions, interoperate effectively without adhering to strict design guidelines. Because of this inherent flexibility, users are often presented with diverse, even divergent, choices for solving every type of problem. Recently, CCP4 introduced CCP4i2, a modern graphical interface designed to help structural biologists to navigate the process of structure determination, with an emphasis on pipelining and the streamlined presentation of results. In addition, CCP4i2 provides a framework for writing structure-solution scripts that can be built up incrementally to create increasingly automatic procedures.

Approximation theory for LQG (Linear-Quadratic-Gaussian) optimal control of flexible structures

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Adamian, A.

1988-01-01

An approximation theory is presented for the LQG (Linear-Quadratic-Gaussian) optimal control problem for flexible structures whose distributed models have bounded input and output operators. The main purpose of the theory is to guide the design of finite dimensional compensators that approximate closely the optimal compensator. The optimal LQG problem separates into an optimal linear-quadratic regulator problem and an optimal state estimation problem. The solution of the former problem lies in the solution to an infinite dimensional Riccati operator equation. The approximation scheme approximates the infinite dimensional LQG problem with a sequence of finite dimensional LQG problems defined for a sequence of finite dimensional, usually finite element or modal, approximations of the distributed model of the structure. Two Riccati matrix equations determine the solution to each approximating problem. The finite dimensional equations for numerical approximation are developed, including formulas for converting matrix control and estimator gains to their functional representation to allow comparison of gains based on different orders of approximation. Convergence of the approximating control and estimator gains and of the corresponding finite dimensional compensators is studied. Also, convergence and stability of the closed-loop systems produced with the finite dimensional compensators are discussed. The convergence theory is based on the convergence of the solutions of the finite dimensional Riccati equations to the solutions of the infinite dimensional Riccati equations. A numerical example with a flexible beam, a rotating rigid body, and a lumped mass is given.

Fast half-sibling population reconstruction: theory and algorithms.

PubMed

Dexter, Daniel; Brown, Daniel G

2013-07-12

Kinship inference is the task of identifying genealogically related individuals. Kinship information is important for determining mating structures, notably in endangered populations. Although many solutions exist for reconstructing full sibling relationships, few exist for half-siblings. We consider the problem of determining whether a proposed half-sibling population reconstruction is valid under Mendelian inheritance assumptions. We show that this problem is NP-complete and provide a 0/1 integer program that identifies the minimum number of individuals that must be removed from a population in order for the reconstruction to become valid. We also present SibJoin, a heuristic-based clustering approach based on Mendelian genetics, which is strikingly fast. The software is available at http://github.com/ddexter/SibJoin.git+. Our SibJoin algorithm is reasonably accurate and thousands of times faster than existing algorithms. The heuristic is used to infer a half-sibling structure for a population which was, until recently, too large to evaluate.

Optical Sensor/Actuator Locations for Active Structural Acoustic Control

NASA Technical Reports Server (NTRS)

Padula, Sharon L.; Palumbo, Daniel L.; Kincaid, Rex K.

1998-01-01

Researchers at NASA Langley Research Center have extensive experience using active structural acoustic control (ASAC) for aircraft interior noise reduction. One aspect of ASAC involves the selection of optimum locations for microphone sensors and force actuators. This paper explains the importance of sensor/actuator selection, reviews optimization techniques, and summarizes experimental and numerical results. Three combinatorial optimization problems are described. Two involve the determination of the number and position of piezoelectric actuators, and the other involves the determination of the number and location of the sensors. For each case, a solution method is suggested, and typical results are examined. The first case, a simplified problem with simulated data, is used to illustrate the method. The second and third cases are more representative of the potential of the method and use measured data. The three case studies and laboratory test results establish the usefulness of the numerical methods.

A Markov Random Field Framework for Protein Side-Chain Resonance Assignment

NASA Astrophysics Data System (ADS)

Zeng, Jianyang; Zhou, Pei; Donald, Bruce Randall

Nuclear magnetic resonance (NMR) spectroscopy plays a critical role in structural genomics, and serves as a primary tool for determining protein structures, dynamics and interactions in physiologically-relevant solution conditions. The current speed of protein structure determination via NMR is limited by the lengthy time required in resonance assignment, which maps spectral peaks to specific atoms and residues in the primary sequence. Although numerous algorithms have been developed to address the backbone resonance assignment problem [68,2,10,37,14,64,1,31,60], little work has been done to automate side-chain resonance assignment [43, 48, 5]. Most previous attempts in assigning side-chain resonances depend on a set of NMR experiments that record through-bond interactions with side-chain protons for each residue. Unfortunately, these NMR experiments have low sensitivity and limited performance on large proteins, which makes it difficult to obtain enough side-chain resonance assignments. On the other hand, it is essential to obtain almost all of the side-chain resonance assignments as a prerequisite for high-resolution structure determination. To overcome this deficiency, we present a novel side-chain resonance assignment algorithm based on alternative NMR experiments measuring through-space interactions between protons in the protein, which also provide crucial distance restraints and are normally required in high-resolution structure determination. We cast the side-chain resonance assignment problem into a Markov Random Field (MRF) framework, and extend and apply combinatorial protein design algorithms to compute the optimal solution that best interprets the NMR data. Our MRF framework captures the contact map information of the protein derived from NMR spectra, and exploits the structural information available from the backbone conformations determined by orientational restraints and a set of discretized side-chain conformations (i.e., rotamers). A Hausdorff-based computation is employed in the scoring function to evaluate the probability of side-chain resonance assignments to generate the observed NMR spectra. The complexity of the assignment problem is first reduced by using a dead-end elimination (DEE) algorithm, which prunes side-chain resonance assignments that are provably not part of the optimal solution. Then an A* search algorithm is used to find a set of optimal side-chain resonance assignments that best fit the NMR data. We have tested our algorithm on NMR data for five proteins, including the FF Domain 2 of human transcription elongation factor CA150 (FF2), the B1 domain of Protein G (GB1), human ubiquitin, the ubiquitin-binding zinc finger domain of the human Y-family DNA polymerase Eta (pol η UBZ), and the human Set2-Rpb1 interacting domain (hSRI). Our algorithm assigns resonances for more than 90% of the protons in the proteins, and achieves about 80% correct side-chain resonance assignments. The final structures computed using distance restraints resulting from the set of assigned side-chain resonances have backbone RMSD 0.5 - 1.4 Å and all-heavy-atom RMSD 1.0 - 2.2 Å from the reference structures that were determined by X-ray crystallography or traditional NMR approaches. These results demonstrate that our algorithm can be successfully applied to automate side-chain resonance assignment and high-quality protein structure determination. Since our algorithm does not require any specific NMR experiments for measuring the through-bond interactions with side-chain protons, it can save a significant amount of both experimental cost and spectrometer time, and hence accelerate the NMR structure determination process.

Methods of Establishing Occupational Skill Structure of Admissions in the System of Vocational Education

ERIC Educational Resources Information Center

Kosorukov, Oleg A.; Makarov, Alexander N.; Bagisbayev, Karmak B.

2016-01-01

The purpose of the study is to determine the business need for vocational training. This article gives a detailed analysis of the problem aimed at finding optimal occupational skill structure of training, which involves all kinds of positive effects in various areas of public life--from the economy up to the spiritual sphere of human life.…

Confirming the Structure of the "Why Do You Smoke?" Questionnaire: A Community Resource for Adolescent Tobacco Cessation

ERIC Educational Resources Information Center

Smith, Dennis W.; Lee, Jay T.; Colwell, Brian; Stevens-Manser, Stacey

2008-01-01

In response to the problem of adolescent smoking and limited appropriate cessation resources, this study examined the pattern and structure of the American Lung Association, Why Do You Smoke? (WDS) to determine its appropriateness for use in youth smoking cessation programs. The WDS is used to help smokers identify primary motivations for using…

A Qualitative Approach to a Better Understanding of the Problems Underlying Drug Shortages, as Viewed from Belgian, French and the European Union’s Perspectives

PubMed Central

Prokop, Anna; Pilc, Andrzej

2015-01-01

The problem of drug shortages has been reported worldwide, gaining prominence in multiple domains and several countries in recent years. The aim of the study was to analyze, characterise and assess this problem in Belgium and France, while also adopting a wider perspective from the European Union. A qualitative methodological approach was employed, including semi-structured interviews with the representatives of respective national health authorities, pharmaceutical companies and wholesalers, as well as hospital and community pharmacists. The research was conducted in early 2014. Four themes, which were identified through the interviews, were addressed in the paper, i.e. a) defining drug shortages, b) their dynamics and perception, c) their determinants, d) the role of the European and national institutions in coping with the problem. Three groups of determinants of drug shortages were identified throughout this study: manufacturing problems, distribution and supply problems, and problems related to economic aspects. Currently, the Member States of the European Union are striving to resolve the problem very much on their own, although a far more focused and dedicated collaboration may well prove instrumental in coping with drug shortages throughout Europe more effectively. To the best of the authors’ knowledge, this is the first qualitative study to investigate the characteristics, key determinants, and the problem drivers of drug shortages, focusing on this particular group of countries, while also adopting the European Union’s perspective. PMID:25942432

The application of structural reliability techniques to plume impingement loading of the Space Station Freedom Photovoltaic Array

NASA Technical Reports Server (NTRS)

Yunis, Isam S.; Carney, Kelly S.

1993-01-01

A new aerospace application of structural reliability techniques is presented, where the applied forces depend on many probabilistic variables. This application is the plume impingement loading of the Space Station Freedom Photovoltaic Arrays. When the space shuttle berths with Space Station Freedom it must brake and maneuver towards the berthing point using its primary jets. The jet exhaust, or plume, may cause high loads on the photovoltaic arrays. The many parameters governing this problem are highly uncertain and random. An approach, using techniques from structural reliability, as opposed to the accepted deterministic methods, is presented which assesses the probability of failure of the array mast due to plume impingement loading. A Monte Carlo simulation of the berthing approach is used to determine the probability distribution of the loading. A probability distribution is also determined for the strength of the array. Structural reliability techniques are then used to assess the array mast design. These techniques are found to be superior to the standard deterministic dynamic transient analysis, for this class of problem. The results show that the probability of failure of the current array mast design, during its 15 year life, is minute.

VoroMQA: Assessment of protein structure quality using interatomic contact areas.

PubMed

Olechnovič, Kliment; Venclovas, Česlovas

2017-06-01

In the absence of experimentally determined protein structure many biological questions can be addressed using computational structural models. However, the utility of protein structural models depends on their quality. Therefore, the estimation of the quality of predicted structures is an important problem. One of the approaches to this problem is the use of knowledge-based statistical potentials. Such methods typically rely on the statistics of distances and angles of residue-residue or atom-atom interactions collected from experimentally determined structures. Here, we present VoroMQA (Voronoi tessellation-based Model Quality Assessment), a new method for the estimation of protein structure quality. Our method combines the idea of statistical potentials with the use of interatomic contact areas instead of distances. Contact areas, derived using Voronoi tessellation of protein structure, are used to describe and seamlessly integrate both explicit interactions between protein atoms and implicit interactions of protein atoms with solvent. VoroMQA produces scores at atomic, residue, and global levels, all in the fixed range from 0 to 1. The method was tested on the CASP data and compared to several other single-model quality assessment methods. VoroMQA showed strong performance in the recognition of the native structure and in the structural model selection tests, thus demonstrating the efficacy of interatomic contact areas in estimating protein structure quality. The software implementation of VoroMQA is freely available as a standalone application and as a web server at http://bioinformatics.lt/software/voromqa. Proteins 2017; 85:1131-1145. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Coping with Novelty and Human Intelligence: The Role of Counterfactual Reasoning

DTIC Science & Technology

1988-01-01

terminating relevance tests. Relevance is determined by checking whether the conceptual relation in the precue matches that in the item of the problem...found that experts tend to conceptualize dumain-related problems in abstract terms, whereas nonexperts apparently rely more on surface-level features...finally, the effects of the two surface-structural rule manipulations might for all subjects be partly due to perceptual, rather than conceptual

A Pipeline Software Architecture for NMR Spectrum Data Translation

PubMed Central

Ellis, Heidi J.C.; Weatherby, Gerard; Nowling, Ronald J.; Vyas, Jay; Fenwick, Matthew; Gryk, Michael R.

2012-01-01

The problem of formatting data so that it conforms to the required input for scientific data processing tools pervades scientific computing. The CONNecticut Joint University Research Group (CONNJUR) has developed a data translation tool based on a pipeline architecture that partially solves this problem. The CONNJUR Spectrum Translator supports data format translation for experiments that use Nuclear Magnetic Resonance to determine the structure of large protein molecules. PMID:24634607

Robust Group Sparse Beamforming for Multicast Green Cloud-RAN With Imperfect CSI

NASA Astrophysics Data System (ADS)

Shi, Yuanming; Zhang, Jun; Letaief, Khaled B.

2015-09-01

In this paper, we investigate the network power minimization problem for the multicast cloud radio access network (Cloud-RAN) with imperfect channel state information (CSI). The key observation is that network power minimization can be achieved by adaptively selecting active remote radio heads (RRHs) via controlling the group-sparsity structure of the beamforming vector. However, this yields a non-convex combinatorial optimization problem, for which we propose a three-stage robust group sparse beamforming algorithm. In the first stage, a quadratic variational formulation of the weighted mixed l1/l2-norm is proposed to induce the group-sparsity structure in the aggregated beamforming vector, which indicates those RRHs that can be switched off. A perturbed alternating optimization algorithm is then proposed to solve the resultant non-convex group-sparsity inducing optimization problem by exploiting its convex substructures. In the second stage, we propose a PhaseLift technique based algorithm to solve the feasibility problem with a given active RRH set, which helps determine the active RRHs. Finally, the semidefinite relaxation (SDR) technique is adopted to determine the robust multicast beamformers. Simulation results will demonstrate the convergence of the perturbed alternating optimization algorithm, as well as, the effectiveness of the proposed algorithm to minimize the network power consumption for multicast Cloud-RAN.

Structural Analysis of the Support System for a Large Compressor Driven by a Synchronous Electric Motor

NASA Technical Reports Server (NTRS)

Winter, J. R.

1984-01-01

For economic reasons, the steam drive for a large compressor was replaced by a large synchronous electric motor. Due to the resulting large increase in mass and because the unit was mounted on a steel frame approximately 18 feet above ground level, it was deemed necessary to determine if a steady state or transient vibration problem existed. There was a definite possibility that a resonant or near resonant condition could be encountered. The ensuing analysis, which led to some structural changes as the analysis proceeded, did not reveal any major steady state vibration problems. However, the analysis did indicate that the system would go through several natural frequencies of the support structure during start-up and shutdown. This led to the development of special start-up and shutdown procedures to minimize the possibility of exciting any of the major structural modes. A coast-down could result in significant support structure and/or equipment damage, especially under certain circumstances. In any event, dynamic field tests verified the major analytical results. The unit has now been operating for over three years without any major vibration problems.

Numerical modelling and experimental analysis of acoustic emission

NASA Astrophysics Data System (ADS)

Gerasimov, S. I.; Sych, T. V.

2018-05-01

In the present paper, the authors report on the application of non-destructive acoustic waves technologies to determine the structural integrity of engineering components. In particular, a finite element (FE) system COSMOS/M is used to investigate propagation characteristics of ultrasonic waves in linear, plane and three-dimensional structures without and with geometric concentrators. In addition, the FE results obtained are compared to the analytical and experimental ones. The study illustrates the efficient use of the FE method to model guided wave propagation problems and demonstrates the FE method’s potential to solve problems when an analytical solution is not possible due to “complicated” geometry.

Structural factoring approach for analyzing stochastic networks

NASA Technical Reports Server (NTRS)

Hayhurst, Kelly J.; Shier, Douglas R.

1991-01-01

The problem of finding the distribution of the shortest path length through a stochastic network is investigated. A general algorithm for determining the exact distribution of the shortest path length is developed based on the concept of conditional factoring, in which a directed, stochastic network is decomposed into an equivalent set of smaller, generally less complex subnetworks. Several network constructs are identified and exploited to reduce significantly the computational effort required to solve a network problem relative to complete enumeration. This algorithm can be applied to two important classes of stochastic path problems: determining the critical path distribution for acyclic networks and the exact two-terminal reliability for probabilistic networks. Computational experience with the algorithm was encouraging and allowed the exact solution of networks that have been previously analyzed only by approximation techniques.

Chromosome structures: reduction of certain problems with unequal gene content and gene paralogs to integer linear programming.

PubMed

Lyubetsky, Vassily; Gershgorin, Roman; Gorbunov, Konstantin

2017-12-06

Chromosome structure is a very limited model of the genome including the information about its chromosomes such as their linear or circular organization, the order of genes on them, and the DNA strand encoding a gene. Gene lengths, nucleotide composition, and intergenic regions are ignored. Although highly incomplete, such structure can be used in many cases, e.g., to reconstruct phylogeny and evolutionary events, to identify gene synteny, regulatory elements and promoters (considering highly conserved elements), etc. Three problems are considered; all assume unequal gene content and the presence of gene paralogs. The distance problem is to determine the minimum number of operations required to transform one chromosome structure into another and the corresponding transformation itself including the identification of paralogs in two structures. We use the DCJ model which is one of the most studied combinatorial rearrangement models. Double-, sesqui-, and single-operations as well as deletion and insertion of a chromosome region are considered in the model; the single ones comprise cut and join. In the reconstruction problem, a phylogenetic tree with chromosome structures in the leaves is given. It is necessary to assign the structures to inner nodes of the tree to minimize the sum of distances between terminal structures of each edge and to identify the mutual paralogs in a fairly large set of structures. A linear algorithm is known for the distance problem without paralogs, while the presence of paralogs makes it NP-hard. If paralogs are allowed but the insertion and deletion operations are missing (and special constraints are imposed), the reduction of the distance problem to integer linear programming is known. Apparently, the reconstruction problem is NP-hard even in the absence of paralogs. The problem of contigs is to find the optimal arrangements for each given set of contigs, which also includes the mutual identification of paralogs. We proved that these problems can be reduced to integer linear programming formulations, which allows an algorithm to redefine the problems to implement a very special case of the integer linear programming tool. The results were tested on synthetic and biological samples. Three well-known problems were reduced to a very special case of integer linear programming, which is a new method of their solutions. Integer linear programming is clearly among the main computational methods and, as generally accepted, is fast on average; in particular, computation systems specifically targeted at it are available. The challenges are to reduce the size of the corresponding integer linear programming formulations and to incorporate a more detailed biological concept in our model of the reconstruction.

The chaotic set and the cross section for chaotic scattering in three degrees of freedom

NASA Astrophysics Data System (ADS)

Jung, C.; Merlo, O.; Seligman, T. H.; Zapfe, W. P. K.

2010-10-01

This article treats chaotic scattering with three degrees of freedom, where one of them is open and the other two are closed, as a first step towards a more general understanding of chaotic scattering in higher dimensions. Despite the strong restrictions, it breaks the essential simplicity implicit in any two-dimensional time-independent scattering problem. Introducing the third degree of freedom by breaking a continuous symmetry, we first explore the topological structure of the homoclinic/heteroclinic tangle and the structures in the scattering functions. Then we work out the implications of these structures for the doubly differential cross section. The most prominent structures in the cross section are rainbow singularities. They form a fractal pattern that reflects the fractal structure of the chaotic invariant set. This allows us to determine structures in the cross section from the invariant set and, conversely, to obtain information about the topology of the invariant set from the cross section. The latter is a contribution to the inverse scattering problem for chaotic systems.

Accuracy Assessment in Determining the Location of Corners of Building Structures Using a Combination of Various Measurement Methods

NASA Astrophysics Data System (ADS)

Krzyżek, Robert; Przewięźlikowska, Anna

2017-12-01

When surveys of corners of building structures are carried out, surveyors frequently use a compilation of two surveying methods. The first one involves the determination of several corners with reference to a geodetic control using classical methods of surveying field details. The second method relates to the remaining corner points of a structure, which are determined in sequence from distance-distance intersection, using control linear values of the wall faces of the building, the so-called tie distances. This paper assesses the accuracy of coordinates of corner points of a building structure, determined using the method of distance-distance intersection, based on the corners which had previously been determined by the conducted surveys tied to a geodetic control. It should be noted, however, that such a method of surveying the corners of building structures from linear measures is based on the details of the first-order accuracy, while the regulations explicitly allow such measurement only for the details of the second- and third-order accuracy. Therefore, a question arises whether this legal provision is unfounded, or whether surveyors are acting not only against the applicable standards but also without due diligence while performing surveys? This study provides answers to the formulated problem. The main purpose of the study was to verify whether the actual method which is used in practice for surveying building structures allows to obtain the required accuracy of coordinates of the points being determined, or whether it should be strictly forbidden. The results of the conducted studies clearly demonstrate that the problem is definitely more complex. Eventually, however, it might be assumed that assessment of the accuracy in determining a location of corners of a building using a combination of two different surveying methods will meet the requirements of the regulation [MIA, 2011), subject to compliance with relevant baseline criteria, which have been presented in this study. Observance of the proposed boundary conditions would allow for frequent performance of surveys of building structures by surveyors (from tie distances), while maintaining the applicable accuracy criteria. This would allow for the inclusion of surveying documentation into the national geodetic and cartographic documentation center database pursuant to the legal bases.

Structure of p73 DNA-binding domain tetramer modulates p73 transactivation

PubMed Central

Ethayathulla, Abdul S.; Tse, Pui-Wah; Monti, Paola; Nguyen, Sonha; Inga, Alberto; Fronza, Gilberto; Viadiu, Hector

2012-01-01

The transcription factor p73 triggers developmental pathways and overlaps stress-induced p53 transcriptional pathways. How p53-family response elements determine and regulate transcriptional specificity remains an unsolved problem. In this work, we have determined the first crystal structures of p73 DNA-binding domain tetramer bound to response elements with spacers of different length. The structure and function of the adaptable tetramer are determined by the distance between two half-sites. The structures with zero and one base-pair spacers show compact p73 DNA-binding domain tetramers with large tetramerization interfaces; a two base-pair spacer results in DNA unwinding and a smaller tetramerization interface, whereas a four base-pair spacer hinders tetramerization. Functionally, p73 is more sensitive to spacer length than p53, with one base-pair spacer reducing 90% of transactivation activity and longer spacers reducing transactivation to basal levels. Our results establish the quaternary structure of the p73 DNA-binding domain required as a scaffold to promote transactivation. PMID:22474346

REVIEWS OF TOPICAL PROBLEMS: Global phase-stable radiointerferometric systems

NASA Astrophysics Data System (ADS)

Dravskikh, A. F.; Korol'kov, Dimitrii V.; Pariĭskiĭ, Yu N.; Stotskiĭ, A. A.; Finkel'steĭn, A. M.; Fridman, P. A.

1981-12-01

We discuss from a unitary standpoint the possibility of building a phase-stable interferometric system with very long baselines that operate around the clock with real-time data processing. The various problems involved in the realization of this idea are discussed: the methods of suppression of instrumental and tropospheric phase fluctuations, the methods for constructing two-dimensional images and determining the coordinates of radio sources with high angular resolution, and the problem of the optimal structure of the interferometric system. We review in detail the scientific problems from the various branches of natural science (astrophysics, cosmology, geophysics, geodynamics, astrometry, etc.) whose solution requires superhigh angular resolution.

Effect of structure in problem based learning on science teaching efficacy beliefs and science content knowledge of elementary preservice teachers

NASA Astrophysics Data System (ADS)

Sasser, Selena Kay

This study examined the effects of differing amounts of structure within the problem based learning instructional model on elementary preservice teachers' science teaching efficacy beliefs, including personal science teaching efficacy and science teaching outcome expectancy, and content knowledge acquisition. This study involved sixty (60) undergraduate elementary preservice teachers enrolled in three sections of elementary science methods classes at a large Midwestern research university. This study used a quasi-experimental nonequivalent design to collect and analyze both quantitative and qualitative data. Participants completed instruments designed to assess science teaching efficacy beliefs, science background, and demographic data. Quantitative data from pre and posttests was obtained using the science teaching efficacy belief instrument-preservice (STEBI-B) developed by Enochs and Riggs (1990) and modified by Bleicher (2004). Data collection instruments also included a demographic questionnaire, an analytic rubric, and a structured interview; both created by the researcher. Quantitative data was analyzed by conducting ANCOVA, paired samples t-test, and independent samples t-test. Qualitative data was analyzed using coding and themes. Each of the treatment groups received the same problem scenario, one group experienced a more structured PBL setting, and one group experienced a limited structure PBL setting. Research personnel administered pre and posttests to determine the elementary preservice teachers' science teaching efficacy beliefs. The results show elementary preservice teachers'science teaching efficacy beliefs can be influence by the problem based learning instructional model. This study did not find that the amount of structure in the form of core ideas to consider and resources for further research increased science teaching efficacy beliefs in this sample. Results from the science content knowledge rubric indicated that structure can increase science content knowledge in this sample. Qualitative data from the tutor, fidelity raters, and interviews indicated the participants were excited about the problem and were interested in the science content knowledge related to the problem. They also indicated they were motivated to continue informal study in the problem area. Participants indicated, during the interview, their initial frustration with the lack of knowledge gained from the tutor; however, indicated this led to more learning on their part. This study will contribute to the overall knowledge of problem based learning and its structures, science teaching efficacy beliefs of elementary preservice teachers, and to current teaching and learning practices.

A least-squares minimisation approach to depth determination from numerical second horizontal self-potential anomalies

NASA Astrophysics Data System (ADS)

Abdelrahman, El-Sayed Mohamed; Soliman, Khalid; Essa, Khalid Sayed; Abo-Ezz, Eid Ragab; El-Araby, Tarek Mohamed

2009-06-01

This paper develops a least-squares minimisation approach to determine the depth of a buried structure from numerical second horizontal derivative anomalies obtained from self-potential (SP) data using filters of successive window lengths. The method is based on using a relationship between the depth and a combination of observations at symmetric points with respect to the coordinate of the projection of the centre of the source in the plane of the measurement points with a free parameter (graticule spacing). The problem of depth determination from second derivative SP anomalies has been transformed into the problem of finding a solution to a non-linear equation of the form f(z)=0. Formulas have been derived for horizontal cylinders, spheres, and vertical cylinders. Procedures are also formulated to determine the electric dipole moment and the polarization angle. The proposed method was tested on synthetic noisy and real SP data. In the case of the synthetic data, the least-squares method determined the correct depths of the sources. In the case of practical data (SP anomalies over a sulfide ore deposit, Sariyer, Turkey and over a Malachite Mine, Jefferson County, Colorado, USA), the estimated depths of the buried structures are in good agreement with the results obtained from drilling and surface geology.

Radiation and scattering by thin-wire structures in the complex frequency domain. [electromagnetic theory for thin-wire antennas

NASA Technical Reports Server (NTRS)

Richmond, J. H.

1974-01-01

Piecewise-sinusoidal expansion functions and Galerkin's method are employed to formulate a solution for an arbitrary thin-wire configuration in a homogeneous conducting medium. The analysis is performed in the real or complex frequency domain. In antenna problems, the solution determines the current distribution, impedance, radiation efficiency, gain and far-field patterns. In scattering problems, the solution determines the absorption cross section, scattering cross section and the polarization scattering matrix. The electromagnetic theory is presented for thin wires and the forward-scattering theorem is developed for an arbitrary target in a homogeneous conducting medium.

Robust Feedback Control of Flow Induced Structural Radiation of Sound

NASA Technical Reports Server (NTRS)

Heatwole, Craig M.; Bernhard, Robert J.; Franchek, Matthew A.

1997-01-01

A significant component of the interior noise of aircraft and automobiles is a result of turbulent boundary layer excitation of the vehicular structure. In this work, active robust feedback control of the noise due to this non-predictable excitation is investigated. Both an analytical model and experimental investigations are used to determine the characteristics of the flow induced structural sound radiation problem. The problem is shown to be broadband in nature with large system uncertainties associated with the various operating conditions. Furthermore the delay associated with sound propagation is shown to restrict the use of microphone feedback. The state of the art control methodologies, IL synthesis and adaptive feedback control, are evaluated and shown to have limited success for solving this problem. A robust frequency domain controller design methodology is developed for the problem of sound radiated from turbulent flow driven plates. The control design methodology uses frequency domain sequential loop shaping techniques. System uncertainty, sound pressure level reduction performance, and actuator constraints are included in the design process. Using this design method, phase lag was added using non-minimum phase zeros such that the beneficial plant dynamics could be used. This general control approach has application to lightly damped vibration and sound radiation problems where there are high bandwidth control objectives requiring a low controller DC gain and controller order.

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

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

A Framework for Optimal Control Allocation with Structural Load Constraints

NASA Technical Reports Server (NTRS)

Frost, Susan A.; Taylor, Brian R.; Jutte, Christine V.; Burken, John J.; Trinh, Khanh V.; Bodson, Marc

2010-01-01

Conventional aircraft generally employ mixing algorithms or lookup tables to determine control surface deflections needed to achieve moments commanded by the flight control system. Control allocation is the problem of converting desired moments into control effector commands. Next generation aircraft may have many multipurpose, redundant control surfaces, adding considerable complexity to the control allocation problem. These issues can be addressed with optimal control allocation. Most optimal control allocation algorithms have control surface position and rate constraints. However, these constraints are insufficient to ensure that the aircraft's structural load limits will not be exceeded by commanded surface deflections. In this paper, a framework is proposed to enable a flight control system with optimal control allocation to incorporate real-time structural load feedback and structural load constraints. A proof of concept simulation that demonstrates the framework in a simulation of a generic transport aircraft is presented.

Minimization principles for the coupled problem of Darcy-Biot-type fluid transport in porous media linked to phase field modeling of fracture

NASA Astrophysics Data System (ADS)

Miehe, Christian; Mauthe, Steffen; Teichtmeister, Stephan

2015-09-01

This work develops new minimization and saddle point principles for the coupled problem of Darcy-Biot-type fluid transport in porous media at fracture. It shows that the quasi-static problem of elastically deforming, fluid-saturated porous media is related to a minimization principle for the evolution problem. This two-field principle determines the rate of deformation and the fluid mass flux vector. It provides a canonically compact model structure, where the stress equilibrium and the inverse Darcy's law appear as the Euler equations of a variational statement. A Legendre transformation of the dissipation potential relates the minimization principle to a characteristic three field saddle point principle, whose Euler equations determine the evolutions of deformation and fluid content as well as Darcy's law. A further geometric assumption results in modified variational principles for a simplified theory, where the fluid content is linked to the volumetric deformation. The existence of these variational principles underlines inherent symmetries of Darcy-Biot theories of porous media. This can be exploited in the numerical implementation by the construction of time- and space-discrete variational principles, which fully determine the update problems of typical time stepping schemes. Here, the proposed minimization principle for the coupled problem is advantageous with regard to a new unconstrained stable finite element design, while space discretizations of the saddle point principles are constrained by the LBB condition. The variational principles developed provide the most fundamental approach to the discretization of nonlinear fluid-structure interactions, showing symmetric systems in algebraic update procedures. They also provide an excellent starting point for extensions towards more complex problems. This is demonstrated by developing a minimization principle for a phase field description of fracture in fluid-saturated porous media. It is designed for an incorporation of alternative crack driving forces, such as a convenient criterion in terms of the effective stress. The proposed setting provides a modeling framework for the analysis of complex problems such as hydraulic fracture. This is demonstrated by a spectrum of model simulations.

Determination of Algorithm Parallelism in NP Complete Problems for Distributed Architectures

DTIC Science & Technology

1990-03-05

12 structure STACK declare OpenStack (S-.NODE **TopPtr) -+TopPtrI FlushStack(S.-NODE **TopPtr) -*TopPtr PushOnStack(S-.NODE **TopPtr, ITEM *NewltemPtr...OfCoveringSets, CoveringSets, L, Best CoverTime, Vertex, Set3end SCND ADT B.26 structure STACKI declare OpenStack (S-NODE **TopPtr) -+TopPtr FlushStack(S

Design concepts for a composite door frame system for general automotive applications

NASA Technical Reports Server (NTRS)

Tauber, J. A.

1976-01-01

Conceptual design, manufacturing process, and costs are explored to determine the feasibility of replacing present steel parts in automotive door structures with various composite materials. The problems of conforming to present anti-intrusion specifications with advanced materials are examined and discussed. Modest weight reductions, at competitive costs, were identified for the utilization of specific composite materials in automotive door structures.

Protein folding, protein structure and the origin of life: Theoretical methods and solutions of dynamical problems

NASA Technical Reports Server (NTRS)

Weaver, D. L.

1982-01-01

Theoretical methods and solutions of the dynamics of protein folding, protein aggregation, protein structure, and the origin of life are discussed. The elements of a dynamic model representing the initial stages of protein folding are presented. The calculation and experimental determination of the model parameters are discussed. The use of computer simulation for modeling protein folding is considered.

Risk prioritisation using the analytic hierarchy process

NASA Astrophysics Data System (ADS)

Sum, Rabihah Md.

2015-12-01

This study demonstrated how to use the Analytic Hierarchy Process (AHP) to prioritise risks of an insurance company. AHP is a technique to structure complex problems by arranging elements of the problems in a hierarchy, assigning numerical values to subjective judgements on the relative importance of the elements and synthesizing the judgements to determine which elements have the highest priority. The study is motivated by wide application of AHP as a prioritisation technique in complex problems. It aims to show AHP is able to minimise some limitations of risk assessment technique using likelihood and impact. The study shows AHP is able to provide consistency check on subjective judgements, organise a large number of risks into a structured framework, assist risk managers to make explicit risk trade-offs, and provide an easy to understand and systematic risk assessment process.

Toward the automated analysis of plasma physics problems

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

Mynick, H.E.

1989-04-01

A program (CALC) is described, which carries out nontrivial plasma physics calculations, in a manner intended to emulate the approach of a human theorist. This includes the initial process of gathering the relevant equations from a plasma knowledge base, and then determining how to solve them. Solution of the sets of equations governing physics problems, which in general have a nonuniform,irregular structure, not amenable to solution by standardized algorithmic procedures, is facilitated by an analysis of the structure of the equations and the relations among them. This often permits decompositions of the full problem into subproblems, and other simplifications inmore » form, which renders the resultant subsystems soluble by more standardized tools. CALC's operation is illustrated by a detailed description of its treatment of a sample plasma calculation. 5 refs., 3 figs.« less

Mathematical Structure of Electromagnetic Terrain Feature Canopy Models.

DTIC Science & Technology

1982-11-01

problems in this formulation is how to introduce canopy abstraction and how to project the foliage area index. Suits -- - "-7 U -16- (1972...extinction coefficient of light through vegetation canopy will determine how the beam will be depleted with depth. The intensity of light reaching the...describe how lations of the canopy reflectance problem are being at- layer i responds to flux incident from below. The flux tempted, most notably by Verhoef

Analytical calculation on the determination of steep side wall angles from far field measurements

NASA Astrophysics Data System (ADS)

Cisotto, Luca; Pereira, Silvania F.; Urbach, H. Paul

2018-06-01

In the semiconductor industry, the performance and capabilities of the lithographic process are evaluated by measuring specific structures. These structures are often gratings of which the shape is described by a few parameters such as period, middle critical dimension, height, and side wall angle (SWA). Upon direct measurement or retrieval of these parameters, the determination of the SWA suffers from considerable inaccuracies. Although the scattering effects that steep SWAs have on the illumination can be obtained with rigorous numerical simulations, analytical models constitute a very useful tool to get insights into the problem we are treating. In this paper, we develop an approach based on analytical calculations to describe the scattering of a cliff and a ridge with steep SWAs. We also propose a detection system to determine the SWAs of the structures.

CCP4i2: the new graphical user interface to the CCP4 program suite

PubMed Central

Potterton, Liz; Ballard, Charles; Dodson, Eleanor; Evans, Phil R.; Keegan, Ronan; Krissinel, Eugene; Stevenson, Kyle; Lebedev, Andrey; McNicholas, Stuart J.; Noble, Martin; Pannu, Navraj S.; Roth, Christian; Sheldrick, George; Skubak, Pavol; Uski, Ville

2018-01-01

The CCP4 (Collaborative Computational Project, Number 4) software suite for macromolecular structure determination by X-ray crystallography groups brings together many programs and libraries that, by means of well established conventions, interoperate effectively without adhering to strict design guidelines. Because of this inherent flexibility, users are often presented with diverse, even divergent, choices for solving every type of problem. Recently, CCP4 introduced CCP4i2, a modern graphical interface designed to help structural biologists to navigate the process of structure determination, with an emphasis on pipelining and the streamlined presentation of results. In addition, CCP4i2 provides a framework for writing structure-solution scripts that can be built up incrementally to create increasingly automatic procedures. PMID:29533233

A comparison of the capital structures of nonprofit and proprietary health care organizations.

PubMed

Trussel, John

2012-01-01

The relative amount of debt used by an organization is an important determination of the organization's likelihood of financial problems and its cost of capital. This study addresses whether or not there are any differences between proprietary and nonprofit health care organizations in terms of capital structure. Controlling for profitability, risk, growth, and size, analysis of covariance is used to determine whether or not proprietary and nonprofit health care organizations use the same amount of leverage in their capital structures. The results indicate that there is no difference in the amount of leverage between the two institutional types. Although nonprofit and proprietary organizations have unique financing mechanisms, these differences do not impact the relative amount of debt and equity in their capital structures.

Swellix: a computational tool to explore RNA conformational space.

PubMed

Sloat, Nathan; Liu, Jui-Wen; Schroeder, Susan J

2017-11-21

The sequence of nucleotides in an RNA determines the possible base pairs for an RNA fold and thus also determines the overall shape and function of an RNA. The Swellix program presented here combines a helix abstraction with a combinatorial approach to the RNA folding problem in order to compute all possible non-pseudoknotted RNA structures for RNA sequences. The Swellix program builds on the Crumple program and can include experimental constraints on global RNA structures such as the minimum number and lengths of helices from crystallography, cryoelectron microscopy, or in vivo crosslinking and chemical probing methods. The conceptual advance in Swellix is to count helices and generate all possible combinations of helices rather than counting and combining base pairs. Swellix bundles similar helices and includes improvements in memory use and efficient parallelization. Biological applications of Swellix are demonstrated by computing the reduction in conformational space and entropy due to naturally modified nucleotides in tRNA sequences and by motif searches in Human Endogenous Retroviral (HERV) RNA sequences. The Swellix motif search reveals occurrences of protein and drug binding motifs in the HERV RNA ensemble that do not occur in minimum free energy or centroid predicted structures. Swellix presents significant improvements over Crumple in terms of efficiency and memory use. The efficient parallelization of Swellix enables the computation of sequences as long as 418 nucleotides with sufficient experimental constraints. Thus, Swellix provides a practical alternative to free energy minimization tools when multiple structures, kinetically determined structures, or complex RNA-RNA and RNA-protein interactions are present in an RNA folding problem.

Alternative Perspectives on Risk: Individual Differences in Problem Structuring

NASA Technical Reports Server (NTRS)

Orasanu, Judith; Fischer, Ute; Connors, Mary M. (Technical Monitor)

1997-01-01

Team decision making involves contributions of multiple players toward a common goal. While much has been written about the importance of developing shared mental models in order for teams to work together effectively, little has been done to determine the value of alternative perspectives on problem solving and decision making. Early studies of expertise contrasted experts with novices and noted that the two groups differ in the way they structure problems and in their selection of information as salient. Little attention has been given to differences among experts who differ in their specializations. A series of experiments was conducted to determine: (1) what dimensions of flight-related problem situations pilots judge to be most important when making flight-relevant decisions; and (2) whether pilots in different crew positions differ in the way they interpret problems relating to flight decisions. A sorting task was used to identify underlying dimensions judged as salient to individual pilots. Captains, first officers, and flight engineers from two major carriers participated in the study. Twenty-two flight scenarios were developed based on ASRS reports. Pilots were required to make judgments about how they would respond in each case and to sort the scenarios on the basis of similarity of decision factors. They were also asked to provide a verbal label that described each of their sorted categories. A second study required a different group of pilots (also captains, first officers and flight engineers) to sort on predetermined bases.

Graphical determination of wall temperatures for heat transfers through walls of arbitrary shape

NASA Technical Reports Server (NTRS)

Lutz, Otto

1950-01-01

A graphical method is given which permits determining of the temperature distribution during heat transfer in arbitrarily shaped walls. Three examples show the application of the method. The further development of heat engines depends to a great extent on the control of the thermal stresses in the walls. The thermal stresses stem from the nonuniform temperature distribution in heat transfer through walls which are, for structural reasons, of various thicknesses and sometimes complicated shape. Thus, it is important to know the temperature distribution in these structural parts. Following, a method is given which permits solution of this problem.

Rocket Engine Oscillation Diagnostics

NASA Technical Reports Server (NTRS)

Nesman, Tom; Turner, James E. (Technical Monitor)

2002-01-01

Rocket engine oscillating data can reveal many physical phenomena ranging from unsteady flow and acoustics to rotordynamics and structural dynamics. Because of this, engine diagnostics based on oscillation data should employ both signal analysis and physical modeling. This paper describes an approach to rocket engine oscillation diagnostics, types of problems encountered, and example problems solved. Determination of design guidelines and environments (or loads) from oscillating phenomena is required during initial stages of rocket engine design, while the additional tasks of health monitoring, incipient failure detection, and anomaly diagnostics occur during engine development and operation. Oscillations in rocket engines are typically related to flow driven acoustics, flow excited structures, or rotational forces. Additional sources of oscillatory energy are combustion and cavitation. Included in the example problems is a sampling of signal analysis tools employed in diagnostics. The rocket engine hardware includes combustion devices, valves, turbopumps, and ducts. Simple models of an oscillating fluid system or structure can be constructed to estimate pertinent dynamic parameters governing the unsteady behavior of engine systems or components. In the example problems it is shown that simple physical modeling when combined with signal analysis can be successfully employed to diagnose complex rocket engine oscillatory phenomena.

Analysis of Structure Destroyed Metal after Diffusion Heat Treatment

NASA Astrophysics Data System (ADS)

Apasov, A. M.; Kozlov, E. V.; Fedoseev, S. N.

2016-08-01

It was accomplished research of the structure steel which carbonitriding and subsequent heat treatment was exposed for its cause's destruction to discover. For measure quality field of metal were used methods optical, appearing electronic microscopy and X-ray diffraction. Therefore one of the principal problems were research phase composition, grain and dislocation structure of a metal the gear teeth. Mechanism of rising hear cracks in the gear teeth on different stages her making and their trajectories of evolution were determined.

Protein Side-Chain Resonance Assignment and NOE Assignment Using RDC-Defined Backbones without TOCSY Data3

PubMed Central

Zeng, Jianyang; Zhou, Pei; Donald, Bruce Randall

2011-01-01

One bottleneck in NMR structure determination lies in the laborious and time-consuming process of side-chain resonance and NOE assignments. Compared to the well-studied backbone resonance assignment problem, automated side-chain resonance and NOE assignments are relatively less explored. Most NOE assignment algorithms require nearly complete side-chain resonance assignments from a series of through-bond experiments such as HCCH-TOCSY or HCCCONH. Unfortunately, these TOCSY experiments perform poorly on large proteins. To overcome this deficiency, we present a novel algorithm, called NASCA (NOE Assignment and Side-Chain Assignment), to automate both side-chain resonance and NOE assignments and to perform high-resolution protein structure determination in the absence of any explicit through-bond experiment to facilitate side-chain resonance assignment, such as HCCH-TOCSY. After casting the assignment problem into a Markov Random Field (MRF), NASCA extends and applies combinatorial protein design algorithms to compute optimal assignments that best interpret the NMR data. The MRF captures the contact map information of the protein derived from NOESY spectra, exploits the backbone structural information determined by RDCs, and considers all possible side-chain rotamers. The complexity of the combinatorial search is reduced by using a dead-end elimination (DEE) algorithm, which prunes side-chain resonance assignments that are provably not part of the optimal solution. Then an A* search algorithm is employed to find a set of optimal side-chain resonance assignments that best fit the NMR data. These side-chain resonance assignments are then used to resolve the NOE assignment ambiguity and compute high-resolution protein structures. Tests on five proteins show that NASCA assigns resonances for more than 90% of side-chain protons, and achieves about 80% correct assignments. The final structures computed using the NOE distance restraints assigned by NASCA have backbone RMSD 0.8 – 1.5 Å from the reference structures determined by traditional NMR approaches. PMID:21706248

Coupled Finite Volume and Finite Element Method Analysis of a Complex Large-Span Roof Structure

NASA Astrophysics Data System (ADS)

Szafran, J.; Juszczyk, K.; Kamiński, M.

2017-12-01

The main goal of this paper is to present coupled Computational Fluid Dynamics and structural analysis for the precise determination of wind impact on internal forces and deformations of structural elements of a longspan roof structure. The Finite Volume Method (FVM) serves for a solution of the fluid flow problem to model the air flow around the structure, whose results are applied in turn as the boundary tractions in the Finite Element Method problem structural solution for the linear elastostatics with small deformations. The first part is carried out with the use of ANSYS 15.0 computer system, whereas the FEM system Robot supports stress analysis in particular roof members. A comparison of the wind pressure distribution throughout the roof surface shows some differences with respect to that available in the engineering designing codes like Eurocode, which deserves separate further numerical studies. Coupling of these two separate numerical techniques appears to be promising in view of future computational models of stochastic nature in large scale structural systems due to the stochastic perturbation method.

High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method.

PubMed

Higashiura, Akifumi; Ohta, Kazunori; Masaki, Mika; Sato, Masaru; Inaka, Koji; Tanaka, Hiroaki; Nakagawa, Atsushi

2013-11-01

Recently, many technical improvements in macromolecular X-ray crystallography have increased the number of structures deposited in the Protein Data Bank and improved the resolution limit of protein structures. Almost all high-resolution structures have been determined using a synchrotron radiation source in conjunction with cryocooling techniques, which are required in order to minimize radiation damage. However, optimization of cryoprotectant conditions is a time-consuming and difficult step. To overcome this problem, the high-pressure cryocooling method was developed (Kim et al., 2005) and successfully applied to many protein-structure analyses. In this report, using the high-pressure cryocooling method, the X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. Structural comparisons between high- and ambient-pressure cryocooled crystals at ultra-high resolution illustrate the versatility of this technique. This is the first ultra-high-resolution X-ray structure obtained using the high-pressure cryocooling method.

Autonomy support and need satisfaction in prevocational programs on care farms: The self-determination theory perspective.

PubMed

Ellingsen-Dalskau, Lina H; Morken, Margrete; Berget, Bente; Pedersen, Ingeborg

2015-01-01

Mental health problems are leading causes for early and prolonged withdrawal from the workforce. Green work on care farms represents a prevocational training program intended to stimulate return to work for people with mental health problems. Research suggests that care farms may improve mental health, but there is still little knowledge of the subjective perspective of clients in green work programs. To gain a deeper and broader understanding of the individual experiences of people with mental health problems participating in green work on care farms in Norway. A hermeneutic phenomenological research design was applied. Ten semi-structured interviews were conducted. The self-determination theory (SDT) was adapted to gain a deeper understanding of the themes that emerged in the analysis process of the interviews. Five main themes materialize describing participants' experiences within the green work program. The main themes consist of (1) structure and flexibility, (2) understanding and acknowledgement, (3) guidance and positive feedback, (4) nature and animals, and (5) reflections on personal functioning and the future. The main themes identified indicate a high degree of autonomy support and need satisfaction within the care farm context, which according to SDT can facilitate good human functioning, and well-being.

Place of the Prosecutor's Office of the Russian Federation in System of Bodies Involved in Criminal Prosecution

ERIC Educational Resources Information Center

Grebennikov, Valeriy V.; Sangadzhiev, Badma V.; Vinogradova, Elena V.

2016-01-01

The relevance of the study to the problem of determining the place of prosecutors in the system of state bodies carrying out criminal prosecution, is determined, firstly, by the ongoing scientific debates and lack of consensus about the nature of the Prosecutor's office, the place and role of prosecutorial supervision in the structure of the…

Optimization of controlled processes in combined-cycle plant (new developments and researches)

NASA Astrophysics Data System (ADS)

Tverskoy, Yu S.; Muravev, I. K.

2017-11-01

All modern complex technical systems, including power units of TPP and nuclear power plants, work in the system-forming structure of multifunctional APCS. The development of the modern APCS mathematical support allows bringing the automation degree to the solution of complex optimization problems of equipment heat-mass-exchange processes in real time. The difficulty of efficient management of a binary power unit is related to the need to solve jointly at least three problems. The first problem is related to the physical issues of combined-cycle technologies. The second problem is determined by the criticality of the CCGT operation to changes in the regime and climatic factors. The third problem is related to a precise description of a vector of controlled coordinates of a complex technological object. To obtain a joint solution of this complex of interconnected problems, the methodology of generalized thermodynamic analysis, methods of the theory of automatic control and mathematical modeling are used. In the present report, results of new developments and studies are shown. These results allow improving the principles of process control and the automatic control systems structural synthesis of power units with combined-cycle plants that provide attainable technical and economic efficiency and operational reliability of equipment.

Orbital motion (3rd revised and enlarged edition)

NASA Astrophysics Data System (ADS)

Roy, A. E.

The fundamental principles of celestial mechanics are discussed in an introduction for students of astronomy, aerospace engineering, and geography. Chapters are devoted to the dynamic structure of the universe, coordinate and timekeeping systems, the reduction of observational data, the two-body problem, the many-body problem, general and special perturbations, and the stability and evolution of the solar system. Consideration is given to lunar theory, artificial satellites, rocket dynamics and transfer orbits, interplanetary and lunar trajectories, orbit determination and interplanetary navigation, binaries and other few-body systems, and many-body systems of stars. Diagrams, graphs, tables, and problems with solutions are provided.

The menu-setting problem and subsidized prices: drug formulary illustration.

PubMed

Olmstead, T; Zeckhauser, R

1999-10-01

The menu-setting problem (MSP) determines the goods and services an institution offers and the prices charged. It appears widely in health care, from choosing the services an insurance arrangement offers, to selecting the health plans an employer proffers. The challenge arises because purchases are subsidized, and consumers (or their physician agents) may make cost-ineffective choices. The intuitively comprehensible MSP model--readily solved by computer using actual data--helps structure thinking and support decision making about such problems. The analysis uses drug formularies--lists of approved drugs in a plan or institution--to illustrate the framework.

Relief of reinforcing congestion in beams and bent caps of concrete bridges.

DOT National Transportation Integrated Search

2012-06-01

In order to determine how to resolve the issues involving steel congestion in reinforced concrete (RC) structures, three potential solutions to this problem were researched. In the first method, reinforced concrete (RC) was mixed with steel fibers. T...

Attic Inlet Technology Update

USDA-ARS?s Scientific Manuscript database

Attic inlets are a popular addition for new construction and energy saving retrofits. Proper management of attic inlets is necessary to get maximum benefits from the system and reduce the likelihood of moisture-related problems in the structure. Solar energy levels were determined for the continen...

Structural Identifiability of Dynamic Systems Biology Models

PubMed Central

Villaverde, Alejandro F.

2016-01-01

A powerful way of gaining insight into biological systems is by creating a nonlinear differential equation model, which usually contains many unknown parameters. Such a model is called structurally identifiable if it is possible to determine the values of its parameters from measurements of the model outputs. Structural identifiability is a prerequisite for parameter estimation, and should be assessed before exploiting a model. However, this analysis is seldom performed due to the high computational cost involved in the necessary symbolic calculations, which quickly becomes prohibitive as the problem size increases. In this paper we show how to analyse the structural identifiability of a very general class of nonlinear models by extending methods originally developed for studying observability. We present results about models whose identifiability had not been previously determined, report unidentifiabilities that had not been found before, and show how to modify those unidentifiable models to make them identifiable. This method helps prevent problems caused by lack of identifiability analysis, which can compromise the success of tasks such as experiment design, parameter estimation, and model-based optimization. The procedure is called STRIKE-GOLDD (STRuctural Identifiability taKen as Extended-Generalized Observability with Lie Derivatives and Decomposition), and it is implemented in a MATLAB toolbox which is available as open source software. The broad applicability of this approach facilitates the analysis of the increasingly complex models used in systems biology and other areas. PMID:27792726

An Inverse Interpolation Method Utilizing In-Flight Strain Measurements for Determining Loads and Structural Response of Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Shkarayev, S.; Krashantisa, R.; Tessler, A.

2004-01-01

An important and challenging technology aimed at the next generation of aerospace vehicles is that of structural health monitoring. The key problem is to determine accurately, reliably, and in real time the applied loads, stresses, and displacements experienced in flight, with such data establishing an information database for structural health monitoring. The present effort is aimed at developing a finite element-based methodology involving an inverse formulation that employs measured surface strains to recover the applied loads, stresses, and displacements in an aerospace vehicle in real time. The computational procedure uses a standard finite element model (i.e., "direct analysis") of a given airframe, with the subsequent application of the inverse interpolation approach. The inverse interpolation formulation is based on a parametric approximation of the loading and is further constructed through a least-squares minimization of calculated and measured strains. This procedure results in the governing system of linear algebraic equations, providing the unknown coefficients that accurately define the load approximation. Numerical simulations are carried out for problems involving various levels of structural approximation. These include plate-loading examples and an aircraft wing box. Accuracy and computational efficiency of the proposed method are discussed in detail. The experimental validation of the methodology by way of structural testing of an aircraft wing is also discussed.

Theory and Device Modeling for Nano-Structured Transistor Channels

DTIC Science & Technology

2011-06-01

zinc oxide ( ZnO ) thin film transistors ( TFTs ) that contain nanocrystalline grains on the order of ~20nm. The authors of ref. 1 present results...problem in order to determine the threshold voltage. 15. SUBJECT TERMS nano-structured transistor , mesoscopic, zinc oxide , ZnO , field-effect...and R. Neidhard, “Microwave ZnO Thin - Film Transistors ”, IEEE Electron Dev. Lett. 29, 1024 (2008); doi: 10.1109/LED.2008.2001635.

Study of the Rotational Structure of the v 2 Inversion Band of the 15NH2D Molecule

NASA Astrophysics Data System (ADS)

Fomchenko, A. L.; Belova, A. S.; Kwabia Tchana, F.

2018-04-01

The Fourier spectrum of the 15NH2D molecule in the range from 650 to 1150 cm-1, where the ν2 vibrationinversion band is located, is first studied. Analysis of the given band allows the energy rovibrational structure of the examined state to be determined. The inverse spectroscopic problem is solved based on the data obtained.

Exact finite element method analysis of viscoelastic tapered structures to transient loads

NASA Technical Reports Server (NTRS)

Spyrakos, Constantine Chris

1987-01-01

A general method is presented for determining the dynamic torsional/axial response of linear structures composed of either tapered bars or shafts to transient excitations. The method consists of formulating and solving the dynamic problem in the Laplace transform domain by the finite element method and obtaining the response by a numerical inversion of the transformed solution. The derivation of the torsional and axial stiffness matrices is based on the exact solution of the transformed governing equation of motion, and it consequently leads to the exact solution of the problem. The solution permits treatment of the most practical cases of linear tapered bars and shafts, and employs modeling of structures with only one element per member which reduces the number of degrees of freedom involved. The effects of external viscous or internal viscoelastic damping are also taken into account.

Parameter and Structure Inference for Nonlinear Dynamical Systems

NASA Technical Reports Server (NTRS)

Morris, Robin D.; Smelyanskiy, Vadim N.; Millonas, Mark

2006-01-01

A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.

A matrix dependent/algebraic multigrid approach for extruded meshes with applications to ice sheet modeling

DOE PAGES

Tuminaro, Raymond S.; Perego, Mauro; Tezaur, Irina Kalashnikova; ...

2016-10-06

A multigrid method is proposed that combines ideas from matrix dependent multigrid for structured grids and algebraic multigrid for unstructured grids. It targets problems where a three-dimensional mesh can be viewed as an extrusion of a two-dimensional, unstructured mesh in a third dimension. Our motivation comes from the modeling of thin structures via finite elements and, more specifically, the modeling of ice sheets. Extruded meshes are relatively common for thin structures and often give rise to anisotropic problems when the thin direction mesh spacing is much smaller than the broad direction mesh spacing. Within our approach, the first few multigridmore » hierarchy levels are obtained by applying matrix dependent multigrid to semicoarsen in a structured thin direction fashion. After sufficient structured coarsening, the resulting mesh contains only a single layer corresponding to a two-dimensional, unstructured mesh. Algebraic multigrid can then be employed in a standard manner to create further coarse levels, as the anisotropic phenomena is no longer present in the single layer problem. The overall approach remains fully algebraic, with the minor exception that some additional information is needed to determine the extruded direction. Furthermore, this facilitates integration of the solver with a variety of different extruded mesh applications.« less

Dynamic analysis of space-related linear and non-linear structures

NASA Technical Reports Server (NTRS)

Bosela, Paul A.; Shaker, Francis J.; Fertis, Demeter G.

1990-01-01

In order to be cost effective, space structures must be extremely light weight, and subsequently, very flexible structures. The power system for Space Station Freedom is such a structure. Each array consists of a deployable truss mast and a split blanket of photo-voltaic solar collectors. The solar arrays are deployed in orbit, and the blanket is stretched into position as the mast is extended. Geometric stiffness due to the preload make this an interesting non-linear problem. The space station will be subjected to various dynamic loads, during shuttle docking, solar tracking, attitude adjustment, etc. Accurate prediction of the natural frequencies and mode shapes of the space station components, including the solar arrays, is critical for determining the structural adequacy of the components, and for designing a dynamic control system. The process used in developing and verifying the finite element dynamic model of the photo-voltaic arrays is documented. Various problems were identified, such as grounding effects due to geometric stiffness, large displacement effects, and pseudo-stiffness (grounding) due to lack of required rigid body modes. Analysis techniques, such as development of rigorous solutions using continuum mechanics, finite element solution sequence altering, equivalent systems using a curvature basis, Craig-Bampton superelement approach, and modal ordering schemes were utilized. The grounding problems associated with the geometric stiffness are emphasized.

Dynamic analysis of space-related linear and non-linear structures

NASA Technical Reports Server (NTRS)

Bosela, Paul A.; Shaker, Francis J.; Fertis, Demeter G.

1990-01-01

In order to be cost effective, space structures must be extremely light weight, and subsequently, very flexible structures. The power system for Space Station Freedom is such a structure. Each array consists of a deployable truss mast and a split blanket of photovoltaic solar collectors. The solar arrays are deployed in orbit, and the blanket is stretched into position as the mast is extended. Geometric stiffness due to the preload make this an interesting non-linear problem. The space station will be subjected to various dynamic loads, during shuttle docking, solar tracking, attitude adjustment, etc. Accurate prediction of the natural frequencies and mode shapes of the space station components, including the solar arrays, is critical for determining the structural adequacy of the components, and for designing a dynamic controls system. The process used in developing and verifying the finite element dynamic model of the photo-voltaic arrays is documented. Various problems were identified, such as grounding effects due to geometric stiffness, large displacement effects, and pseudo-stiffness (grounding) due to lack of required rigid body modes. Analysis techniques, such as development of rigorous solutions using continuum mechanics, finite element solution sequence altering, equivalent systems using a curvature basis, Craig-Bampton superelement approach, and modal ordering schemes were utilized. The grounding problems associated with the geometric stiffness are emphasized.

Predictive and Experimental Approaches for Elucidating Protein–Protein Interactions and Quaternary Structures

PubMed Central

Nealon, John Oliver; Philomina, Limcy Seby

2017-01-01

The elucidation of protein–protein interactions is vital for determining the function and action of quaternary protein structures. Here, we discuss the difficulty and importance of establishing protein quaternary structure and review in vitro and in silico methods for doing so. Determining the interacting partner proteins of predicted protein structures is very time-consuming when using in vitro methods, this can be somewhat alleviated by use of predictive methods. However, developing reliably accurate predictive tools has proved to be difficult. We review the current state of the art in predictive protein interaction software and discuss the problem of scoring and therefore ranking predictions. Current community-based predictive exercises are discussed in relation to the growth of protein interaction prediction as an area within these exercises. We suggest a fusion of experimental and predictive methods that make use of sparse experimental data to determine higher resolution predicted protein interactions as being necessary to drive forward development. PMID:29206185

Constructing a neutron star from the lattice in G2-QCD

NASA Astrophysics Data System (ADS)

Hajizadeh, Ouraman; Maas, Axel

2017-10-01

The inner structure of neutron stars is still an open question. One obstacle is the infamous sign problem of lattice QCD, which bars access to the high-density equation of state. A possibility to make progress and understand the qualitative impact of gauge interactions on the neutron star structure is to study a modified version of QCD without the sign problem. In the modification studied here the gauge group of QCD is replaced by the exceptional Lie group G_2 , which keeps neutrons in the spectrum. Using an equation of state from lattice calculations only we determine the mass-radius-relation for a neutron star using the Tolman-Oppenheimer-Volkoff equation. This allows us to understand the challenges and approximations currently necessary to use lattice data for this purpose. We discuss in detail the particular uncertainties and systematic problems of this approach.

Application of Nonstandard Analysis to the Study of the Shock Structure in a Viscous Heat Conducting Fluid

NASA Technical Reports Server (NTRS)

Farassat, F.; Baty, R. S.

2000-01-01

The study of the shock structure in a viscous heat conducting fluid is an old problem. We study this problem from a novel mathematical point of view. A new class of generalized functions is defined where multiplication of any two functions is allowed with the usual properties. A Heaviside function in this class has the unit jump at occurring on an infinitesimal interval of the nonstandard analysis (NSA) in the halo of . This jump has a smooth microstructure over the infinitesimal interval . From this point of view, we have a new class of Heaviside functions, and their derivatives the Dirac delta functions, which are equivalent when viewed as continuous linear functionals over the test function space of Schwartz. However, they differ in their microstructures which in applications are determined from physics of the problem as shown in our presentation.

Solving Component Structural Dynamic Failures Due to Extremely High Frequency Structural Response on the Space Shuttle Program

NASA Technical Reports Server (NTRS)

Frady, Greg; Nesman, Thomas; Zoladz, Thomas; Szabo, Roland

2010-01-01

For many years, the capabilities to determine the root-cause failure of component failures have been limited to the analytical tools and the state of the art data acquisition systems. With this limited capability, many anomalies have been resolved by adding material to the design to increase robustness without the ability to determine if the design solution was satisfactory until after a series of expensive test programs were complete. The risk of failure and multiple design, test, and redesign cycles were high. During the Space Shuttle Program, many crack investigations in high energy density turbomachines, like the SSME turbopumps and high energy flows in the main propulsion system, have led to the discovery of numerous root-cause failures and anomalies due to the coexistences of acoustic forcing functions, structural natural modes, and a high energy excitation, such as an edge tone or shedding flow, leading the technical community to understand many of the primary contributors to extremely high frequency high cycle fatique fluid-structure interaction anomalies. These contributors have been identified using advanced analysis tools and verified using component and system tests during component ground tests, systems tests, and flight. The structural dynamics and fluid dynamics communities have developed a special sensitivity to the fluid-structure interaction problems and have been able to adjust and solve these problems in a time effective manner to meet budget and schedule deadlines of operational vehicle programs, such as the Space Shuttle Program over the years.

The inverse problems of wing panel manufacture processes

NASA Astrophysics Data System (ADS)

Oleinikov, A. I.; Bormotin, K. S.

2013-12-01

It is shown that inverse problems of steady-state creep bending of plates in both the geometrically linear and nonlinear formulations can be represented in a variational formulation. Steady-state values of the obtained functionals corresponding to the solutions of the problems of inelastic deformation and springback are determined by applying a finite element procedure to the functionals. Optimal laws of creep deformation are formulated using the criterion of minimizing damage in the functionals of the inverse problems. The formulated problems are reduced to the problems solved by the finite element method using MSC.Marc software. Currently, forming of light metals poses tremendous challenges due to their low ductility at room temperature and their unusual deformation characteristics at hot-cold work: strong asymmetry between tensile and compressive behavior, and a very pronounced anisotropy. We used the constitutive models of steady-state creep of initially transverse isotropy structural materials the kind of the stress state has influence. The paper gives basics of the developed computer-aided system of design, modeling, and electronic simulation targeting the processes of manufacture of wing integral panels. The modeling results can be used to calculate the die tooling, determine the panel processibility, and control panel rejection in the course of forming.

Integrated Force Method Solution to Indeterminate Structural Mechanics Problems

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Hopkins, Dale A.; Halford, Gary R.

2004-01-01

Strength of materials problems have been classified into determinate and indeterminate problems. Determinate analysis primarily based on the equilibrium concept is well understood. Solutions of indeterminate problems required additional compatibility conditions, and its comprehension was not exclusive. A solution to indeterminate problem is generated by manipulating the equilibrium concept, either by rewriting in the displacement variables or through the cutting and closing gap technique of the redundant force method. Compatibility improvisation has made analysis cumbersome. The authors have researched and understood the compatibility theory. Solutions can be generated with equal emphasis on the equilibrium and compatibility concepts. This technique is called the Integrated Force Method (IFM). Forces are the primary unknowns of IFM. Displacements are back-calculated from forces. IFM equations are manipulated to obtain the Dual Integrated Force Method (IFMD). Displacement is the primary variable of IFMD and force is back-calculated. The subject is introduced through response variables: force, deformation, displacement; and underlying concepts: equilibrium equation, force deformation relation, deformation displacement relation, and compatibility condition. Mechanical load, temperature variation, and support settling are equally emphasized. The basic theory is discussed. A set of examples illustrate the new concepts. IFM and IFMD based finite element methods are introduced for simple problems.

Inverse Problems for Semilinear Wave Equations on Lorentzian Manifolds

NASA Astrophysics Data System (ADS)

Lassas, Matti; Uhlmann, Gunther; Wang, Yiran

2018-06-01

We consider inverse problems in space-time ( M, g), a 4-dimensional Lorentzian manifold. For semilinear wave equations {\\square_g u + H(x, u) = f}, where {\\square_g} denotes the usual Laplace-Beltrami operator, we prove that the source-to-solution map {L: f → u|_V}, where V is a neighborhood of a time-like geodesic {μ}, determines the topological, differentiable structure and the conformal class of the metric of the space-time in the maximal set, where waves can propagate from {μ} and return back. Moreover, on a given space-time ( M, g), the source-to-solution map determines some coefficients of the Taylor expansion of H in u.

Guidelines for determining the capacity of d-regions with premature concrete deterioration of ASR/DEF.

DOT National Transportation Integrated Search

2012-11-01

When a bridge engineer encounters a design or analysis problem concerning a bridge substructure, that structure will commonly have a mixture of member types, some slender, and some squat. Slender members are generally governed by flexure, and normal ...

The Strategic Systems Therapies: Measuring the Models.

ERIC Educational Resources Information Center

Rohrbaugh, Michael

As family therapy becomes a serious intellectual disipline, the relationships among its leading variations require closer examination. To examine similarities and differences among four closely related approaches (brief, problem-focused therapy; structural family therapy; strategic family therapy; and systemic family therapy) and to determine if…

Strain-Based Damage Determination Using Finite Element Analysis for Structural Health Management

NASA Technical Reports Server (NTRS)

Hochhalter, Jacob D.; Krishnamurthy, Thiagaraja; Aguilo, Miguel A.

2016-01-01

A damage determination method is presented that relies on in-service strain sensor measurements. The method employs a gradient-based optimization procedure combined with the finite element method for solution to the forward problem. It is demonstrated that strains, measured at a limited number of sensors, can be used to accurately determine the location, size, and orientation of damage. Numerical examples are presented to demonstrate the general procedure. This work is motivated by the need to provide structural health management systems with a real-time damage characterization. The damage cases investigated herein are characteristic of point-source damage, which can attain critical size during flight. The procedure described can be used to provide prognosis tools with the current damage configuration.

Acoustic and elastic multiple scattering and radiation from cylindrical structures

NASA Astrophysics Data System (ADS)

Amirkulova, Feruza Abdukadirovna

Multiple scattering (MS) and radiation of waves by a system of scatterers is of great theoretical and practical importance and is required in a wide variety of physical contexts such as the implementation of "invisibility" cloaks, the effective parameter characterization, and the fabrication of dynamically tunable structures, etc. The dissertation develops fast, rapidly convergent iterative techniques to expedite the solution of MS problems. The formulation of MS problems reduces to a system of linear algebraic equations using Graf's theorem and separation of variables. The iterative techniques are developed using Neumann expansion and Block Toeplitz structure of the linear system; they are very general, and suitable for parallel computations and a large number of MS problems, i.e. acoustic, elastic, electromagnetic, etc., and used for the first time to solve MS problems. The theory is implemented in Matlab and FORTRAN, and the theoretical predictions are compared to computations obtained by COMSOL. To formulate the MS problem, the transition matrix is obtained by analyzing an acoustic and an elastic single scattering of incident waves by elastic isotropic and anisotropic solids. The mathematical model of wave scattering from multilayered cylindrical and spherical structures is developed by means of an exact solution of dynamic 3D elasticity theory. The recursive impedance matrix algorithm is derived for radially heterogeneous anisotropic solids. An explicit method for finding the impedance in piecewise uniform, transverse-isotropic material is proposed; the solution is compared to elasticity theory solutions involving Buchwald potentials. Furthermore, active exterior cloaking devices are modeled for acoustic and elastic media using multipole sources. A cloaking device can render an object invisible to some incident waves as seen by some external observer. The active cloak is generated by a discrete set of multipole sources that destructively interfere with an incident wave to produce zero total field over a finite spatial region. The approach precisely determines the necessary source amplitudes and enables a cloaked region to be determined using Graf's theorem. To apply the approach, the infinite series of multipole expansions are truncated, and the accuracy of cloaking is studied by modifying the truncation parameter.

Four tails problems for dynamical collapse theories

NASA Astrophysics Data System (ADS)

McQueen, Kelvin J.

2015-02-01

The primary quantum mechanical equation of motion entails that measurements typically do not have determinate outcomes, but result in superpositions of all possible outcomes. Dynamical collapse theories (e.g. GRW) supplement this equation with a stochastic Gaussian collapse function, intended to collapse the superposition of outcomes into one outcome. But the Gaussian collapses are imperfect in a way that leaves the superpositions intact. This is the tails problem. There are several ways of making this problem more precise. But many authors dismiss the problem without considering the more severe formulations. Here I distinguish four distinct tails problems. The first (bare tails problem) and second (structured tails problem) exist in the literature. I argue that while the first is a pseudo-problem, the second has not been adequately addressed. The third (multiverse tails problem) reformulates the second to account for recently discovered dynamical consequences of collapse. Finally the fourth (tails problem dilemma) shows that solving the third by replacing the Gaussian with a non-Gaussian collapse function introduces new conflict with relativity theory.

Life Outside the Golden Window: Statistical Angles on the Signal-to-Noise Problem

NASA Astrophysics Data System (ADS)

Wagman, Michael

2018-03-01

Lattice QCD simulations of multi-baryon correlation functions can predict the structure and reactions of nuclei without encountering the baryon chemical potential sign problem. However, they suffer from a signal-to-noise problem where Monte Carlo estimates of observables have quantum fluctuations that are exponentially larger than their average values. Recent lattice QCD results demonstrate that the complex phase of baryon correlations functions relates the baryon signal-to-noise problem to a sign problem and exhibits unexpected statistical behavior resembling a heavy-tailed random walk on the unit circle. Estimators based on differences of correlation function phases evaluated at different Euclidean times are discussed that avoid the usual signal-to-noise problem, instead facing a signal-to-noise problem as the time interval associated with the phase difference is increased, and allow hadronic observables to be determined from arbitrarily large-time correlation functions.

Curvilinear Immersed Boundary Method for Simulating Fluid Structure Interaction with Complex 3D Rigid Bodies

PubMed Central

Borazjani, Iman; Ge, Liang; Sotiropoulos, Fotis

2010-01-01

The sharp-interface CURVIB approach of Ge and Sotiropoulos [L. Ge, F. Sotiropoulos, A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries, Journal of Computational Physics 225 (2007) 1782–1809] is extended to simulate fluid structure interaction (FSI) problems involving complex 3D rigid bodies undergoing large structural displacements. The FSI solver adopts the partitioned FSI solution approach and both loose and strong coupling strategies are implemented. The interfaces between immersed bodies and the fluid are discretized with a Lagrangian grid and tracked with an explicit front-tracking approach. An efficient ray-tracing algorithm is developed to quickly identify the relationship between the background grid and the moving bodies. Numerical experiments are carried out for two FSI problems: vortex induced vibration of elastically mounted cylinders and flow through a bileaflet mechanical heart valve at physiologic conditions. For both cases the computed results are in excellent agreement with benchmark simulations and experimental measurements. The numerical experiments suggest that both the properties of the structure (mass, geometry) and the local flow conditions can play an important role in determining the stability of the FSI algorithm. Under certain conditions unconditionally unstable iteration schemes result even when strong coupling FSI is employed. For such cases, however, combining the strong-coupling iteration with under-relaxation in conjunction with the Aitken’s acceleration technique is shown to effectively resolve the stability problems. A theoretical analysis is presented to explain the findings of the numerical experiments. It is shown that the ratio of the added mass to the mass of the structure as well as the sign of the local time rate of change of the force or moment imparted on the structure by the fluid determine the stability and convergence of the FSI algorithm. The stabilizing role of under-relaxation is also clarified and an upper bound of the required for stability under-relaxation coefficient is derived. PMID:20981246

Curvilinear immersed boundary method for simulating fluid structure interaction with complex 3D rigid bodies

NASA Astrophysics Data System (ADS)

Borazjani, Iman; Ge, Liang; Sotiropoulos, Fotis

2008-08-01

The sharp-interface CURVIB approach of Ge and Sotiropoulos [L. Ge, F. Sotiropoulos, A numerical method for solving the 3D unsteady incompressible Navier-Stokes equations in curvilinear domains with complex immersed boundaries, Journal of Computational Physics 225 (2007) 1782-1809] is extended to simulate fluid structure interaction (FSI) problems involving complex 3D rigid bodies undergoing large structural displacements. The FSI solver adopts the partitioned FSI solution approach and both loose and strong coupling strategies are implemented. The interfaces between immersed bodies and the fluid are discretized with a Lagrangian grid and tracked with an explicit front-tracking approach. An efficient ray-tracing algorithm is developed to quickly identify the relationship between the background grid and the moving bodies. Numerical experiments are carried out for two FSI problems: vortex induced vibration of elastically mounted cylinders and flow through a bileaflet mechanical heart valve at physiologic conditions. For both cases the computed results are in excellent agreement with benchmark simulations and experimental measurements. The numerical experiments suggest that both the properties of the structure (mass, geometry) and the local flow conditions can play an important role in determining the stability of the FSI algorithm. Under certain conditions the FSI algorithm is unconditionally unstable even when strong coupling FSI is employed. For such cases, however, combining the strong coupling iteration with under-relaxation in conjunction with the Aitken's acceleration technique is shown to effectively resolve the stability problems. A theoretical analysis is presented to explain the findings of the numerical experiments. It is shown that the ratio of the added mass to the mass of the structure as well as the sign of the local time rate of change of the force or moment imparted on the structure by the fluid determine the stability and convergence of the FSI algorithm. The stabilizing role of under-relaxation is also clarified and the upper bound of the under-relaxation coefficient, required for stability, is derived.

Determinants of quality management systems implementation in hospitals.

PubMed

Wardhani, Viera; Utarini, Adi; van Dijk, Jitse Pieter; Post, Doeke; Groothoff, Johan Willem

2009-03-01

To identify the problems and facilitating factors in the implementation of quality management system (QMS) in hospitals through a systematic review. A search strategy was performed on the Medline database for articles written in English published between 1992 and early 2006. Using the thesaurus terms 'Total Quality Management' and 'Quality Assurance Health Care', combined with the term 'hospital' and 'implement*', we identified 533 publications. The screening process was based on empirical articles describing organization-wide QMS implementation. Fourteen empirical articles fulfilled the inclusion criteria and were reviewed in this paper. An organization culture emphasizing standards and values associated with affiliation, teamwork and innovation, assumption of change and risk taking, play as the key success factor in QMS implementation. This culture needs to be supported by sufficient technical competence to apply a scientific problem-solving approach. A clear distribution of QMS function within the organizational structure is more important than establishing a formal quality structure. In addition to management leadership, physician involvement also plays an important role in implementing QMS. Six supporting and limiting factors determining QMS implementation are identified in this review. These are the organization culture, design, leadership for quality, physician involvement, quality structure and technical competence.

A Method for Decomposition of the Basic Reaction of Biological Macromolecules into Exponential Components

NASA Astrophysics Data System (ADS)

Barabash, Yu. M.; Lyamets, A. K.

2016-12-01

The structural and dynamical properties of biological macromolecules under non-equilibrium conditions determine the kinetics of their basic reaction to external stimuli. This kinetics is multiexponential in nature. This is due to the operation of various subsystems in the structure of macromolecules, as well as the effect of the basic reaction on the structure of macromolecules. The situation can be interpreted as a manifestation of the stationary states of macromolecules, which are represented by monoexponential components of the basic reaction (Monod-Wyman-Changeux model) Monod et al. (J Mol Cell Biol 12:88-118, 1965). The representation of multiexponential kinetics of the basic reaction in the form of a sum of exponential functions (A(t)={sum}_{i=1}^n{a}_i{e}^{-{k}_it}) is a multidimensional optimization problem. To solve this problem, a gradient method of optimization with software determination of the amount of exponents and reasonable calculation time is developed. This method is used to analyze the kinetics of photoinduced electron transport in the reaction centers (RC) of purple bacteria and the fluorescence induction in the granum thylakoid membranes which share a common function of converting light energy.

Protein purification and crystallization artifacts: The tale usually not told.

PubMed

Niedzialkowska, Ewa; Gasiorowska, Olga; Handing, Katarzyna B; Majorek, Karolina A; Porebski, Przemyslaw J; Shabalin, Ivan G; Zasadzinska, Ewelina; Cymborowski, Marcin; Minor, Wladek

2016-03-01

The misidentification of a protein sample, or contamination of a sample with the wrong protein, may be a potential reason for the non-reproducibility of experiments. This problem may occur in the process of heterologous overexpression and purification of recombinant proteins, as well as purification of proteins from natural sources. If the contaminated or misidentified sample is used for crystallization, in many cases the problem may not be detected until structures are determined. In the case of functional studies, the problem may not be detected for years. Here several procedures that can be successfully used for the identification of crystallized protein contaminants, including: (i) a lattice parameter search against known structures, (ii) sequence or fold identification from partially built models, and (iii) molecular replacement with common contaminants as search templates have been presented. A list of common contaminant structures to be used as alternative search models was provided. These methods were used to identify four cases of purification and crystallization artifacts. This report provides troubleshooting pointers for researchers facing difficulties in phasing or model building. © 2016 The Protein Society.

Finite-element analysis of dynamic fracture

NASA Technical Reports Server (NTRS)

Aberson, J. A.; Anderson, J. M.; King, W. W.

1976-01-01

Applications of the finite element method to the two dimensional elastodynamics of cracked structures are presented. Stress intensity factors are computed for two problems involving stationary cracks. The first serves as a vehicle for discussing lumped-mass and consistent-mass characterizations of inertia. In the second problem, the behavior of a photoelastic dynamic tear test specimen is determined for the time prior to crack propagation. Some results of a finite element simulation of rapid crack propagation in an infinite body are discussed.

Stability region maximization by decomposition-aggregation method. [Skylab stability

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Cuk, S. M.

1974-01-01

This work is to improve the estimates of the stability regions by formulating and resolving a proper maximization problem. The solution of the problem provides the best estimate of the maximal value of the structural parameter and at the same time yields the optimum comparison system, which can be used to determine the degree of stability of the Skylab. The analysis procedure is completely computerized, resulting in a flexible and powerful tool for stability considerations of large-scale linear as well as nonlinear systems.

Conceptual design and multidisciplinary optimization of in-plane morphing wing structures

NASA Astrophysics Data System (ADS)

Inoyama, Daisaku; Sanders, Brian P.; Joo, James J.

2006-03-01

In this paper, the topology optimization methodology for the synthesis of distributed actuation system with specific applications to the morphing air vehicle is discussed. The main emphasis is placed on the topology optimization problem formulations and the development of computational modeling concepts. For demonstration purposes, the inplane morphing wing model is presented. The analysis model is developed to meet several important criteria: It must allow large rigid-body displacements, as well as variation in planform area, with minimum strain on structural members while retaining acceptable numerical stability for finite element analysis. Preliminary work has indicated that addressed modeling concept meets the criteria and may be suitable for the purpose. Topology optimization is performed on the ground structure based on this modeling concept with design variables that control the system configuration. In other words, states of each element in the model are design variables and they are to be determined through optimization process. In effect, the optimization process assigns morphing members as 'soft' elements, non-morphing load-bearing members as 'stiff' elements, and non-existent members as 'voids.' In addition, the optimization process determines the location and relative force intensities of distributed actuators, which is represented computationally as equal and opposite nodal forces with soft axial stiffness. Several different optimization problem formulations are investigated to understand their potential benefits in solution quality, as well as meaningfulness of formulation itself. Sample in-plane morphing problems are solved to demonstrate the potential capability of the methodology introduced in this paper.

Expertise in Problem Solving.

DTIC Science & Technology

1981-05-18

determining our subsequent experimental procedure. Figures 2 - Ishow two samples of protocols, one from Expert R.E. and the oth,_ Irom Novice C.H., both on...in press). This is also true of older versus younger children (Chi, 1976), and fast as compared with slow learners. For example, good readers can...Using chunks as a defining unit of knowledge structure, Chase and Simon set out to experimentally identify the structure and size of chunks in the

Student-Posed Problems

NASA Astrophysics Data System (ADS)

Harper, Kathleen A.; Etkina, Eugenia

2002-10-01

As part of weekly reports,1 structured journals in which students answer three standard questions each week, they respond to the prompt, If I were the instructor, what questions would I ask or problems assign to determine if my students understood the material? An initial analysis of the results shows that some student-generated problems indicate fundamental misunderstandings of basic physical concepts. A further investigation explores the relevance of the problems to the week's material, whether the problems are solvable, and the type of problems (conceptual or calculation-based) written. Also, possible links between various characteristics of the problems and conceptual achievement are being explored. The results of this study spark many more questions for further work. A summary of current findings will be presented, along with its relationship to previous work concerning problem posing.2 1Etkina, E. Weekly Reports;A Two-Way Feedback Tool, Science Education, 84, 594-605 (2000). 2Mestre, J.P., Probing Adults Conceptual Understanding and Transfer of Learning Via Problem Posing, Journal of Applied Developmental Psychology, 23, 9-50 (2002).

Fusion proteins as alternate crystallization paths to difficult structure problems

NASA Technical Reports Server (NTRS)

Carter, Daniel C.; Rueker, Florian; Ho, Joseph X.; Lim, Kap; Keeling, Kim; Gilliland, Gary; Ji, Xinhua

1994-01-01

The three-dimensional structure of a peptide fusion product with glutathione transferase from Schistosoma japonicum (SjGST) has been solved by crystallographic methods to 2.5 A resolution. Peptides or proteins can be fused to SjGST and expressed in a plasmid for rapid synthesis in Escherichia coli. Fusion proteins created by this commercial method can be purified rapidly by chromatography on immobilized glutathione. The potential utility of using SjGST fusion proteins as alternate paths to the crystallization and structure determination of proteins is demonstrated.

Adjusting protein graphs based on graph entropy.

PubMed

Peng, Sheng-Lung; Tsay, Yu-Wei

2014-01-01

Measuring protein structural similarity attempts to establish a relationship of equivalence between polymer structures based on their conformations. In several recent studies, researchers have explored protein-graph remodeling, instead of looking a minimum superimposition for pairwise proteins. When graphs are used to represent structured objects, the problem of measuring object similarity become one of computing the similarity between graphs. Graph theory provides an alternative perspective as well as efficiency. Once a protein graph has been created, its structural stability must be verified. Therefore, a criterion is needed to determine if a protein graph can be used for structural comparison. In this paper, we propose a measurement for protein graph remodeling based on graph entropy. We extend the concept of graph entropy to determine whether a graph is suitable for representing a protein. The experimental results suggest that when applied, graph entropy helps a conformational on protein graph modeling. Furthermore, it indirectly contributes to protein structural comparison if a protein graph is solid.

Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser

DOE PAGES

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan; ...

2016-11-04

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

Adjusting protein graphs based on graph entropy

PubMed Central

2014-01-01

Measuring protein structural similarity attempts to establish a relationship of equivalence between polymer structures based on their conformations. In several recent studies, researchers have explored protein-graph remodeling, instead of looking a minimum superimposition for pairwise proteins. When graphs are used to represent structured objects, the problem of measuring object similarity become one of computing the similarity between graphs. Graph theory provides an alternative perspective as well as efficiency. Once a protein graph has been created, its structural stability must be verified. Therefore, a criterion is needed to determine if a protein graph can be used for structural comparison. In this paper, we propose a measurement for protein graph remodeling based on graph entropy. We extend the concept of graph entropy to determine whether a graph is suitable for representing a protein. The experimental results suggest that when applied, graph entropy helps a conformational on protein graph modeling. Furthermore, it indirectly contributes to protein structural comparison if a protein graph is solid. PMID:25474347

The effects of temperature and diet on age grading and population age structure determination in Drosophila.

PubMed

Aw, Wen C; Ballard, J William O

2013-10-01

The age structure of natural population is of interest in physiological, life history and ecological studies but it is often difficult to determine. One methodological problem is that samples may need to be invasively sampled preventing subsequent taxonomic curation. A second problem is that it can be very expensive to accurately determine the age structure of given population because large sample sizes are often necessary. In this study, we test the effects of temperature (17 °C, 23 °C and 26 °C) and diet (standard cornmeal and low calorie diet) on the accuracy of the non-invasive, inexpensive and high throughput near-infrared spectroscopy (NIRS) technique to determine the age of Drosophila flies. Composite and simplified calibration models were developed for each sex. Independent sets for each temperature and diet treatments with flies not involved in calibration model were then used to validate the accuracy of the calibration models. The composite NIRS calibration model was generated by including flies reared under all temperatures and diets. This approach permits rapid age measurement and age structure determination in large population of flies as less than or equal to 9 days, or more than 9 days old with 85-97% and 64-99% accuracy, respectively. The simplified calibration models were generated by including flies reared at 23 °C on standard diet. Low accuracy rates were observed when simplified calibration models were used to identify (a) Drosophila reared at 17 °C and 26 °C and (b) 23 °C with low calorie diet. These results strongly suggest that appropriate calibration models need to be developed in the laboratory before this technique can be reliably used in field. These calibration models should include the major environmental variables that change across space and time in the particular natural population to be studied. Copyright © 2013 Elsevier Ltd. All rights reserved.

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

PubMed Central

Qasim, Mohammad M.; Moore, Brett; Taylor, Lyssa; Honea, Patricia; Gorb, Leonid; Leszczynski, Jerzy

2007-01-01

Although much has been discovered, discussed and written as to problems of contamination by various military unique compounds, particularly by the nitrogen based energetics (NOCs), remaining problems dictate further evaluation of actual and potential risk to the environment by these energetics and their derivatives and metabolites through determination of their environmental impact—transport, fate and toxicity. This work comprises an effort to understand structural relationships and degradation mechanisms of current and emerging explosives, including nitroaromatic; cyclic and cage cyclic nitramine; and a nitrocubane. This review of our computational chemistry and spectroscopic research describes and compares competitive degradation mechanisms by free radical oxidative, reductive and alkali hydrolysis, relating them, when possible, to environmental risk.

System reliability of randomly vibrating structures: Computational modeling and laboratory testing

NASA Astrophysics Data System (ADS)

Sundar, V. S.; Ammanagi, S.; Manohar, C. S.

2015-09-01

The problem of determination of system reliability of randomly vibrating structures arises in many application areas of engineering. We discuss in this paper approaches based on Monte Carlo simulations and laboratory testing to tackle problems of time variant system reliability estimation. The strategy we adopt is based on the application of Girsanov's transformation to the governing stochastic differential equations which enables estimation of probability of failure with significantly reduced number of samples than what is needed in a direct simulation study. Notably, we show that the ideas from Girsanov's transformation based Monte Carlo simulations can be extended to conduct laboratory testing to assess system reliability of engineering structures with reduced number of samples and hence with reduced testing times. Illustrative examples include computational studies on a 10-degree of freedom nonlinear system model and laboratory/computational investigations on road load response of an automotive system tested on a four-post test rig.

Issues of organizational cybernetics and viability beyond Beer's viable systems model

NASA Astrophysics Data System (ADS)

Nechansky, Helmut

2013-11-01

The paper starts summarizing the claims of Beer's viable systems model to identify five issues any viable organizations has to deal with in an unequivocal hierarchical structure of five interrelated systems. Then the evidence is introduced for additional issues and related viable structures of organizations, which deviate from Beer's model. These issues are: (1) the establishment and (2) evolution of an organization; (3) systems for independent top-down control (like "Six Sigma"); (4) systems for independent bottom-up correction of performance problems (like "Kaizen"), both working outside a hierarchical structure; (5) pull production systems ("Just in Time") and (6) systems for checks and balances of top-level power (like boards and shareholder meetings). Based on that an evolutionary approach to organizational cybernetics is outlined, addressing the establishment of organizations and possible courses of developments, including recent developments in quality and production engineering, as well as problems of setting and changing goal values determining organizational policies.

Selection of regularization parameter for l1-regularized damage detection

NASA Astrophysics Data System (ADS)

Hou, Rongrong; Xia, Yong; Bao, Yuequan; Zhou, Xiaoqing

2018-06-01

The l1 regularization technique has been developed for structural health monitoring and damage detection through employing the sparsity condition of structural damage. The regularization parameter, which controls the trade-off between data fidelity and solution size of the regularization problem, exerts a crucial effect on the solution. However, the l1 regularization problem has no closed-form solution, and the regularization parameter is usually selected by experience. This study proposes two strategies of selecting the regularization parameter for the l1-regularized damage detection problem. The first method utilizes the residual and solution norms of the optimization problem and ensures that they are both small. The other method is based on the discrepancy principle, which requires that the variance of the discrepancy between the calculated and measured responses is close to the variance of the measurement noise. The two methods are applied to a cantilever beam and a three-story frame. A range of the regularization parameter, rather than one single value, can be determined. When the regularization parameter in this range is selected, the damage can be accurately identified even for multiple damage scenarios. This range also indicates the sensitivity degree of the damage identification problem to the regularization parameter.

Tantalum protective coatings for fusion reactor applications

NASA Astrophysics Data System (ADS)

Brossa, Francesco; Piatti, Giovanni; Bardy, Michel

Tantalum has a very low sputtering yield, high melting point, low vapour pressure and good mechanical properties at low and high temperatures, so it is a very interesting candidate for the first wall and blanket structural components. Tantalum coatings overcome the problems of fabrication and joining bulk Ta, thus reducing also dead weight and cost. Ta coatings were produced by chemical vapour deposition and plasma spraying on four conventional structural materials: Al, Cu, AISI 316 L and Inconel 600. The conditions which improve adherence have been studied. The composition of the films was determined by chemical means and by X-ray analysis. Metallographie examination was employed to define the morphological structure of the deposits. The adherence of the coatings was determined by subjecting the samples to bend tests and to thermal shocks.

The use of photogrammetric and stereophotogrammetric methods in aerodynamic experiments

NASA Astrophysics Data System (ADS)

Shmyreva, V. N.; Iakovlev, V. A.

The possibilities afforded by photogrammetry and stereophotogrammetry in current aerodynamic experiments, methods of image recording, and observation data processing are briefly reviewed. Some specific experiments illustrating the application of stereophotogrammetry are described. The applications discussed include the monitoring of model position in wind tunnels, determination of model deformations and displacements, determination of the deformations of real structural elements in static strength tests, and solution of a variety of problems in hydrodynamics.

Creative brains: designing in the real world†

PubMed Central

Goel, Vinod

2014-01-01

The process of designing artifacts is a creative activity. It is proposed that, at the cognitive level, one key to understanding design creativity is to understand the array of symbol systems designers utilize. These symbol systems range from being vague, imprecise, abstract, ambiguous, and indeterminate (like conceptual sketches), to being very precise, concrete, unambiguous, and determinate (like contract documents). The former types of symbol systems support associative processes that facilitate lateral (or divergent) transformations that broaden the problem space, while the latter types of symbol systems support inference processes facilitating vertical (or convergent) transformations that deepen of the problem space. The process of artifact design requires the judicious application of both lateral and vertical transformations. This leads to a dual mechanism model of design problem-solving comprising of an associative engine and an inference engine. It is further claimed that this dual mechanism model is supported by an interesting hemispheric dissociation in human prefrontal cortex. The associative engine and neural structures that support imprecise, ambiguous, abstract, indeterminate representations are lateralized in the right prefrontal cortex, while the inference engine and neural structures that support precise, unambiguous, determinant representations are lateralized in the left prefrontal cortex. At the brain level, successful design of artifacts requires a delicate balance between the two hemispheres of prefrontal cortex. PMID:24817846

An intelligent advisor for the design manager

NASA Technical Reports Server (NTRS)

Rogers, James L.; Padula, Sharon L.

1989-01-01

A design problem is viewed as a complex system divisible into modules. Before the design of a complex system can begin, much time and money are spent in determining the couplings among modules and the presence of iterative loops. This is important because the design manager must know how to group the modules into substems and how to assign subsystems to design teams so that changes in one subsystem will have predictable effects on other subsystems. Determining these subsystems is not an easy, straightforward process and often important couplings are overlooked. Moreover, the planning task must be repeated as new information becomes available or as the design specifications change. The purchase of this research effort is to develop a knowledge-based tool to act as an intelligent advisor for the design manager. This tool identifies the subsystems of a complex design problem, orders them into a well-structured format, and marks the couplings among the subsystems to facilitate the use of multilevel tools. The tool was tested in the decomposition of the COFS (Control of Flexible Structures) mast design which has about 50 modules. This test indicated that this type of approach could lead to a substantial savings by organizing and displaying a complex problem as a sequence of subsystems easily divisible among design teams.

Identification of pilot-vehicle dynamics from simulation and flight test

NASA Technical Reports Server (NTRS)

Hess, Ronald A.

1990-01-01

The paper discusses an identification problem in which a basic feedback control structure, or pilot control strategy, is hypothesized. Identification algorithms are employed to determine the particular form of pilot equalization in each feedback loop. It was found that both frequency- and time-domain identification techniques provide useful information.

Making Informed Decisions: The Role of Information Literacy in Ethical and Effective Engineering Design

ERIC Educational Resources Information Center

Fosmire, Michael

2017-01-01

Engineering designers must make evidence-based decisions when applying the practical tools and techniques of their discipline to human problems. Information literacy provides a structure for determining information gaps, locating appropriate and relevant information, applying that information effectively, and documenting and managing the knowledge…

Speech Motor Development: Integrating Muscles, Movements, and Linguistic Units

ERIC Educational Resources Information Center

Smith, Anne

2006-01-01

A fundamental problem for those interested in human communication is to determine how ideas and the various units of language structure are communicated through speaking. The physiological concepts involved in the control of muscle contraction and movement are theoretically distant from the processing levels and units postulated to exist in…

Professional Support for Families in Difficult Life Situations

ERIC Educational Resources Information Center

Zakirova, Venera G.; Gaysina, Guzel I.; Raykova, Elena

2016-01-01

Relevance of the problem stated in the article is determined by the presence of a significant number of families in difficult life situations who need in professional support and socio-psychological assistance. The article aims to substantiate the effectiveness of the structural-functional model of professional supporting for families in difficult…

Asian Educational Discourse: Construction of Ontological Security

ERIC Educational Resources Information Center

Khalina, Natalya V.; Kovaleva, Alla V.; Voronin, Maksim S.; Anikin, Denis V.; Valyulina, Ekaterina V.

2018-01-01

This article considers the problem of ontology security through Asian educational discourse, which is structurally determined by the process of moral self-improvement. Considered are trends in improving the management of educational system by developing the culture of quality, which is considered as the next stage of the Asian education systems…

Problem-Framing: A perspective on environmental problem-solving

NASA Astrophysics Data System (ADS)

Bardwell, Lisa V.

1991-09-01

The specter of environmental calamity calls for the best efforts of an involved public. Ironically, the way people understand the issues all too often serves to discourage and frustrate rather than motivate them to action. This article draws from problem-solving perspectives offered by cognitive psychology and conflict management to examine a framework for thinking about environmental problems that promises to help rather than hinder efforts to address them. Problem-framing emphasizes focusing on the problem definition. Since how one defines a problem determines one's understanding of and approach to that problem, being able to redefine or reframe a problem and to explore the “problem space” can help broaden the range of alternatives and solutions examined. Problem-framing incorporates a cognitive perspective on how people respond to information. It explains why an emphasis on problem definition is not part of people's typical approach to problems. It recognizes the importance of structure and of having ways to organize that information on one's problem-solving effort. Finally, problem-framing draws on both cognitive psychology and conflict management for strategies to manage information and to create a problem-solving environment that not only encourages participation but can yield better approaches to our environmental problems.

Understanding pre-mRNA splicing through crystallography.

PubMed

Espinosa, Sara; Zhang, Lingdi; Li, Xueni; Zhao, Rui

2017-08-01

Crystallography is a powerful tool to determine the atomic structures of proteins and RNAs. X-ray crystallography has been used to determine the structure of many splicing related proteins and RNAs, making major contributions to our understanding of the molecular mechanism and regulation of pre-mRNA splicing. Compared to other structural methods, crystallography has its own advantage in the high-resolution structural information it can provide and the unique biological questions it can answer. In addition, two new crystallographic methods - the serial femtosecond crystallography and 3D electron crystallography - were developed to overcome some of the limitations of traditional X-ray crystallography and broaden the range of biological problems that crystallography can solve. This review discusses the theoretical basis, instrument requirements, troubleshooting, and exciting potential of these crystallographic methods to further our understanding of pre-mRNA splicing, a critical event in gene expression of all eukaryotes. Copyright © 2017 Elsevier Inc. All rights reserved.

Data on crystal organization in the structure of the Fab fragment from the NIST reference antibody, RM 8671.

PubMed

Gallagher, D T; Karageorgos, I; Hudgens, J W; Galvin, C V

2018-02-01

The reported data describe the crystallization, crystal packing, structure determination and twinning of the unliganded Fab (antigen-binding fragment) from the NISTmAb (standard reference material 8671). The raw atomic coordinates are available as Protein Data Bank structure 5K8A and biological aspects are described in the article, (Karageorgos et al., 2017) [1]. Crystal data show that the packing is unique, and show the basis for the crystal's twinned growth. Twinning is a common and often serious problem in protein structure determination by x-ray crystallography [2]. In the present case the twinning is due to a small deviation (about 0.3 nm) from 4-fold symmetry in the primary intermolecular interface. The deviation produces pseudosymmetry, generating slightly different conformations of the protein, and alternating strong and weak forms of key packing interfaces throughout the lattice.

Wave tilt sounding of multilayered structures. [for probing of stratified planetary surface electrical properties and thickness

NASA Technical Reports Server (NTRS)

Warne, L.; Jaggard, D. L.; Elachi, C.

1979-01-01

The relationship between the wave tilt and the electrical parameters of a multilayered structure is investigated. Particular emphasis is placed on the inverse problem associated with the sounding planetary surfaces. An inversion technique, based on multifrequency wave tilt, is proposed and demonstrated with several computer models. It is determined that there is close agreement between the electrical parameters used in the models and those in the inversion values.

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

Kuz'micheva, T.N.; Mazurenok, A.M.; Eliseev, V.P.

The problem of using the chemical method for checking the airtightness of ventilation systems and containment structures with the use of indicator materials on a base of Congo red and an air-ammonia mixture as the test medium was examined. The methods and results of experimental investigations of leaks characteristic for containment structures and ventilation systems are given. Suggestions are given on a determination of the parameters of local leaks and on the practical use of the given method for evaluating the quality of sealing.

Stochastic Simulation Tool for Aerospace Structural Analysis

NASA Technical Reports Server (NTRS)

Knight, Norman F.; Moore, David F.

2006-01-01

Stochastic simulation refers to incorporating the effects of design tolerances and uncertainties into the design analysis model and then determining their influence on the design. A high-level evaluation of one such stochastic simulation tool, the MSC.Robust Design tool by MSC.Software Corporation, has been conducted. This stochastic simulation tool provides structural analysts with a tool to interrogate their structural design based on their mathematical description of the design problem using finite element analysis methods. This tool leverages the analyst's prior investment in finite element model development of a particular design. The original finite element model is treated as the baseline structural analysis model for the stochastic simulations that are to be performed. A Monte Carlo approach is used by MSC.Robust Design to determine the effects of scatter in design input variables on response output parameters. The tool was not designed to provide a probabilistic assessment, but to assist engineers in understanding cause and effect. It is driven by a graphical-user interface and retains the engineer-in-the-loop strategy for design evaluation and improvement. The application problem for the evaluation is chosen to be a two-dimensional shell finite element model of a Space Shuttle wing leading-edge panel under re-entry aerodynamic loading. MSC.Robust Design adds value to the analysis effort by rapidly being able to identify design input variables whose variability causes the most influence in response output parameters.

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

Oleinikov, A. I., E-mail: a.i.oleinikov@mail.ru; Bormotin, K. S., E-mail: cvmi@knastu.ru

It is shown that inverse problems of steady-state creep bending of plates in both the geometrically linear and nonlinear formulations can be represented in a variational formulation. Steady-state values of the obtained functionals corresponding to the solutions of the problems of inelastic deformation and springback are determined by applying a finite element procedure to the functionals. Optimal laws of creep deformation are formulated using the criterion of minimizing damage in the functionals of the inverse problems. The formulated problems are reduced to the problems solved by the finite element method using MSC.Marc software. Currently, forming of light metals poses tremendousmore » challenges due to their low ductility at room temperature and their unusual deformation characteristics at hot-cold work: strong asymmetry between tensile and compressive behavior, and a very pronounced anisotropy. We used the constitutive models of steady-state creep of initially transverse isotropy structural materials the kind of the stress state has influence. The paper gives basics of the developed computer-aided system of design, modeling, and electronic simulation targeting the processes of manufacture of wing integral panels. The modeling results can be used to calculate the die tooling, determine the panel processibility, and control panel rejection in the course of forming.« less

The Structure of Ill-Structured (and Well-Structured) Problems Revisited

ERIC Educational Resources Information Center

Reed, Stephen K.

2016-01-01

In his 1973 article "The Structure of ill structured problems", Herbert Simon proposed that solving ill-structured problems could be modeled within the same information-processing framework developed for solving well-structured problems. This claim is reexamined within the context of over 40 years of subsequent research and theoretical…

Easy way to determine quantitative spatial resolution distribution for a general inverse problem

NASA Astrophysics Data System (ADS)

An, M.; Feng, M.

2013-12-01

The spatial resolution computation of a solution was nontrivial and more difficult than solving an inverse problem. Most geophysical studies, except for tomographic studies, almost uniformly neglect the calculation of a practical spatial resolution. In seismic tomography studies, a qualitative resolution length can be indicatively given via visual inspection of the restoration of a synthetic structure (e.g., checkerboard tests). An effective strategy for obtaining quantitative resolution length is to calculate Backus-Gilbert resolution kernels (also referred to as a resolution matrix) by matrix operation. However, not all resolution matrices can provide resolution length information, and the computation of resolution matrix is often a difficult problem for very large inverse problems. A new class of resolution matrices, called the statistical resolution matrices (An, 2012, GJI), can be directly determined via a simple one-parameter nonlinear inversion performed based on limited pairs of random synthetic models and their inverse solutions. The total procedure were restricted to forward/inversion processes used in the real inverse problem and were independent of the degree of inverse skill used in the solution inversion. Spatial resolution lengths can be directly given during the inversion. Tests on 1D/2D/3D model inversion demonstrated that this simple method can be at least valid for a general linear inverse problem.

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.

1985-01-01

Theoretical models were developed capable of predicting structural response and noise transmission to random point mechanical loads. Fiber reinforced composite and aluminum materials were considered. Cylindrical shells and circular plates were taken as typical representatives of structural components for space station habitability modules. Analytical formulations include double wall and single wall constructions. Pressurized and unpressurized models were considered. Parametric studies were conducted to determine the effect on structural response and noise transmission due to fiber orientation, point load location, damping in the core and the main load carrying structure, pressurization, interior acoustic absorption, etc. These analytical models could serve as preliminary tools for assessing noise related problems, for space station applications.

A discrete search algorithm for finding the structure of protein backbones and side chains.

PubMed

Sallaume, Silas; Martins, Simone de Lima; Ochi, Luiz Satoru; Da Silva, Warley Gramacho; Lavor, Carlile; Liberti, Leo

2013-01-01

Some information about protein structure can be obtained by using Nuclear Magnetic Resonance (NMR) techniques, but they provide only a sparse set of distances between atoms in a protein. The Molecular Distance Geometry Problem (MDGP) consists in determining the three-dimensional structure of a molecule using a set of known distances between some atoms. Recently, a Branch and Prune (BP) algorithm was proposed to calculate the backbone of a protein, based on a discrete formulation for the MDGP. We present an extension of the BP algorithm that can calculate not only the protein backbone, but the whole three-dimensional structure of proteins.

Effects of Social Determinants on Chinese Immigrant Food Service Workers' Work Performance and Injuries: Mental Health as a Mediator.

PubMed

Tsai, Jenny Hsin-Chun; Thompson, Elaine Adams

2015-07-01

The effects of social discrimination, job concerns, and social support on worker mental health and the influence of mental health on occupational health outcomes have been documented intermittently. We propose an integrated, theory-driven model to distinguish the impact of social determinants on work performance and injuries and the mediating effects of mental health problems. The US Chinese immigrant food service workers (N = 194) completed a multimeasure interview; we tested the integrated model using structural equation modeling. Mental health problems, which were associated with decreased work performance and increased injuries, also mediated relationships between job/employment concerns and both work performance and injuries but did not mediate the influences of discrimination and social support. This research reveals mechanisms by which social determinants influence immigrant worker health, pointing to complementary strategies for reducing occupational health disparities.

Reverse engineering a social agent-based hidden markov model--visage.

PubMed

Chen, Hung-Ching Justin; Goldberg, Mark; Magdon-Ismail, Malik; Wallace, William A

2008-12-01

We present a machine learning approach to discover the agent dynamics that drives the evolution of the social groups in a community. We set up the problem by introducing an agent-based hidden Markov model for the agent dynamics: an agent's actions are determined by micro-laws. Nonetheless, We learn the agent dynamics from the observed communications without knowing state transitions. Our approach is to identify the appropriate micro-laws corresponding to an identification of the appropriate parameters in the model. The model identification problem is then formulated as a mixed optimization problem. To solve the problem, we develop a multistage learning process for determining the group structure, the group evolution, and the micro-laws of a community based on the observed set of communications among actors, without knowing the semantic contents. Finally, to test the quality of our approximations and the feasibility of the approach, we present the results of extensive experiments on synthetic data as well as the results on real communities, such as Enron email and Movie newsgroups. Insight into agent dynamics helps us understand the driving forces behind social evolution.

Student generated learning objectives: extent of congruence with faculty set objectives and factors influencing their generation.

PubMed

Abdul Ghaffar Al-Shaibani, Tarik A; Sachs-Robertson, Annette; Al Shazali, Hafiz O; Sequeira, Reginald P; Hamdy, Hosam; Al-Roomi, Khaldoon

2003-07-01

A problem-based learning strategy is used for curriculum planning and implementation at the Arabian Gulf University, Bahrain. Problems are constructed in a way that faculty-set objectives are expected to be identified by students during tutorials. Students in small groups, along with a tutor functioning as a facilitator, identify learning issues and define their learning objectives. We compared objectives identified by student groups with faculty-set objectives to determine extent of congruence, and identified factors that influenced students' ability at identifying faculty-set objectives. Male and female students were segregated and randomly grouped. A faculty tutor was allocated for each group. This study was based on 13 problems given to entry-level medical students. Pooled objectives of these problems were classified into four categories: structural, functional, clinical and psychosocial. Univariate analysis of variance was used for comparison, and a p > 0.05 was considered significant. The mean of overall objectives generated by the students was 54.2%, for each problem. Students identified psychosocial learning objectives more readily than structural ones. Female students identified more psychosocial objectives, whereas male students identified more of structural objectives. Tutor characteristics such as medical/non-medical background, and the years of teaching were correlated with categories of learning issues identified. Students identify part of the faculty-set learning objectives during tutorials with a faculty tutor acting as a facilitator. Students' gender influences types of learning issues identified. Content expertise of tutors does not influence identification of learning needs by students.

Third Structure Determination by Powder Diffractometery Round Robin (SDPDRR-3)

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

Le Bail, A.; Cranswick, L; Adil, K

2009-01-01

The results from a third structure determination by powder diffractometry (SDPD) round robin are discussed. From the 175 potential participants having downloaded the powder data, nine sent a total of 12 solutions (8 and 4 for samples 1 and 2, respectively, a tetrahydrated calcium tartrate and a lanthanum tungstate). Participants used seven different computer programs for structure solution (ESPOIR, EXPO, FOX, PSSP, SHELXS, SUPERFLIP, and TOPAS), applying Patterson, direct methods, direct space methods, and charge flipping approach. It is concluded that solving a structure from powder data remains a challenge, at least one order of magnitude more difficult than solvingmore » a problem with similar complexity from single-crystal data. Nevertheless, a few more steps in the direction of increasing the SDPD rate of success were accomplished since the two previous round robins: this time, not only the computer program developers were successful but also some users. No result was obtained from crystal structure prediction experts.« less

Chemical Approaches for Structure and Function of RNA in Postgenomic Era

PubMed Central

Ro-Choi, Tae Suk; Choi, Yong Chun

2012-01-01

In the study of cellular RNA chemistry, a major thrust of research focused upon sequence determinations for decades. Structures of snRNAs (4.5S RNA I (Alu), U1, U2, U3, U4, U5, and U6) were determined at Baylor College of Medicine, Houston, Tex, in an earlier time of pregenomic era. They show novel modifications including base methylation, sugar methylation, 5′-cap structures (types 0–III) and sequence heterogeneity. This work offered an exciting problem of posttranscriptional modification and underwent numerous significant advances through technological revolutions during pregenomic, genomic, and postgenomic eras. Presently, snRNA research is making progresses involved in enzymology of snRNA modifications, molecular evolution, mechanism of spliceosome assembly, chemical mechanism of intron removal, high-order structure of snRNA in spliceosome, and pathology of splicing. These works are destined to reach final pathway of work “Function and Structure of Spliceosome” in addition to exciting new exploitation of other noncoding RNAs in all aspects of regulatory functions. PMID:22347623

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry

DOE PAGES

Ophus, Colin; Ciston, Jim; Pierce, Jordan; ...

2016-02-29

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, makingmore » it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Ultimately, simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals.« less

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry.

PubMed

Ophus, Colin; Ciston, Jim; Pierce, Jordan; Harvey, Tyler R; Chess, Jordan; McMorran, Benjamin J; Czarnik, Cory; Rose, Harald H; Ercius, Peter

2016-02-29

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, making it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals.

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry

PubMed Central

Ophus, Colin; Ciston, Jim; Pierce, Jordan; Harvey, Tyler R.; Chess, Jordan; McMorran, Benjamin J.; Czarnik, Cory; Rose, Harald H.; Ercius, Peter

2016-01-01

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, making it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals. PMID:26923483

On vital aid: the why, what and how of validation

PubMed Central

Kleywegt, Gerard J.

2009-01-01

Limitations to the data and subjectivity in the structure-determination process may cause errors in macromolecular crystal structures. Appropriate validation techniques may be used to reveal problems in structures, ideally before they are analysed, published or deposited. Additionally, such tech­niques may be used a posteriori to assess the (relative) merits of a model by potential users. Weak validation methods and statistics assess how well a model reproduces the information that was used in its construction (i.e. experimental data and prior knowledge). Strong methods and statistics, on the other hand, test how well a model predicts data or information that were not used in the structure-determination process. These may be data that were excluded from the process on purpose, general knowledge about macromolecular structure, information about the biological role and biochemical activity of the molecule under study or its mutants or complexes and predictions that are based on the model and that can be tested experimentally. PMID:19171968

Revisiting the NMR structure of the ultrafast downhill folding protein gpW from bacteriophage λ.

PubMed

Sborgi, Lorenzo; Verma, Abhinav; Muñoz, Victor; de Alba, Eva

2011-01-01

GpW is a 68-residue protein from bacteriophage λ that participates in virus head morphogenesis. Previous NMR studies revealed a novel α+β fold for this protein. Recent experiments have shown that gpW folds in microseconds by crossing a marginal free energy barrier (i.e., downhill folding). These features make gpW a highly desirable target for further experimental and computational folding studies. As a step in that direction, we have re-determined the high-resolution structure of gpW by multidimensional NMR on a construct that eliminates the purification tags and unstructured C-terminal tail present in the prior study. In contrast to the previous work, we have obtained a full manual assignment and calculated the structure using only unambiguous distance restraints. This new structure confirms the α+β topology, but reveals important differences in tertiary packing. Namely, the two α-helices are rotated along their main axis to form a leucine zipper. The β-hairpin is orthogonal to the helical interface rather than parallel, displaying most tertiary contacts through strand 1. There also are differences in secondary structure: longer and less curved helices and a hairpin that now shows the typical right-hand twist. Molecular dynamics simulations starting from both gpW structures, and calculations with CS-Rosetta, all converge to our gpW structure. This confirms that the original structure has strange tertiary packing and strained secondary structure. A comparison of NMR datasets suggests that the problems were mainly caused by incomplete chemical shift assignments, mistakes in NOE assignment and the inclusion of ambiguous distance restraints during the automated procedure used in the original study. The new gpW corrects these problems, providing the appropriate structural reference for future work. Furthermore, our results are a cautionary tale against the inclusion of ambiguous experimental information in the determination of protein structures.

Changes in the state of heat-resistant steel induced by repeated hot deformation

NASA Astrophysics Data System (ADS)

Lyubimova, Lyudmila L.; Fisenko, Roman N.; Tashlykov, Alexander A.; Tabakaev, Roman B.

2018-01-01

This work deals with the problems of structural regeneration by thermal restoration treatment (TRT). These include the lack of a structural sign showing that TRT is possible, a consensus on TRT modes, the data on the necessary relaxation depth of residual stresses, or criteria of structural restoration. Performing a TRT without solving these problems may deteriorate the properties of steel or even accelerate its destruction. With this in view, the purpose of this work is to determine experimentally how the residual stress state changes under thermal and mechanical loads in order to specify the signs of the restoration of structure and structural stability. The object of this research is unused 12Cr1MoV steel that has been aged naturally for 13 years. Using X-ray dosimetry with X-ray spectral analysis, we study the distribution of internal residual stresses of the first kind during the repeated hot deformation. After repeated thermal deformation, the sample under study transforms from a viscoelastic Maxwell material into a Kelvin-Voigt material, which facilitates structural stabilization. A sign of this is the relaxation limit increase, prevention of continuous decay of an α-solid solution of iron and restoration of the lattice parameter.

Design and Analysis Tools for Concurrent Blackboard Systems

NASA Technical Reports Server (NTRS)

McManus, John W.

1991-01-01

A blackboard system consists of a set of knowledge sources, a blackboard data structure, and a control strategy used to activate the knowledge sources. The blackboard model of problem solving is best described by Dr. H. Penny Nii of the Stanford University AI Laboratory: "A Blackboard System can be viewed as a collection of intelligent agents who are gathered around a blackboard, looking at pieces of information written on it, thinking about the current state of the solution, and writing their conclusions on the blackboard as they generate them. " The blackboard is a centralized global data structure, often partitioned in a hierarchical manner, used to represent the problem domain. The blackboard is also used to allow inter-knowledge source communication and acts as a shared memory visible to all of the knowledge sources. A knowledge source is a highly specialized, highly independent process that takes inputs from the blackboard data structure, performs a computation, and places the results of the computation in the blackboard data structure. This design allows for an opportunistic control strategy. The opportunistic problem-solving technique allows a knowledge source to contribute towards the solution of the current problem without knowing which of the other knowledge sources will use the information. The use of opportunistic problem-solving allows the data transfers on the blackboard to determine which processes are active at a given time. Designing and developing blackboard systems is a difficult process. The designer is trying to balance several conflicting goals and achieve a high degree of concurrent knowledge source execution while maintaining both knowledge and semantic consistency on the blackboard. Blackboard systems have not attained their apparent potential because there are no established tools or methods to guide in their construction or analyze their performance.

Parton distributions in the LHC era

NASA Astrophysics Data System (ADS)

Del Debbio, Luigi

2018-03-01

Analyses of LHC (and other!) experiments require robust and statistically accurate determinations of the structure of the proton, encoded in the parton distribution functions (PDFs). The standard description of hadronic processes relies on factorization theorems, which allow a separation of process-dependent short-distance physics from the universal long-distance structure of the proton. Traditionally the PDFs are obtained from fits to experimental data. However, understanding the long-distance properties of hadrons is a nonperturbative problem, and lattice QCD can play a role in providing useful results from first principles. In this talk we compare the different approaches used to determine PDFs, and try to assess the impact of existing, and future, lattice calculations.

Parallel algorithms for the molecular conformation problem

NASA Astrophysics Data System (ADS)

Rajan, Kumar

Given a set of objects, and some of the pairwise distances between them, the problem of identifying the positions of the objects in the Euclidean space is referred to as the molecular conformation problem. This problem is known to be computationally difficult. One of the most important applications of this problem is the determination of the structure of molecules. In the case of molecular structure determination, usually only the lower and upper bounds on some of the interatomic distances are available. The process of obtaining a tighter set of bounds between all pairs of atoms, using the available interatomic distance bounds is referred to as bound-smoothing . One method for bound-smoothing is to use the limits imposed by the triangle inequality. The distance bounds so obtained can often be tightened further by applying the tetrangle inequality---the limits imposed on the six pairwise distances among a set of four atoms (instead of three for the triangle inequalities). The tetrangle inequality is expressed by the Cayley-Menger determinants. The sequential tetrangle-inequality bound-smoothing algorithm considers a quadruple of atoms at a time, and tightens the bounds on each of its six distances. The sequential algorithm is computationally expensive, and its application is limited to molecules with up to a few hundred atoms. Here, we conduct an experimental study of tetrangle-inequality bound-smoothing and reduce the sequential time by identifying the most computationally expensive portions of the process. We also present a simple criterion to determine which of the quadruples of atoms are likely to be tightened the most by tetrangle-inequality bound-smoothing. This test could be used to enhance the applicability of this process to large molecules. We map the problem of parallelizing tetrangle-inequality bound-smoothing to that of generating disjoint packing designs of a certain kind. We map this, in turn, to a regular-graph coloring problem, and present a simple, parallel algorithm for tetrangle-inequality bound-smoothing. We implement the parallel algorithm on the Intel Paragon X/PS, and apply it to real-life molecules. Our results show that with this parallel algorithm, tetrangle inequality can be applied to large molecules in a reasonable amount of time. We extend the regular graph to represent more general packing designs, and present a coloring algorithm for this graph. This can be used to generate constant-weight binary codes in parallel. Once a tighter set of distance bounds is obtained, the molecular conformation problem is usually formulated as a non-linear optimization problem, and a global optimization algorithm is then used to solve the problem. Here we present a parallel, deterministic algorithm for the optimization problem based on Interval Analysis. We implement our algorithm, using dynamic load balancing, on a network of Sun Ultra-Sparc workstations. Our experience with this algorithm shows that its application is limited to small instances of the molecular conformation problem, where the number of measured, pairwise distances is close to the maximum value. However, since the interval method eliminates a substantial portion of the initial search space very quickly, it can be used to prune the search space before any of the more efficient, nondeterministic methods can be applied.

Innovative design of composite structures: Further studies in the use of a curvilinear fiber format to improve structural efficiency

NASA Technical Reports Server (NTRS)

Hyer, Michael W.; Charette, Robert F.

1988-01-01

Further studies to determine the potential for using a curvilinear fiber format in the design of composite laminates are reported. The curvilinear format is in contrast to the current practice of having the fibers aligned parallel to each other and in a straight line. The problem of a plate with a central circular hole is used as a candidate problem for this study. The study concludes that for inplane tensile loading the curvilinear format is superior. The limited results to date on compression buckling loads indicate that the curvilinear designs are poorer in resistant buckling. However, for the curvilinear design of interest, the reduction in buckling load is minimal and so overall there is a gain in considering the curvilinear design.

Design loads and uncertainties for the transverse strength of ships

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

Pittaluga, A.

1995-12-31

Rational design of ship structures is becoming a reality, and a reliability based approach for the longitudinal strength assessment of ship hulls is close to implementation. Transverse strength of ships is a step behind, mainly due to the complexity of the collapse modes associated with transverse strength. Nevertheless, some investigations are being made and the importance of an acceptable stochastic model for the environmental demand on the transverse structures is widely recognized. In the paper, the problem of the determination of the sea loads on a transverse section of a ship is discussed. The problem of extrapolating the calculated results,more » which are relevant to the submerged portion of the hull, to areas which are only occasionally wet in extreme conditions is also addressed.« less

Graph theory approach to the eigenvalue problem of large space structures

NASA Technical Reports Server (NTRS)

Reddy, A. S. S. R.; Bainum, P. M.

1981-01-01

Graph theory is used to obtain numerical solutions to eigenvalue problems of large space structures (LSS) characterized by a state vector of large dimensions. The LSS are considered as large, flexible systems requiring both orientation and surface shape control. Graphic interpretation of the determinant of a matrix is employed to reduce a higher dimensional matrix into combinations of smaller dimensional sub-matrices. The reduction is implemented by means of a Boolean equivalent of the original matrices formulated to obtain smaller dimensional equivalents of the original numerical matrix. Computation time becomes less and more accurate solutions are possible. An example is provided in the form of a free-free square plate. Linearized system equations and numerical values of a stiffness matrix are presented, featuring a state vector with 16 components.

Implementation of a partitioned algorithm for simulation of large CSI problems

NASA Technical Reports Server (NTRS)

Alvin, Kenneth F.; Park, K. C.

1991-01-01

The implementation of a partitioned numerical algorithm for determining the dynamic response of coupled structure/controller/estimator finite-dimensional systems is reviewed. The partitioned approach leads to a set of coupled first and second-order linear differential equations which are numerically integrated with extrapolation and implicit step methods. The present software implementation, ACSIS, utilizes parallel processing techniques at various levels to optimize performance on a shared-memory concurrent/vector processing system. A general procedure for the design of controller and filter gains is also implemented, which utilizes the vibration characteristics of the structure to be solved. Also presented are: example problems; a user's guide to the software; the procedures and algorithm scripts; a stability analysis for the algorithm; and the source code for the parallel implementation.

Elasticity solutions for a class of composite laminate problems with stress singularities

NASA Technical Reports Server (NTRS)

Wang, S. S.

1983-01-01

A study on the fundamental mechanics of fiber-reinforced composite laminates with stress singularities is presented. Based on the theory of anisotropic elasticity and Lekhnitskii's complex-variable stress potentials, a system of coupled governing partial differential equations are established. An eigenfunction expansion method is introduced to determine the orders of stress singularities in composite laminates with various geometric configurations and material systems. Complete elasticity solutions are obtained for this class of singular composite laminate mechanics problems. Homogeneous solutions in eigenfunction series and particular solutions in polynomials are presented for several cases of interest. Three examples are given to illustrate the method of approach and the basic nature of the singular laminate elasticity solutions. The first problem is the well-known laminate free-edge stress problem, which has a rather weak stress singularity. The second problem is the important composite delamination problem, which has a strong crack-tip stress singularity. The third problem is the commonly encountered bonded composite joints, which has a complex solution structure with moderate orders of stress singularities.

Institutional analysis of milkfish supply chain using interpretive structural modelling (ISM) (case study of UD. Bunda Foods, Sidoarjo District)

NASA Astrophysics Data System (ADS)

Silalahi, R. L. R.; Mustaniroh, S. A.; Ikasari, D. M.; Sriulina, R. P.

2018-03-01

UD. Bunda Foods is an SME located in the district of Sidoarjo. UD. Bunda Foods has problems of maintaining its milkfish’s quality assurance and developing marketing strategies. Improving those problems enables UD. Bunda Foods to compete with other similar SMEs and to market its product for further expansion of their business. The objectives of this study were to determine the model of the institutional structure of the milkfish supply chain, to determine the elements, the sub-elements, and the relationship among each element. The method used in this research was Interpretive Structural Modeling (ISM), involving 5 experts as respondents consisting of 1 practitioner, 1 academician, and 3 government organisation employees. The results showed that there were two key elements include requirement and goals elements. Based on the Drive Power-Dependence (DP-D) matrix, the key sub-elements of requirement element, consisted of raw material continuity, appropriate marketing strategy, and production capital, were positioned in the Linkage sector quadrant. The DP-D matrix for the key sub-elements of the goal element also showed a similar position. The findings suggested several managerial implications to be carried out by UD. Bunda Foods include establishing good relationships with all involved institutions, obtaining capital assistance, and attending the marketing training provided by the government.

Classification of the College Instructor's Professional and Personal Competencies

ERIC Educational Resources Information Center

Isaeva, T. E.

2007-01-01

At the beginning of the twenty-first century, the issue of the instructor's professional and personal competencies has taken on features not previously characteristic of it. The problem of determining the content and structuring of the professional and personal competencies of instructors in higher education is conditioned not only by social,…

Factors Affecting Student Retention in Online Courses: Overcoming This Critical Problem

ERIC Educational Resources Information Center

Gaytan, Jorge

2013-01-01

The purpose of this study was to determine what a panel of 15 experts would identify as critical factors affecting student retention in online courses that will serve as implications for educational leaders to guide their student retention strategies, online organizational structures, institutional policies, and online instructional activities. A…

Characterization of prototype secondary lithium battery

NASA Technical Reports Server (NTRS)

Somoano, R.

1980-01-01

The performance characteristics of ambient temperature secondary lithium batteries were determined through continuous cycle tests with periodic current and voltage measurements. Cycle life of the lithium anode was found to be an important problem area as was the formation of dentrite breakage and subsequent shorting. Energy density was increased by using more efficient cathode structures.

Effects of risk attitudes on extended attack fire management decisionmaking

Treesearch

Donald G. MacGregor; Armando González-Cabán

2009-01-01

Fire management inherently involves the assessment and management of risk, and decision making under uncertainty. Although organizational standards and guides are an important determinant of how decision problems are structured and framed, decision makers may view risk-based decisions from a perspective that is unique to their background and experience. Previous...

Genetic algorithm-based multi-objective optimal absorber system for three-dimensional seismic structures

NASA Astrophysics Data System (ADS)

Ren, Wenjie; Li, Hongnan; Song, Gangbing; Huo, Linsheng

2009-03-01

The problem of optimizing an absorber system for three-dimensional seismic structures is addressed. The objective is to determine the number and position of absorbers to minimize the coupling effects of translation-torsion of structures at minimum cost. A procedure for a multi-objective optimization problem is developed by integrating a dominance-based selection operator and a dominance-based penalty function method. Based on the two-branch tournament genetic algorithm, the selection operator is constructed by evaluating individuals according to their dominance in one run. The technique guarantees the better performing individual winning its competition, provides a slight selection pressure toward individuals and maintains diversity in the population. Moreover, due to the evaluation for individuals in each generation being finished in one run, less computational effort is taken. Penalty function methods are generally used to transform a constrained optimization problem into an unconstrained one. The dominance-based penalty function contains necessary information on non-dominated character and infeasible position of an individual, essential for success in seeking a Pareto optimal set. The proposed approach is used to obtain a set of non-dominated designs for a six-storey three-dimensional building with shape memory alloy dampers subjected to earthquake.

Thermal control requirements for large space structures

NASA Technical Reports Server (NTRS)

Manoff, M.

1978-01-01

Performance capabilities and weight requirements of large space structure systems will be significantly influenced by thermal response characteristics. Analyses have been performed to determine temperature levels and gradients for structural configurations and elemental concepts proposed for advanced system applications ranging from relatively small, low-power communication antennas to extremely large, high-power Satellite Power Systems (SPS). Results are presented for selected platform configurations, candidate strut elements, and potential mission environments. The analyses also incorporate material and surface optical property variation. The results illustrate many of the thermal problems which may be encountered in the development of three systems.

Protein classification using sequential pattern mining.

PubMed

Exarchos, Themis P; Papaloukas, Costas; Lampros, Christos; Fotiadis, Dimitrios I

2006-01-01

Protein classification in terms of fold recognition can be employed to determine the structural and functional properties of a newly discovered protein. In this work sequential pattern mining (SPM) is utilized for sequence-based fold recognition. One of the most efficient SPM algorithms, cSPADE, is employed for protein primary structure analysis. Then a classifier uses the extracted sequential patterns for classifying proteins of unknown structure in the appropriate fold category. The proposed methodology exhibited an overall accuracy of 36% in a multi-class problem of 17 candidate categories. The classification performance reaches up to 65% when the three most probable protein folds are considered.

In Search of Grid Converged Solutions

NASA Technical Reports Server (NTRS)

Lockard, David P.

2010-01-01

Assessing solution error continues to be a formidable task when numerically solving practical flow problems. Currently, grid refinement is the primary method used for error assessment. The minimum grid spacing requirements to achieve design order accuracy for a structured-grid scheme are determined for several simple examples using truncation error evaluations on a sequence of meshes. For certain methods and classes of problems, obtaining design order may not be sufficient to guarantee low error. Furthermore, some schemes can require much finer meshes to obtain design order than would be needed to reduce the error to acceptable levels. Results are then presented from realistic problems that further demonstrate the challenges associated with using grid refinement studies to assess solution accuracy.

Discovering interesting molecular substructures for molecular classification.

PubMed

Lam, Winnie W M; Chan, Keith C C

2010-06-01

Given a set of molecular structure data preclassified into a number of classes, the molecular classification problem is concerned with the discovering of interesting structural patterns in the data so that "unseen" molecules not originally in the dataset can be accurately classified. To tackle the problem, interesting molecular substructures have to be discovered and this is done typically by first representing molecular structures in molecular graphs, and then, using graph-mining algorithms to discover frequently occurring subgraphs in them. These subgraphs are then used to characterize different classes for molecular classification. While such an approach can be very effective, it should be noted that a substructure that occurs frequently in one class may also does occur in another. The discovering of frequent subgraphs for molecular classification may, therefore, not always be the most effective. In this paper, we propose a novel technique called mining interesting substructures in molecular data for classification (MISMOC) that can discover interesting frequent subgraphs not just for the characterization of a molecular class but also for the distinguishing of it from the others. Using a test statistic, MISMOC screens each frequent subgraph to determine if they are interesting. For those that are interesting, their degrees of interestingness are determined using an information-theoretic measure. When classifying an unseen molecule, its structure is then matched against the interesting subgraphs in each class and a total interestingness measure for the unseen molecule to be classified into a particular class is determined, which is based on the interestingness of each matched subgraphs. The performance of MISMOC is evaluated using both artificial and real datasets, and the results show that it can be an effective approach for molecular classification.

Best possible medication history for hemodialysis patients obtained by a pharmacy technician.

PubMed

Leung, Marianna; Jung, Joanne; Lau, Wynnie; Kiaii, Mercedeh; Jung, Beverly

2009-09-01

Outpatients undergoing hemodialysis are at high risk for adverse drug events. Limited resources make it challenging for pharmacists to routinely obtain a best possible medication history (BPMH). The primary objective was to determine whether, for patients undergoing hemodialysis, a pharmacy technician has the skills to obtain a BPMH that would allow a pharmacist to identify drug-related problems. The secondary objectives were to determine the number and types of medication discrepancies and drug-related problems identified and the time required by the technician to complete the BPMH. All patients treated in the hemodialysis unit during the study period were included, except for those who required an interpreter or were unable to participate in an in-person interview. A single technician was taught how to interview patients according to a structured format. For each patient, the technician's BMPH was verified by a pharmacist. The agreement rate between technician and pharmacists was determined, along with the number and types of discrepancies and drug-related problems identified. The technician interviewed 99 patients. Of the 1334 medication orders reviewed, the technician and pharmacists agreed on all but 15 (agreement rate 98.9%). A total of 358 medication discrepancies were noted for 93 patients (3.8 discrepancies per patient). Of these, 210 (59%) were undocumented intentional discrepancies, and 148 (41%) were unintentional discrepancies (most commonly errors of commission). Of the 135 drug-related problems identified, the majority involved dosing problems or nonadherence. The technician required an average of 17 min for each interview. An adequately trained technician was capable of interviewing patients to create a BPMH. A variety of medication discrepancies and drug-related problems were identified. Generation of a BPMH by a technician is a useful approach allowing pharmacists to identify drug-related problems.

Best Possible Medication History for Hemodialysis Patients Obtained by a Pharmacy Technician

PubMed Central

Leung, Marianna; Jung, Joanne; Lau, Wynnie; Kiaii, Mercedeh; Jung, Beverly

2009-01-01

Background: Outpatients undergoing hemodialysis are at high risk for adverse drug events. Limited resources make it challenging for pharmacists to routinely obtain a best possible medication history (BPMH). Objectives: The primary objective was to determine whether, for patients undergoing hemodialysis, a pharmacy technician has the skills to obtain a BPMH that would allow a pharmacist to identify drug-related problems. The secondary objectives were to determine the number and types of medication discrepancies and drug-related problems identified and the time required by the technician to complete the BPMH. Methods: All patients treated in the hemodialysis unit during the study period were included, except for those who required an interpreter or were unable to participate in an in-person interview. A single technician was taught how to interview patients according to a structured format. For each patient, the technician’s BMPH was verified by a pharmacist. The agreement rate between technician and pharmacists was determined, along with the number and types of discrepancies and drug-related problems identified. Results: The technician interviewed 99 patients. Of the 1334 medication orders reviewed, the technician and pharmacists agreed on all but 15 (agreement rate 98.9%). A total of 358 medication discrepancies were noted for 93 patients (3.8 discrepancies per patient). Of these, 210 (59%) were undocumented intentional discrepancies, and 148 (41%) were unintentional discrepancies (most commonly errors of commission). Of the 135 drug-related problems identified, the majority involved dosing problems or nonadherence. The technician required an average of 17 min for each interview. Conclusion: An adequately trained technician was capable of interviewing patients to create a BPMH. A variety of medication discrepancies and drug-related problems were identified. Generation of a BPMH by a technician is a useful approach allowing pharmacists to identify drug-related problems. PMID:22478921

Implication of the cause of differences in 3D structures of proteins with high sequence identity based on analyses of amino acid sequences and 3D structures.

PubMed

Matsuoka, Masanari; Sugita, Masatake; Kikuchi, Takeshi

2014-09-18

Proteins that share a high sequence homology while exhibiting drastically different 3D structures are investigated in this study. Recently, artificial proteins related to the sequences of the GA and IgG binding GB domains of human serum albumin have been designed. These artificial proteins, referred to as GA and GB, share 98% amino acid sequence identity but exhibit different 3D structures, namely, a 3α bundle versus a 4β + α structure. Discriminating between their 3D structures based on their amino acid sequences is a very difficult problem. In the present work, in addition to using bioinformatics techniques, an analysis based on inter-residue average distance statistics is used to address this problem. It was hard to distinguish which structure a given sequence would take only with the results of ordinary analyses like BLAST and conservation analyses. However, in addition to these analyses, with the analysis based on the inter-residue average distance statistics and our sequence tendency analysis, we could infer which part would play an important role in its structural formation. The results suggest possible determinants of the different 3D structures for sequences with high sequence identity. The possibility of discriminating between the 3D structures based on the given sequences is also discussed.

The general linear inverse problem - Implication of surface waves and free oscillations for earth structure.

NASA Technical Reports Server (NTRS)

Wiggins, R. A.

1972-01-01

The discrete general linear inverse problem reduces to a set of m equations in n unknowns. There is generally no unique solution, but we can find k linear combinations of parameters for which restraints are determined. The parameter combinations are given by the eigenvectors of the coefficient matrix. The number k is determined by the ratio of the standard deviations of the observations to the allowable standard deviations in the resulting solution. Various linear combinations of the eigenvectors can be used to determine parameter resolution and information distribution among the observations. Thus we can determine where information comes from among the observations and exactly how it constraints the set of possible models. The application of such analyses to surface-wave and free-oscillation observations indicates that (1) phase, group, and amplitude observations for any particular mode provide basically the same type of information about the model; (2) observations of overtones can enhance the resolution considerably; and (3) the degree of resolution has generally been overestimated for many model determinations made from surface waves.

NMR studies of protein-nucleic acid interactions.

PubMed

Varani, Gabriele; Chen, Yu; Leeper, Thomas C

2004-01-01

Protein-DNA and protein-RNA complexes play key functional roles in every living organism. Therefore, the elucidation of their structure and dynamics is an important goal of structural and molecular biology. Nuclear magnetic resonance (NMR) studies of protein and nucleic acid complexes have common features with studies of protein-protein complexes: the interaction surfaces between the molecules must be carefully delineated, the relative orientation of the two species needs to be accurately and precisely determined, and close intermolecular contacts defined by nuclear Overhauser effects (NOEs) must be obtained. However, differences in NMR properties (e.g., chemical shifts) and biosynthetic pathways for sample productions generate important differences. Chemical shift differences between the protein and nucleic acid resonances can aid the NMR structure determination process; however, the relatively limited dispersion of the RNA ribose resonances makes the process of assigning intermolecular NOEs more difficult. The analysis of the resulting structures requires computational tools unique to nucleic acid interactions. This chapter summarizes the most important elements of the structure determination by NMR of protein-nucleic acid complexes and their analysis. The main emphasis is on recent developments (e.g., residual dipolar couplings and new Web-based analysis tools) that have facilitated NMR studies of these complexes and expanded the type of biological problems to which NMR techniques of structural elucidation can now be applied.

Determination of atomic vacancies in InAs/GaSb strained-layer superlattices by atomic strain

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

Kim, Honggyu; Meng, Yifei; Kwon, Ji-Hwan

Determining vacancy in complex crystals or nanostructures represents an outstanding crystallographic problem that has a large impact on technology, especially for semiconductors, where vacancies introduce defect levels and modify the electronic structure. However, vacancy is hard to locate and its structure is difficult to probe experimentally. Reported here are atomic vacancies in the InAs/GaSb strained-layer superlattice (SLS) determined by atomic-resolution strain mapping at picometre precision. It is shown that cation and anion vacancies in the InAs/GaSb SLS give rise to local lattice relaxations, especially the nearest atoms, which can be detected using a statistical method and confirmed by simulation. Themore » ability to map vacancy defect-induced strain and identify its location represents significant progress in the study of vacancy defects in compound semiconductors.« less

Determination of atomic vacancies in InAs/GaSb strained-layer superlattices by atomic strain

DOE PAGES

Kim, Honggyu; Meng, Yifei; Kwon, Ji-Hwan; ...

2018-01-01

Determining vacancy in complex crystals or nanostructures represents an outstanding crystallographic problem that has a large impact on technology, especially for semiconductors, where vacancies introduce defect levels and modify the electronic structure. However, vacancy is hard to locate and its structure is difficult to probe experimentally. Reported here are atomic vacancies in the InAs/GaSb strained-layer superlattice (SLS) determined by atomic-resolution strain mapping at picometre precision. It is shown that cation and anion vacancies in the InAs/GaSb SLS give rise to local lattice relaxations, especially the nearest atoms, which can be detected using a statistical method and confirmed by simulation. Themore » ability to map vacancy defect-induced strain and identify its location represents significant progress in the study of vacancy defects in compound semiconductors.« less

Developments in boundary element methods - 2

NASA Astrophysics Data System (ADS)

Banerjee, P. K.; Shaw, R. P.

This book is a continuation of the effort to demonstrate the power and versatility of boundary element methods which began in Volume 1 of this series. While Volume 1 was designed to introduce the reader to a selected range of problems in engineering for which the method has been shown to be efficient, the present volume has been restricted to time-dependent problems in engineering. Boundary element formulation for melting and solidification problems in considered along with transient flow through porous elastic media, applications of boundary element methods to problems of water waves, and problems of general viscous flow. Attention is given to time-dependent inelastic deformation of metals by boundary element methods, the determination of eigenvalues by boundary element methods, transient stress analysis of tunnels and caverns of arbitrary shape due to traveling waves, an analysis of hydrodynamic loads by boundary element methods, and acoustic emissions from submerged structures.

Solving the nanostructure problem: exemplified on metallic alloy nanoparticles

NASA Astrophysics Data System (ADS)

Petkov, Valeri; Prasai, Binay; Ren, Yang; Shan, Shiyao; Luo, Jin; Joseph, Pharrah; Zhong, Chuan-Jian

2014-08-01

With current technology moving rapidly toward smaller scales nanometer-size materials, hereafter called nanometer-size particles (NPs), are being produced in increasing numbers and explored for various useful applications ranging from photonics and catalysis to detoxification of wastewater and cancer therapy. Nature also is a prolific producer of useful NPs. Evidence can be found in ores on the ocean floor, minerals and soils on land and in the human body that, when water is excluded, is mostly made of proteins that are 6-10 nm in size and globular in shape. Precise knowledge of the 3D atomic-scale structure, that is how atoms are arranged in space, is a crucial prerequisite for understanding and so gaining more control over the properties of any material, including NPs. In the case of bulk materials such knowledge is fairly easy to obtain by Bragg diffraction experiments. Determining the 3D atomic-scale structure of NPs is, however, still problematic spelling trouble for science and technology at the nanoscale. Here we explore this so-called ``nanostructure problem'' from a practical point of view arguing that it can be solved when its technical, that is the inapplicability of Bragg diffraction to NPs, and fundamental, that is the incompatibility of traditional crystallography with NPs, aspects are both addressed properly. As evidence we present a successful and broadly applicable, 6-step approach to determining the 3D atomic-scale structure of NPs based on a suitable combination of a few experimental and computational techniques. This approach is exemplified on 5 nm sized PdxNi100-x particles (x = 26, 56 and 88) explored for catalytic applications. Furthermore, we show how once an NP atomic structure is determined precisely, a strategy for improving NP structure-dependent properties of particular interest to science and technology can be designed rationally and not subjectively as frequently done now.With current technology moving rapidly toward smaller scales nanometer-size materials, hereafter called nanometer-size particles (NPs), are being produced in increasing numbers and explored for various useful applications ranging from photonics and catalysis to detoxification of wastewater and cancer therapy. Nature also is a prolific producer of useful NPs. Evidence can be found in ores on the ocean floor, minerals and soils on land and in the human body that, when water is excluded, is mostly made of proteins that are 6-10 nm in size and globular in shape. Precise knowledge of the 3D atomic-scale structure, that is how atoms are arranged in space, is a crucial prerequisite for understanding and so gaining more control over the properties of any material, including NPs. In the case of bulk materials such knowledge is fairly easy to obtain by Bragg diffraction experiments. Determining the 3D atomic-scale structure of NPs is, however, still problematic spelling trouble for science and technology at the nanoscale. Here we explore this so-called ``nanostructure problem'' from a practical point of view arguing that it can be solved when its technical, that is the inapplicability of Bragg diffraction to NPs, and fundamental, that is the incompatibility of traditional crystallography with NPs, aspects are both addressed properly. As evidence we present a successful and broadly applicable, 6-step approach to determining the 3D atomic-scale structure of NPs based on a suitable combination of a few experimental and computational techniques. This approach is exemplified on 5 nm sized PdxNi100-x particles (x = 26, 56 and 88) explored for catalytic applications. Furthermore, we show how once an NP atomic structure is determined precisely, a strategy for improving NP structure-dependent properties of particular interest to science and technology can be designed rationally and not subjectively as frequently done now. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modeling results. See DOI: 10.1039/c4nr01633e

Ground-state energies and charge radii of medium-mass nuclei in the unitary-model-operator approach

NASA Astrophysics Data System (ADS)

Miyagi, Takayuki; Abe, Takashi; Okamoto, Ryoji; Otsuka, Takaharu

2014-09-01

In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. The part of numerical calculation has been done on the NEC SX8R at RCNP, Osaka University. This work was supported in part by MEXT SPIRE and JICFuS. It was also supported in part by the Program in part for Leading Graduate Schools, MEXT, Japan.

Computational modeling of RNA 3D structures, with the aid of experimental restraints

PubMed Central

Magnus, Marcin; Matelska, Dorota; Łach, Grzegorz; Chojnowski, Grzegorz; Boniecki, Michal J; Purta, Elzbieta; Dawson, Wayne; Dunin-Horkawicz, Stanislaw; Bujnicki, Janusz M

2014-01-01

In addition to mRNAs whose primary function is transmission of genetic information from DNA to proteins, numerous other classes of RNA molecules exist, which are involved in a variety of functions, such as catalyzing biochemical reactions or performing regulatory roles. In analogy to proteins, the function of RNAs depends on their structure and dynamics, which are largely determined by the ribonucleotide sequence. Experimental determination of high-resolution RNA structures is both laborious and difficult, and therefore, the majority of known RNAs remain structurally uncharacterized. To address this problem, computational structure prediction methods were developed that simulate either the physical process of RNA structure formation (“Greek science” approach) or utilize information derived from known structures of other RNA molecules (“Babylonian science” approach). All computational methods suffer from various limitations that make them generally unreliable for structure prediction of long RNA sequences. However, in many cases, the limitations of computational and experimental methods can be overcome by combining these two complementary approaches with each other. In this work, we review computational approaches for RNA structure prediction, with emphasis on implementations (particular programs) that can utilize restraints derived from experimental analyses. We also list experimental approaches, whose results can be relatively easily used by computational methods. Finally, we describe case studies where computational and experimental analyses were successfully combined to determine RNA structures that would remain out of reach for each of these approaches applied separately. PMID:24785264

Multirate sampled-data yaw-damper and modal suppression system design

NASA Technical Reports Server (NTRS)

Berg, Martin C.; Mason, Gregory S.

1990-01-01

A multirate control law synthesized algorithm based on an infinite-time quadratic cost function, was developed along with a method for analyzing the robustness of multirate systems. A generalized multirate sampled-data control law structure (GMCLS) was introduced. A new infinite-time-based parameter optimization multirate sampled-data control law synthesis method and solution algorithm were developed. A singular-value-based method for determining gain and phase margins for multirate systems was also developed. The finite-time-based parameter optimization multirate sampled-data control law synthesis algorithm originally intended to be applied to the aircraft problem was instead demonstrated by application to a simpler problem involving the control of the tip position of a two-link robot arm. The GMCLS, the infinite-time-based parameter optimization multirate control law synthesis method and solution algorithm, and the singular-value based method for determining gain and phase margins were all demonstrated by application to the aircraft control problem originally proposed for this project.

Multi-objective optimization of composite structures. A review

NASA Astrophysics Data System (ADS)

Teters, G. A.; Kregers, A. F.

1996-05-01

Studies performed on the optimization of composite structures by coworkers of the Institute of Polymers Mechanics of the Latvian Academy of Sciences in recent years are reviewed. The possibility of controlling the geometry and anisotropy of laminar composite structures will make it possible to design articles that best satisfy the requirements established for them. Conflicting requirements such as maximum bearing capacity, minimum weight and/or cost, prescribed thermal conductivity and thermal expansion, etc. usually exist for optimal design. This results in the multi-objective compromise optimization of structures. Numerical methods have been developed for solution of problems of multi-objective optimization of composite structures; parameters of the structure of the reinforcement and the geometry of the design are assigned as controlling parameters. Programs designed to run on personal computers have been compiled for multi-objective optimization of the properties of composite materials, plates, and shells. Solutions are obtained for both linear and nonlinear models. The programs make it possible to establish the Pareto compromise region and special multicriterial solutions. The problem of the multi-objective optimization of the elastic moduli of a spatially reinforced fiberglass with stochastic stiffness parameters has been solved. The region of permissible solutions and the Pareto region have been found for the elastic moduli. The dimensions of the scatter ellipse have been determined for a multidimensional Gaussian probability distribution where correlation between the composite's properties being optimized are accounted for. Two types of problems involving the optimization of a laminar rectangular composite plate are considered: the plate is considered elastic and anisotropic in the first case, and viscoelastic properties are accounted for in the second. The angle of reinforcement and the relative amount of fibers in the longitudinal direction are controlling parameters. The optimized properties are the critical stresses, thermal conductivity, and thermal expansion. The properties of a plate are determined by the properties of the components in the composite, eight of which are stochastic. The region of multi-objective compromise solutions is presented, and the parameters of the scatter ellipses of the properties are given.

Bridging quantum mechanics and structure-based drug design.

PubMed

De Vivo, Marco

2011-01-01

The last decade has seen great advances in the use of quantum mechanics (QM) to solve biological problems of pharmaceutical relevance. For instance, enzymatic catalysis is often investigated by means of the so-called QM/MM approach, which uses QM and molecular mechanics (MM) methods to determine the (free) energy landscape of the enzymatic reaction mechanism. Here, I will discuss a few representative examples of QM and QM/MM studies of important metalloenzymes of pharmaceutical interest (i.e. metallophosphatases and metallo-beta-lactamases). This review article aims to show how QM-based methods can be used to elucidate ligand-receptor interactions. The challenge is then to exploit this knowledge for the structure-based design of new and potent inhibitors, such as transition state (TS) analogues that resemble the structure and physicochemical properties of the enzymatic TS. Given the results and potential expressed to date by QM-based methods in studying biological problems, the application of QM in structure-based drug design will likely increase, making of these once-prohibitive computations a routinely used tool for drug design.

A combination of feature extraction methods with an ensemble of different classifiers for protein structural class prediction problem.

PubMed

Dehzangi, Abdollah; Paliwal, Kuldip; Sharma, Alok; Dehzangi, Omid; Sattar, Abdul

2013-01-01

Better understanding of structural class of a given protein reveals important information about its overall folding type and its domain. It can also be directly used to provide critical information on general tertiary structure of a protein which has a profound impact on protein function determination and drug design. Despite tremendous enhancements made by pattern recognition-based approaches to solve this problem, it still remains as an unsolved issue for bioinformatics that demands more attention and exploration. In this study, we propose a novel feature extraction model that incorporates physicochemical and evolutionary-based information simultaneously. We also propose overlapped segmented distribution and autocorrelation-based feature extraction methods to provide more local and global discriminatory information. The proposed feature extraction methods are explored for 15 most promising attributes that are selected from a wide range of physicochemical-based attributes. Finally, by applying an ensemble of different classifiers namely, Adaboost.M1, LogitBoost, naive Bayes, multilayer perceptron (MLP), and support vector machine (SVM) we show enhancement of the protein structural class prediction accuracy for four popular benchmarks.

Experimental study of evaluation of mechanical parameters of heterogeneous porous structure

NASA Astrophysics Data System (ADS)

Gerasimov, O.; Koroleva, E.; Sachenkov, O.

2017-06-01

The paper deals with the problem of determining the mechanical macroparameters of the porous material in case of knowing the information about it’s structure. Fabric tensor and porosity was used to describe structure of the material. Experimental study presented. In research two-component liquid polyurethane plastics of cold curing Lasilcast (Lc-12) was used. Then samples was scanned on computer tomography. Resulting data was analyzed. Regular subvolume was cut out after analyses. Then mechanical tests was performed. As a result we get information about fabric tensor, porosity, Young’s modulus and Poisson ratio of the sample. In the abstract presented results for some samples. Taking into account the law of porosity variation, we considered the problem of evaluating the mechanical macro parameters depending on the nature of the porous structure. To evaluate the macroparameters, we built the dependence of the Young’s modules and Poisson ratio of the material on the rotation angle α and the pore ellipticity parameter λ. The sensitivity of the deformations to the elastic constants was also estimated.

Structured scaffolding for reflection and problem solving in diabetes self-management: qualitative study of mobile diabetes detective.

PubMed

Mamykina, Lena; Heitkemper, Elizabeth M; Smaldone, Arlene M; Kukafka, Rita; Cole-Lewis, Heather; Davidson, Patricia G; Mynatt, Elizabeth D; Tobin, Jonathan N; Cassells, Andrea; Goodman, Carrie; Hripcsak, George

2016-01-01

To investigate subjective experiences and patterns of engagement with a novel electronic tool for facilitating reflection and problem solving for individuals with type 2 diabetes, Mobile Diabetes Detective (MoDD). In this qualitative study, researchers conducted semi-structured interviews with individuals from economically disadvantaged communities and ethnic minorities who are participating in a randomized controlled trial of MoDD. The transcripts of the interviews were analyzed using inductive thematic analysis; usage logs were analyzed to determine how actively the study participants used MoDD. Fifteen participants in the MoDD randomized controlled trial were recruited for the qualitative interviews. Usage log analysis showed that, on average, during the 4 weeks of the study, the study participants logged into MoDD twice per week, reported 120 blood glucose readings, and set two behavioral goals. The qualitative interviews suggested that individuals used MoDD to follow the steps of the problem-solving process, from identifying problematic blood glucose patterns, to exploring behavioral triggers contributing to these patterns, to selecting alternative behaviors, to implementing these behaviors while monitoring for improvements in glycemic control. This qualitative study suggested that informatics interventions for reflection and problem solving can provide structured scaffolding for facilitating these processes by guiding users through the different steps of the problem-solving process and by providing them with context-sensitive evidence and practice-based knowledge related to diabetes self-management on each of those steps. This qualitative study suggested that MoDD was perceived as a useful tool in engaging individuals in self-monitoring, reflection, and problem solving. © The Author 2016. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Optimal Output Trajectory Redesign for Invertible Systems

NASA Technical Reports Server (NTRS)

Devasia, S.

1996-01-01

Given a desired output trajectory, inversion-based techniques find input-state trajectories required to exactly track the output. These inversion-based techniques have been successfully applied to the endpoint tracking control of multijoint flexible manipulators and to aircraft control. The specified output trajectory uniquely determines the required input and state trajectories that are found through inversion. These input-state trajectories exactly track the desired output; however, they might not meet acceptable performance requirements. For example, during slewing maneuvers of flexible structures, the structural deformations, which depend on the required state trajectories, may be unacceptably large. Further, the required inputs might cause actuator saturation during an exact tracking maneuver, for example, in the flight control of conventional takeoff and landing aircraft. In such situations, a compromise is desired between the tracking requirement and other goals such as reduction of internal vibrations and prevention of actuator saturation; the desired output trajectory needs to redesigned. Here, we pose the trajectory redesign problem as an optimization of a general quadratic cost function and solve it in the context of linear systems. The solution is obtained as an off-line prefilter of the desired output trajectory. An advantage of our technique is that the prefilter is independent of the particular trajectory. The prefilter can therefore be precomputed, which is a major advantage over other optimization approaches. Previous works have addressed the issue of preshaping inputs to minimize residual and in-maneuver vibrations for flexible structures; Since the command preshaping is computed off-line. Further minimization of optimal quadratic cost functions has also been previously use to preshape command inputs for disturbance rejection. All of these approaches are applicable when the inputs to the system are known a priori. Typically, outputs (not inputs) are specified in tracking problems, and hence the input trajectories have to be computed. The inputs to the system are however, difficult to determine for non-minimum phase systems like flexible structures. One approach to solve this problem is to (1) choose a tracking controller (the desired output trajectory is now an input to the closed-loop system and (2) redesign this input to the closed-loop system. Thus we effectively perform output redesign. These redesigns are however, dependent on the choice of the tracking controllers. Thus the controller optimization and trajectory redesign problems become coupled; this coupled optimization is still an open problem. In contrast, we decouple the trajectory redesign problem from the choice of feedback-based tracking controller. It is noted that our approach remains valid when a particular tracking controller is chosen. In addition, the formulation of our problem not only allows for the minimization of residual vibration as in available techniques but also allows for the optimal reduction fo vibrations during the maneuver, e.g., the altitude control of flexible spacecraft. We begin by formulating the optimal output trajectory redesign problem and then solve it in the context of general linear systems. This theory is then applied to an example flexible structure, and simulation results are provided.

Ab initio nanostructure determination

NASA Astrophysics Data System (ADS)

Gujarathi, Saurabh

Reconstruction of complex structures is an inverse problem arising in virtually all areas of science and technology, from protein structure determination to bulk heterostructure solar cells and the structure of nanoparticles. This problem is cast as a complex network problem where the edges in a network have weights equal to the Euclidean distance between their endpoints. A method, called Tribond, for the reconstruction of the locations of the nodes of the network given only the edge weights of the Euclidean network is presented. The timing results indicate that the algorithm is a low order polynomial in the number of nodes in the network in two dimensions. Reconstruction of Euclidean networks in two dimensions of about one thousand nodes in approximately twenty four hours on a desktop computer using this implementation is done. In three dimensions, the computational cost for the reconstruction is a higher order polynomial in the number of nodes and reconstruction of small Euclidean networks in three dimensions is shown. If a starting network of size five is assumed to be given, then for a network of size 100, the remaining reconstruction can be done in about two hours on a desktop computer. In situations when we have less precise data, modifications of the method may be necessary and are discussed. A related problem in one dimension known as the Optimal Golomb ruler (OGR) is also studied. A statistical physics Hamiltonian to describe the OGR problem is introduced and the first order phase transition from a symmetric low constraint phase to a complex symmetry broken phase at high constraint is studied. Despite the fact that the Hamiltonian is not disordered, the asymmetric phase is highly irregular with geometric frustration. The phase diagram is obtained and it is seen that even at a very low temperature T there is a phase transition at finite and non-zero value of the constraint parameter gamma/mu. Analytic calculations for the scaling of the density and free energy of the ruler are done and they are compared with those from the mean field approach. A scaling law is also derived for the length of OGR, which is consistent with Erdos conjecture and with numerical results.

A generalized concept for cost-effective structural design. [Statistical Decision Theory applied to aerospace systems

NASA Technical Reports Server (NTRS)

Thomas, J. M.; Hawk, J. D.

1975-01-01

A generalized concept for cost-effective structural design is introduced. It is assumed that decisions affecting the cost effectiveness of aerospace structures fall into three basic categories: design, verification, and operation. Within these basic categories, certain decisions concerning items such as design configuration, safety factors, testing methods, and operational constraints are to be made. All or some of the variables affecting these decisions may be treated probabilistically. Bayesian statistical decision theory is used as the tool for determining the cost optimum decisions. A special case of the general problem is derived herein, and some very useful parametric curves are developed and applied to several sample structures.

A multiple process solution to the logical problem of language acquisition*

PubMed Central

MACWHINNEY, BRIAN

2006-01-01

Many researchers believe that there is a logical problem at the center of language acquisition theory. According to this analysis, the input to the learner is too inconsistent and incomplete to determine the acquisition of grammar. Moreover, when corrective feedback is provided, children tend to ignore it. As a result, language learning must rely on additional constraints from universal grammar. To solve this logical problem, theorists have proposed a series of constraints and parameterizations on the form of universal grammar. Plausible alternatives to these constraints include: conservatism, item-based learning, indirect negative evidence, competition, cue construction, and monitoring. Careful analysis of child language corpora has cast doubt on claims regarding the absence of positive exemplars. Using demonstrably available positive data, simple learning procedures can be formulated for each of the syntactic structures that have traditionally motivated invocation of the logical problem. Within the perspective of emergentist theory (MacWhinney, 2001), the operation of a set of mutually supportive processes is viewed as providing multiple buffering for developmental outcomes. However, the fact that some syntactic structures are more difficult to learn than others can be used to highlight areas of intense grammatical competition and processing load. PMID:15658750

Application of six sigma and AHP in analysis of variable lead time calibration process instrumentation

NASA Astrophysics Data System (ADS)

Rimantho, Dino; Rahman, Tomy Abdul; Cahyadi, Bambang; Tina Hernawati, S.

2017-02-01

Calibration of instrumentation equipment in the pharmaceutical industry is an important activity to determine the true value of a measurement. Preliminary studies indicated that occur lead-time calibration resulted in disruption of production and laboratory activities. This study aimed to analyze the causes of lead-time calibration. Several methods used in this study such as, Six Sigma in order to determine the capability process of the calibration instrumentation of equipment. Furthermore, the method of brainstorming, Pareto diagrams, and Fishbone diagrams were used to identify and analyze the problems. Then, the method of Hierarchy Analytical Process (AHP) was used to create a hierarchical structure and prioritize problems. The results showed that the value of DPMO around 40769.23 which was equivalent to the level of sigma in calibration equipment approximately 3,24σ. This indicated the need for improvements in the calibration process. Furthermore, the determination of problem-solving strategies Lead Time Calibration such as, shortens the schedule preventive maintenance, increase the number of instrument Calibrators, and train personnel. Test results on the consistency of the whole matrix of pairwise comparisons and consistency test showed the value of hierarchy the CR below 0.1.

Recent structural studies on Dom34/aPelota and Hbs1/aEF1α: important factors for solving general problems of ribosomal stall in translation

PubMed Central

Kobayashi, Kan; Ishitani, Ryuichiro; Nureki, Osamu

2013-01-01

In the translation process, translating ribosomes usually move on an mRNA until they reach the stop codon. However, when ribosomes translate an aberrant mRNA, they stall. Then, ribosomes are rescued from the aberrant mRNA, and the aberrant mRNA is subsequently degraded. In eukaryotes, Pelota (Dom34 in yeast) and Hbs1 are responsible for solving general problems of ribosomal stall in translation. In archaea, aPelota and aEF1α, homologous to Pelota and Hbs1, respectively, are considered to be involved in that process. In recent years, great progress has been made in determining structures of Dom34/aPelota and Hbs1/aEF1α. In this review, we focus on the functional roles of Dom34/aPelota and Hbs1/aEF1α in ribosome rescue, based on recent structural studies of them. We will also present questions to be answered by future work. PMID:27493551

Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.

PubMed

Lee, Hung-Wen; Chang, Chun-Ming; Hsing, Cheng-Rong

2017-02-28

The puzzle of the magnetic moments of small nickel clusters arises from the discrepancy between values predicted using density functional theory (DFT) and experimental measurements. Traditional DFT approaches underestimate the magnetic moments of nickel clusters. Two fundamental problems are associated with this puzzle, namely, calculating the exchange-correlation interaction accurately and determining the global minimum structures of the clusters. Theoretically, the two problems can be solved using quantum Monte Carlo (QMC) calculations and the ab initio random structure searching (AIRSS) method correspondingly. Therefore, we combined the fixed-moment AIRSS and QMC methods to investigate the magnetic properties of Ni n (n = 5-9) clusters. The spin moments of the diffusion Monte Carlo (DMC) ground states are higher than those of the Perdew-Burke-Ernzerhof ground states and, in the case of Ni 8-9 , two new ground-state structures have been discovered using the DMC calculations. The predicted results are closer to the experimental findings, unlike the results predicted in previous standard DFT studies.

Performance Metrics for Monitoring Parallel Program Executions

NASA Technical Reports Server (NTRS)

Sarukkai, Sekkar R.; Gotwais, Jacob K.; Yan, Jerry; Lum, Henry, Jr. (Technical Monitor)

1994-01-01

Existing tools for debugging performance of parallel programs either provide graphical representations of program execution or profiles of program executions. However, for performance debugging tools to be useful, such information has to be augmented with information that highlights the cause of poor program performance. Identifying the cause of poor performance necessitates the need for not only determining the significance of various performance problems on the execution time of the program, but also needs to consider the effect of interprocessor communications of individual source level data structures. In this paper, we present a suite of normalized indices which provide a convenient mechanism for focusing on a region of code with poor performance and highlights the cause of the problem in terms of processors, procedures and data structure interactions. All the indices are generated from trace files augmented with data structure information.. Further, we show with the help of examples from the NAS benchmark suite that the indices help in detecting potential cause of poor performance, based on augmented execution traces obtained by monitoring the program.

MT+, integrating magnetotellurics to determine earth structure, physical state, and processes

USGS Publications Warehouse

Bedrosian, P.A.

2007-01-01

As one of the few deep-earth imaging techniques, magnetotellurics provides information on both the structure and physical state of the crust and upper mantle. Magnetotellurics is sensitive to electrical conductivity, which varies within the earth by many orders of magnitude and is modified by a range of earth processes. As with all geophysical techniques, magnetotellurics has a non-unique inverse problem and has limitations in resolution and sensitivity. As such, an integrated approach, either via the joint interpretation of independent geophysical models, or through the simultaneous inversion of independent data sets is valuable, and at times essential to an accurate interpretation. Magnetotelluric data and models are increasingly integrated with geological, geophysical and geochemical information. This review considers recent studies that illustrate the ways in which such information is combined, from qualitative comparisons to statistical correlation studies to multi-property inversions. Also emphasized are the range of problems addressed by these integrated approaches, and their value in elucidating earth structure, physical state, and processes. ?? Springer Science+Business Media B.V. 2007.

Vibration suppression for large scale adaptive truss structures using direct output feedback control

NASA Technical Reports Server (NTRS)

Lu, Lyan-Ywan; Utku, Senol; Wada, Ben K.

1993-01-01

In this article, the vibration control of adaptive truss structures, where the control actuation is provided by length adjustable active members, is formulated as a direct output feedback control problem. A control method named Model Truncated Output Feedback (MTOF) is presented. The method allows the control feedback gain to be determined in a decoupled and truncated modal space in which only the critical vibration modes are retained. The on-board computation required by MTOF is minimal; thus, the method is favorable for the applications of vibration control of large scale structures. The truncation of the modal space inevitably introduces spillover effect during the control process. In this article, the effect is quantified in terms of active member locations, and it is shown that the optimal placement of active members, which minimizes the spillover effect (and thus, maximizes the control performance) can be sought. The problem of optimally selecting the locations of active members is also treated.

Can Learning Style Predict Student Satisfaction with Different Instruction Methods and Academic Achievement in Medical Education?

ERIC Educational Resources Information Center

Gurpinar, Erol; Alimoglu, Mustafa Kemal; Mamakli, Sumer; Aktekin, Mehmet

2010-01-01

The curriculum of our medical school has a hybrid structure including both traditional training (lectures) and problem-based learning (PBL) applications. The purpose of this study was to determine the learning styles of our medical students and investigate the relation of learning styles with each of satisfaction with different instruction methods…

The Effect of Out-of School Activities on Conceptual Change in Environmental Education

ERIC Educational Resources Information Center

Demirbas, Cagri Ozturk

2017-01-01

The objective of this study is to determining the change in secondary school students' cognitive structure related to the concepts of environmental problems. There were 21th grades students of two middle schools in Kirsehir. In this research, the students participated in outdoor activities on environmental education programmes during 5 weekends…

Transforming Pedagogy: Changing Perspectives from Teacher-Centered to Learner-Centered

ERIC Educational Resources Information Center

Dole, Sharon; Bloom, Lisa; Kowalske, Kristy

2016-01-01

This study used an online-structured interview methodology to examine the impact of an intensive field experience in facilitating problem (PBL) and project-based learning (PjBL) on teachers' pedagogy. The purpose of the study was to determine to what extent the field experience had transformed their teaching. Data were collected in the form of…

Geodynamical Nature of the Formation of Large Plates of Platforms, Jointed in North Caspian Oil and Gas Basin

ERIC Educational Resources Information Center

Seitov, Nassipkali; Tulegenova, Gulmira P.

2016-01-01

This article addresses the problems of tectonic zoning and determination of geodynamical nature of the formation of jointed tectonic structures within the North Caspian oil and gas basin, represented by Caspian Depression of Russian platform of East European Pre-Cambrian Craton and plate ancient Precambrian Platform stabilization and Turan…

Professional Motivation Formation of Future Specialists under the Conditions of Regional Educational Complex

ERIC Educational Resources Information Center

Kargina, Elena Mikhaylovna

2015-01-01

Motivation plays the leading role in the organization of the personality structure. It is a driving force of the activity. Motivation accounts for the behavior and activity and has a great impact on professional self-determination and person's satisfaction with the work. The problem of professional motivation formation of a future specialist is…

The Analysis of Elementary Mathematics Preservice Teachers' Spatial Orientation Skills with SOLO Model

ERIC Educational Resources Information Center

Özdemir, Ahmet Sükrü; Göktepe Yildiz, Sevda

2015-01-01

Problem Statement: The SOLO model places responses provided by students on a certain level instead of placing students there themselves. SOLO taxonomy, including five sub-levels, is used for determining observed structures of learning outcomes in various disciplines and grade levels. On the other hand, the spatial orientation skill is the ability…

Modal analysis and dynamic stresses for acoustically excited shuttle insulation tiles

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Ogilvie, P. L.

1975-01-01

Improvements and extensions to the RESIST computer program developed for determining the normalized modal stress response of shuttle insulation tiles are described. The new version of RESIST can accommodate primary structure panels with closed-cell stringers, in addition to the capability for treating open-cell stringers. In addition, the present version of RESIST numerically solves vibration problems several times faster than its predecessor. A new digital computer program, titled ARREST (Acoustic Response of Reusable Shuttle Tiles) is also described. Starting with modal information contained on output tapes from RESIST computer runs, ARREST determines RMS stresses, deflections and accelerations of shuttle panels with reusable surface insulation tiles. Both programs are applicable to stringer stiffened structural panels with or without reusable surface insulation titles.

Job satisfaction among hospital nurses: a longitudinal study.

PubMed Central

Weisman, C S; Alexander, C S; Chase, G A

1980-01-01

Data from a two-wave panel study of staff nurses in two hospitals are used to assess the relative importance of several types of independent variables as determinants of job satisfaction. Both organizational and nonorganizational determinants are examined, with the formed including both perceptual and structural measures. Job satisfaction is measured in two ways using both Overall and Multi-Facet indicators. The independent variables were measured five months before the dependent variables were measured in order to attenuate contamination problems. Findings indicate that perceptions of job and nursing unit attributes, particularly autonomy and task delegation, predict satisfaction most strongly. In addition, a nurse's own characteristics are found to be more important than either structural attributes of nursing units or job characteristics in predicting job satisfaction. PMID:7461970

Development and evaluation of the impulse transfer function technique

NASA Technical Reports Server (NTRS)

Mantus, M.

1972-01-01

The development of the test/analysis technique known as the impulse transfer function (ITF) method is discussed. This technique, when implemented with proper data processing systems, should become a valuable supplement to conventional dynamic testing and analysis procedures that will be used in the space shuttle development program. The method can relieve many of the problems associated with extensive and costly testing of the shuttle for transient loading conditions. In addition, the time history information derived from impulse testing has the potential for being used to determine modal data for the structure under investigation. The technique could be very useful in determining the time-varying modal characteristics of structures subjected to thermal transients, where conventional mode surveys are difficult to perform.

The use of remote sensors to relate biological and physical indicators to environmental and public health problems

NASA Technical Reports Server (NTRS)

1972-01-01

Relationships between biological, ecological and botanical structures, and disease organisms and their vectors which might be detected and measured by remote sensing are determined. In addition to the use of trees as indicators of disease or potential disease, an attempt is made to identify environmental factors such as soil moisture and soil and water temperatures as they relate to disease or health problems and may be detected by remote sensing. The following three diseases and one major health problem are examined: Malaria, Rocky Mountain spotted fever, Encephalitis and Red Tide. It is shown that no single species of vascular plant nor any one environmental factor can be used as the indicator of disease or health problems. Entire vegetation types, successional stages and combinations of factors must be used.

Fundamental Problems of Lunar Research, Technical Solutions, and Priority Lunar Regions for Research

NASA Astrophysics Data System (ADS)

Ivanov, M. A.; Basilevsky, A. T.; Bricheva, S. S.; Guseva, E. N.; Demidov, N. E.; Zakharova, M.; Krasil'nikov, S. S.

2017-11-01

In this article, we discuss four fundamental scientific problems of lunar research: (1) lunar chronology, (2) the internal structure of the Moon, (3) the lunar polar regions, and (4) lunar volcanism. After formulating the scientific problems and their components, we proceed to outlining a list of technical solutions and priority lunar regions for research. Solving the listed problems requires investigations on the lunar surface using lunar rovers, which can deliver a set of analytical equipment to places where geological conditions are known from a detailed analysis of orbital information. The most critical research methods, which can answer some of the key questions, are analysis of local geological conditions from panoramic photographs, determination of the chemical, isotopic, and mineral composition of the soil, and deep seismic sounding. A preliminary list is given of lunar regions with high scientific priority.

Mapping nursing diagnosis nomenclatures for coordinated care.

PubMed

Zielstorff, R D; Tronni, C; Basque, J; Griffin, L R; Welebob, E M

1998-01-01

To map the problem or diagnosis terms from three nomenclatures, term to term, to determine commonalities and differences; and to determine whether it is possible to develop a single vocabulary that contains the best features of all. When different nomenclatures are used in different settings, continuity of care is hampered by the need to re-state problems and interventions. The sample for this descriptive analysis was 396 terms from three nursing diagnosis and problem nomenclatures recognized by the American Nurses Association: the North American Nursing Diagnosis Association (NANDA) Approved List, the Home Health Care Classification (HHCC), and the Omaha System. Terms from each of the three nomenclatures were mapped to terms in each of the others. Consensus methods were used to resolve differences in mapping decisions. Terms were characterized as "Same," "Similar," "Broader," "Narrower," and "No Match." Validation of consistency and accuracy was done by reverse mapping, use of syllogisms, use of taxonomic groupings, and expert review. Of 396 terms, 21 concepts accounting for 63 terms were found to be the same or similar in all three nomenclatures; 91 terms were unique to the nomenclature in which they were found ("No Match"). The remaining 242 terms had a narrower or broader relationship to at least one term in another nomenclature. In all three nomenclatures, inconsistencies existed in level of abstractness of the diagnosis or problem terms, and in definition and placement of terms within their own taxonomic structure. Because of differences in structure and incompatible taxonomic arrangements, a master list of "preferred terms" taken from the three nomenclatures is not feasible. However, the mappings are useful for determining commonalities and the unique contributions of each nomenclature, which can facilitate the development of a uniform language for nursing diagnoses. The mapping can also form the basis for automatic translation of computer-stored nursing diagnoses from one setting to another when different nomenclatures are used.

Bayesian source term determination with unknown covariance of measurements

NASA Astrophysics Data System (ADS)

Belal, Alkomiet; Tichý, Ondřej; Šmídl, Václav

2017-04-01

Determination of a source term of release of a hazardous material into the atmosphere is a very important task for emergency response. We are concerned with the problem of estimation of the source term in the conventional linear inverse problem, y = Mx, where the relationship between the vector of observations y is described using the source-receptor-sensitivity (SRS) matrix M and the unknown source term x. Since the system is typically ill-conditioned, the problem is recast as an optimization problem minR,B(y - Mx)TR-1(y - Mx) + xTB-1x. The first term minimizes the error of the measurements with covariance matrix R, and the second term is a regularization of the source term. There are different types of regularization arising for different choices of matrices R and B, for example, Tikhonov regularization assumes covariance matrix B as the identity matrix multiplied by scalar parameter. In this contribution, we adopt a Bayesian approach to make inference on the unknown source term x as well as unknown R and B. We assume prior on x to be a Gaussian with zero mean and unknown diagonal covariance matrix B. The covariance matrix of the likelihood R is also unknown. We consider two potential choices of the structure of the matrix R. First is the diagonal matrix and the second is a locally correlated structure using information on topology of the measuring network. Since the inference of the model is intractable, iterative variational Bayes algorithm is used for simultaneous estimation of all model parameters. The practical usefulness of our contribution is demonstrated on an application of the resulting algorithm to real data from the European Tracer Experiment (ETEX). This research is supported by EEA/Norwegian Financial Mechanism under project MSMT-28477/2014 Source-Term Determination of Radionuclide Releases by Inverse Atmospheric Dispersion Modelling (STRADI).

A necessary and sufficient condition for well-posedness of initial value problems of retarded functional differential equations

NASA Astrophysics Data System (ADS)

Nishiguchi, Junya

2017-09-01

We introduce the retarded functional differential equations (RFDEs) with general delay structure to treat various delay differential equations (DDEs) in a unified way and to clarify the delay structure in those dynamics. We are interested in the question as to which space of histories is suitable for the dynamics of each DDE, and investigate the well-posedness of the initial value problems (IVPs) of the RFDEs. A main theorem is that the IVP is well-posed for any ;admissible; history functional if and only if the semigroup determined by the trivial RFDE x ˙ = 0 is continuous. We clarify the meaning of the Hale-Kato axiom (Hale & Kato [12]) by applying this result to RFDEs with infinite delay. We also apply the result to DDEs with unbounded time- and state-dependent delays.

A comparison of quality and utilization problems in large and small group practices.

PubMed

Gleason, S C; Richards, M J; Quinnell, J E

1995-12-01

Physicians practicing in large, multispecialty medical groups share an organizational culture that differs from that of physicians in small or independent practices. Since 1980, there has been a sharp increase in the size of multispecialty group practice organizations, in part because of increased efficiencies of large group practices. The greater number of physicians and support personnel in a large group practice also requires a relatively more sophisticated management structure. The efficiencies, conveniences, and management structure of a large group practice provide an optimal environment to practice medicine. However, a search of the literature found no data linking a large group practice environment to practice outcomes. The purpose of the study reported in this article was to determine if physicians in large practices have fewer quality and utilization problems than physicians in small or independent practices.

GNSS-based multi-sensor system for structural monitoring applications

NASA Astrophysics Data System (ADS)

Bogusz, Janusz; Figurski, Mariusz; Nykiel, Grzegorz; Szolucha, Marcin; Wrona, Maciej

2012-03-01

In 2007 the Centre of Applied Geomatics of the Military University of Technology started measurements aimed at the monitoring of the dynamic state of the engineering structures using GNSS. The complexity of the problem forced us to apply an integrated system architecture. This concept is based on simultaneous measuring some selected elements of the structure using various types of sensors. Measurement information from numerous instruments is numerically integrated for determining the investigated parameter, e.g., the displacement vector. The CAG team performed the tests using such a system on the two permanent 500-meters long bridges, the temporary bridge crossing for military purposes and the 300-meters high chimney of the CHP station. The information about displacement vector together with the characteristic frequencies of the structure were determined using different techniques for increasing of its reliability. This paper presents the results of such tests, gives description of the integrated system designed in the CAG and brings forward with the plans for the future.

Global/local stress analysis of composite structures. M.S. Thesis

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.

1989-01-01

A method for performing a global/local stress analysis is described and its capabilities are demonstrated. The method employs spline interpolation functions which satisfy the linear plate bending equation to determine displacements and rotations from a global model which are used as boundary conditions for the local model. Then, the local model is analyzed independent of the global model of the structure. This approach can be used to determine local, detailed stress states for specific structural regions using independent, refined local models which exploit information from less-refined global models. The method presented is not restricted to having a priori knowledge of the location of the regions requiring local detailed stress analysis. This approach also reduces the computational effort necessary to obtain the detailed stress state. Criteria for applying the method are developed. The effectiveness of the method is demonstrated using a classical stress concentration problem and a graphite-epoxy blade-stiffened panel with a discontinuous stiffener.

Au 133 (SPh - t Bu) 52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

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

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au-133(SPh-tBu)(52), was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than inmore » the slightly larger Au-144(SCH2CH2Ph)(60). Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.« less

Finite element analysis and optimization of composite structures

NASA Technical Reports Server (NTRS)

Thomsen, Jan

1990-01-01

Linearly elastic fiber reinforced composite discs and laminates in plane stress with variable local orientation and concentration of one or two fiber fields embedded in the matrix material, are considered. The thicknesses and the domain of the discs or laminates are assumed to be given, together with prescribed boundary conditions and in-plane loading along the edge. The problem under study consists in determining throughout the structural domain the optimum orientations and concentrations of the fiber fields in such a way as to maximize the integral stiffness of the composite disc or laminate under the seven loading. Minimization of the integral stiffness can also be performed. The optimization is performed subject to a prescribed bound on the total cost or weight of the composite that for given unit cost factors or specific weights determines the amounts of fiber and matrix materials in the structure. Examples are presented.

Au133(SPh-tBu)52 nanomolecules: X-ray crystallography, optical, electrochemical, and theoretical analysis.

PubMed

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

A novel method for identifying a graph-based representation of 3-D microvascular networks from fluorescence microscopy image stacks.

PubMed

Almasi, Sepideh; Xu, Xiaoyin; Ben-Zvi, Ayal; Lacoste, Baptiste; Gu, Chenghua; Miller, Eric L

2015-02-01

A novel approach to determine the global topological structure of a microvasculature network from noisy and low-resolution fluorescence microscopy data that does not require the detailed segmentation of the vessel structure is proposed here. The method is most appropriate for problems where the tortuosity of the network is relatively low and proceeds by directly computing a piecewise linear approximation to the vasculature skeleton through the construction of a graph in three dimensions whose edges represent the skeletal approximation and vertices are located at Critical Points (CPs) on the microvasculature. The CPs are defined as vessel junctions or locations of relatively large curvature along the centerline of a vessel. Our method consists of two phases. First, we provide a CP detection technique that, for junctions in particular, does not require any a priori geometric information such as direction or degree. Second, connectivity between detected nodes is determined via the solution of a Binary Integer Program (BIP) whose variables determine whether a potential edge between nodes is or is not included in the final graph. The utility function in this problem reflects both intensity-based and structural information along the path connecting the two nodes. Qualitative and quantitative results confirm the usefulness and accuracy of this method. This approach provides a mean of correctly capturing the connectivity patterns in vessels that are missed by more traditional segmentation and binarization schemes because of imperfections in the images which manifest as dim or broken vessels. Copyright © 2014 Elsevier B.V. All rights reserved.

Enhancing quantum annealing performance for the molecular similarity problem

NASA Astrophysics Data System (ADS)

Hernandez, Maritza; Aramon, Maliheh

2017-05-01

Quantum annealing is a promising technique which leverages quantum mechanics to solve hard optimization problems. Considerable progress has been made in the development of a physical quantum annealer, motivating the study of methods to enhance the efficiency of such a solver. In this work, we present a quantum annealing approach to measure similarity among molecular structures. Implementing real-world problems on a quantum annealer is challenging due to hardware limitations such as sparse connectivity, intrinsic control error, and limited precision. In order to overcome the limited connectivity, a problem must be reformulated using minor-embedding techniques. Using a real data set, we investigate the performance of a quantum annealer in solving the molecular similarity problem. We provide experimental evidence that common practices for embedding can be replaced by new alternatives which mitigate some of the hardware limitations and enhance its performance. Common practices for embedding include minimizing either the number of qubits or the chain length and determining the strength of ferromagnetic couplers empirically. We show that current criteria for selecting an embedding do not improve the hardware's performance for the molecular similarity problem. Furthermore, we use a theoretical approach to determine the strength of ferromagnetic couplers. Such an approach removes the computational burden of the current empirical approaches and also results in hardware solutions that can benefit from simple local classical improvement. Although our results are limited to the problems considered here, they can be generalized to guide future benchmarking studies.

On mathematical modelling of aeroelastic problems with finite element method

NASA Astrophysics Data System (ADS)

Sváček, Petr

2018-06-01

This paper is interested in solution of two-dimensional aeroelastic problems. Two mathematical models are compared for a benchmark problem. First, the classical approach of linearized aerodynamical forces is described to determine the aeroelastic instability and the aeroelastic response in terms of frequency and damping coefficient. This approach is compared to the coupled fluid-structure model solved with the aid of finite element method used for approximation of the incompressible Navier-Stokes equations. The finite element approximations are coupled to the non-linear motion equations of a flexibly supported airfoil. Both methods are first compared for the case of small displacement, where the linearized approach can be well adopted. The influence of nonlinearities for the case of post-critical regime is discussed.

A finite state, finite memory minimum principle, part 2. [a discussion of game theory, signaling, stochastic processes, and control theory

NASA Technical Reports Server (NTRS)

Sandell, N. R., Jr.; Athans, M.

1975-01-01

The development of the theory of the finite - state, finite - memory (FSFM) stochastic control problem is discussed. The sufficiency of the FSFM minimum principle (which is in general only a necessary condition) was investigated. By introducing the notion of a signaling strategy as defined in the literature on games, conditions under which the FSFM minimum principle is sufficient were determined. This result explicitly interconnects the information structure of the FSFM problem with its optimality conditions. The min-H algorithm for the FSFM problem was studied. It is demonstrated that a version of the algorithm always converges to a particular type of local minimum termed a person - by - person extremal.

Recent advances in computational structural reliability analysis methods

NASA Astrophysics Data System (ADS)

Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

1993-10-01

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Recent advances in computational structural reliability analysis methods

NASA Technical Reports Server (NTRS)

Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

1993-01-01

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Local Atomic Arrangements and Band Structure of Boron Carbide.

PubMed

Rasim, Karsten; Ramlau, Reiner; Leithe-Jasper, Andreas; Mori, Takao; Burkhardt, Ulrich; Borrmann, Horst; Schnelle, Walter; Carbogno, Christian; Scheffler, Matthias; Grin, Yuri

2018-05-22

Boron carbide, the simple chemical combination of boron and carbon, is one of the best-known binary ceramic materials. Despite that, a coherent description of its crystal structure and physical properties resembles one of the most challenging problems in materials science. By combining ab initio computational studies, precise crystal structure determination from diffraction experiments, and state-of-the-art high-resolution transmission electron microscopy imaging, this concerted investigation reveals hitherto unknown local structure modifications together with the known structural alterations. The mixture of different local atomic arrangements within the real crystal structure reduces the electron deficiency of the pristine structure CBC+B 12 , answering the question about electron precise character of boron carbide and introducing new electronic states within the band gap, which allow a better understanding of physical properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Free energy minimization to predict RNA secondary structures and computational RNA design.

PubMed

Churkin, Alexander; Weinbrand, Lina; Barash, Danny

2015-01-01

Determining the RNA secondary structure from sequence data by computational predictions is a long-standing problem. Its solution has been approached in two distinctive ways. If a multiple sequence alignment of a collection of homologous sequences is available, the comparative method uses phylogeny to determine conserved base pairs that are more likely to form as a result of billions of years of evolution than by chance. In the case of single sequences, recursive algorithms that compute free energy structures by using empirically derived energy parameters have been developed. This latter approach of RNA folding prediction by energy minimization is widely used to predict RNA secondary structure from sequence. For a significant number of RNA molecules, the secondary structure of the RNA molecule is indicative of its function and its computational prediction by minimizing its free energy is important for its functional analysis. A general method for free energy minimization to predict RNA secondary structures is dynamic programming, although other optimization methods have been developed as well along with empirically derived energy parameters. In this chapter, we introduce and illustrate by examples the approach of free energy minimization to predict RNA secondary structures.

Control of large space structures

NASA Technical Reports Server (NTRS)

Gran, R.; Rossi, M.; Moyer, H. G.; Austin, F.

1979-01-01

The control of large space structures was studied to determine what, if any, limitations are imposed on the size of spacecraft which may be controlled using current control system design technology. Using a typical structure in the 35 to 70 meter size category, a control system design that used actuators that are currently available was designed. The amount of control power required to maintain the vehicle in a stabilized gravity gradient pointing orientation that also damped various structural motions was determined. The moment of inertia and mass properties of this structure were varied to verify that stability and performance were maintained. The study concludes that the structure's size is required to change by at least a factor of two before any stability problems arise. The stability margin that is lost is due to the scaling of the gravity gradient torques (the rigid body control) and as such can easily be corrected by changing the control gains associated with the rigid body control. A secondary conclusion from the study is that the control design that accommodates the structural motions (to damp them) is a little more sensitive than the design that works on attitude control of the rigid body only.

Optimizing model: insemination, replacement, seasonal production, and cash flow.

PubMed

DeLorenzo, M A; Spreen, T H; Bryan, G R; Beede, D K; Van Arendonk, J A

1992-03-01

Dynamic programming to solve the Markov decision process problem of optimal insemination and replacement decisions was adapted to address large dairy herd management decision problems in the US. Expected net present values of cow states (151,200) were used to determine the optimal policy. States were specified by class of parity (n = 12), production level (n = 15), month of calving (n = 12), month of lactation (n = 16), and days open (n = 7). Methodology optimized decisions based on net present value of an individual cow and all replacements over a 20-yr decision horizon. Length of decision horizon was chosen to ensure that optimal policies were determined for an infinite planning horizon. Optimization took 286 s of central processing unit time. The final probability transition matrix was determined, in part, by the optimal policy. It was estimated iteratively to determine post-optimization steady state herd structure, milk production, replacement, feed inputs and costs, and resulting cash flow on a calendar month and annual basis if optimal policies were implemented. Implementation of the model included seasonal effects on lactation curve shapes, estrus detection rates, pregnancy rates, milk prices, replacement costs, cull prices, and genetic progress. Other inputs included calf values, values of dietary TDN and CP per kilogram, and discount rate. Stochastic elements included conception (and, thus, subsequent freshening), cow milk production level within herd, and survival. Validation of optimized solutions was by separate simulation model, which implemented policies on a simulated herd and also described herd dynamics during transition to optimized structure.

Knowledge-based nursing diagnosis

NASA Astrophysics Data System (ADS)

Roy, Claudette; Hay, D. Robert

1991-03-01

Nursing diagnosis is an integral part of the nursing process and determines the interventions leading to outcomes for which the nurse is accountable. Diagnoses under the time constraints of modern nursing can benefit from a computer assist. A knowledge-based engineering approach was developed to address these problems. A number of problems were addressed during system design to make the system practical extended beyond capture of knowledge. The issues involved in implementing a professional knowledge base in a clinical setting are discussed. System functions, structure, interfaces, health care environment, and terminology and taxonomy are discussed. An integrated system concept from assessment through intervention and evaluation is outlined.

NiO: correlated band structure of a charge-transfer insulator.

PubMed

Kunes, J; Anisimov, V I; Skornyakov, S L; Lukoyanov, A V; Vollhardt, D

2007-10-12

The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a Hamiltonian which includes both Ni d and O p orbitals we find excellent agreement with the energy bands determined from angle-resolved photoemission spectroscopy. This brings an important progress in a long-standing problem of solid-state theory. Most notably we obtain the low-energy Zhang-Rice bands with strongly k-dependent orbital character discussed previously in the context of low-energy model theories.

Study of foldable elastic tubes for large space structure applications, phase 1

NASA Technical Reports Server (NTRS)

Jones, I. W.; Boateng, C.; Williams, C. D.

1980-01-01

Structural members that might be suitable for strain energy deployable structures, are discussed with emphasis on a thin-walled cylindrical tube with a cross-section that is called 'bi-convex'. The design of bi-convex tube test specimens and their fabrication are described as well as the design and construction of a special purpose testing machine to determine the deployment characteristics. The results of the first series of tests were quite mixed, but clearly revealed that since most of the specimens failed to deploy completely, due to a buckling problem, this type of tube requires some modification in order to be viable.

Structure Analyses of Highly Symmetric Superstructures Formed by Rodlike Mesogen

NASA Astrophysics Data System (ADS)

Saito, Kazuya; Kutsumizu, Shoichi

Process of structure determination of liquid-crystalline superstructures formed in a mesogenic series, bis(n-alkoxybenzoyl)hydrazine[BABH(n) ; n, the number of carbon atoms in the alkoxy group], is described. The chain-length (n) dependence of relative diffraction intensities from the Ia3d phase resolves the phase problem, leading to the structural description that the molecular centers are on the rods forming two interpenetrating jungle gyms. Theoretical consideration on the stability of superstructures and systematic MEM analysis reveal the coexistence of two aggregation modes (rods forming an extending jungle gym and closed sheets forming spherical shells) for the Im3m phase.

Local atomic structure of Fe/Cr multilayers: Depth-resolved method

NASA Astrophysics Data System (ADS)

Babanov, Yu. A.; Ponomarev, D. A.; Devyaterikov, D. I.; Salamatov, Yu. A.; Romashev, L. N.; Ustinov, V. V.; Vasin, V. V.; Ageev, A. L.

2017-10-01

A depth-resolved method for the investigation of the local atomic structure by combining data of X-ray reflectivity and angle-resolved EXAFS is proposed. The solution of the problem can be divided into three stages: 1) determination of the element concentration profile with the depth z from X-ray reflectivity data, 2) determination of the X-ray fluorescence emission spectrum of the element i absorption coefficient μia (z,E) as a function of depth and photon energy E using the angle-resolved EXAFS data Iif (E , ϑl) , 3) determination of partial correlation functions gij (z , r) as a function of depth from μi (z , E) . All stages of the proposed method are demonstrated on a model example of a multilayer nanoheterostructure Cr/Fe/Cr/Al2O3. Three partial pair correlation functions are obtained. A modified Levenberg-Marquardt algorithm and a regularization method are applied.

Some New Results in Astrophysical Problems of Nonlinear Theory of Radiative Transfer

NASA Astrophysics Data System (ADS)

Pikichyan, H. V.

2017-07-01

In the interpretation of the observed astrophysical spectra, a decisive role is related to nonlinear problems of radiative transfer, because the processes of multiple interactions of matter of cosmic medium with the exciting intense radiation ubiquitously occur in astrophysical objects, and in their vicinities. Whereas, the intensity of the exciting radiation changes the physical properties of the original medium, and itself was modified, simultaneously, in a self-consistent manner under its influence. In the present report, we show that the consistent application of the principle of invariance in the nonlinear problem of bilateral external illumination of a scattering/absorbing one-dimensional anisotropic medium of finite geometrical thickness allows for simplifications that were previously considered as a prerogative only of linear problems. The nonlinear problem is analyzed through the three methods of the principle of invariance: (i) an adding of layers, (ii) its limiting form, described by differential equations of invariant imbedding, and (iii) a transition to the, so-called, functional equations of the "Ambartsumyan's complete invariance". Thereby, as an alternative to the Boltzmann equation, a new type of equations, so-called "kinetic equations of equivalence", are obtained. By the introduction of new functions - the so-called "linear images" of solution of nonlinear problem of radiative transfer, the linear structure of the solution of the nonlinear problem under study is further revealed. Linear images allow to convert naturally the statistical characteristics of random walk of a "single quantum" or their "beam of unit intensity", as well as widely known "probabilistic interpretation of phenomena of transfer", to the field of nonlinear problems. The structure of the equations obtained for determination of linear images is typical of linear problems.

A study of fluid-structure problems

NASA Astrophysics Data System (ADS)

Lam, Dennis Kang-Por

The stability of structures with and without fluid load is investigated. A method is developed for determining the fluid load in terms of added structural mass. Finite element methods are employed to study the buckling of a cylindrical shell under axial compression and liquid storage tanks under hydrodynamic load. Both linear and nonlinear analyses are performed. Diamond modes are found to be the possible postbuckling shapes of the cylindrical shell. Local buckling including elephant-foot buckle and diamond buckle are found for the liquid storage tank models. Comparison between the linear and nonlinear results indicates a substantial difference in buckling mode shapes, though the buckling loads are close to each other. The method for determining the hydrodynamic mass is applied to the impeller stage of a centrifugal pump. The method is based on a linear perturbation technique which assumes that the disturbance in the flow boundaries and velocities caused by the motion of the structure is small. A potential method is used to estimate the velocity flow field. The hydrodynamic mass is then obtained by calculating the total force which results from the pressure induced by a perturbation of the structure.

Research Projects in Physics: A Mechanism for Teaching Ill-Structured Problem Solving

NASA Astrophysics Data System (ADS)

Milbourne, Jeff; Bennett, Jonathan

2017-10-01

Physics education research has a tradition of studying problem solving, exploring themes such as physical intuition and differences between expert and novice problem solvers. However, most of this work has focused on traditional, or well-structured, problems, similar to what might appear in a textbook. Less work has been done with open-ended, or ill-structured, problems, similar to the types of problems students might face in their professional lives. Given the national discourse on educational system reform aligned with 21st century skills, including problem solving, it is critical to provide educational experiences that help students learn to solve all types of problems, including ill-structured problems.

Structural testing for static failure, flutter and other scary things

NASA Technical Reports Server (NTRS)

Ricketts, R. H.

1983-01-01

Ground test and flight test methods are described that may be used to highlight potential structural problems that occur on aircraft. Primary interest is focused on light-weight general aviation airplanes. The structural problems described include static strength failure, aileron reversal, static divergence, and flutter. An example of each of the problems is discussed to illustrate how the data acquired during the tests may be used to predict the occurrence of the structural problem. While some rules of thumb for the prediction of structural problems are given the report is not intended to be used explicitly as a structural analysis handbook.

Hot topics: Signal processing in acoustics

NASA Astrophysics Data System (ADS)

Gaumond, Charles F.

2005-09-01

Signal processing in acoustics is a multidisciplinary group of people that work in many areas of acoustics. We have chosen two areas that have shown exciting new applications of signal processing to acoustics or have shown exciting and important results from the use of signal processing. In this session, two hot topics are shown: the use of noiselike acoustic fields to determine sound propagation structure and the use of localization to determine animal behaviors. The first topic shows the application of correlation on geo-acoustic fields to determine the Greens function for propagation through the Earth. These results can then be further used to solve geo-acoustic inverse problems. The first topic also shows the application of correlation using oceanic noise fields to determine the Greens function through the ocean. These results also have utility for oceanic inverse problems. The second topic shows exciting results from the detection, localization, and tracking of marine mammals by two different groups. Results from detection and localization of bullfrogs are shown, too. Each of these studies contributed to the knowledge of animal behavior. [Work supported by ONR.

Multiscale global identification of porous structures

NASA Astrophysics Data System (ADS)

Hatłas, Marcin; Beluch, Witold

2018-01-01

The paper is devoted to the evolutionary identification of the material constants of porous structures based on measurements conducted on a macro scale. Numerical homogenization with the RVE concept is used to determine the equivalent properties of a macroscopically homogeneous material. Finite element method software is applied to solve the boundary-value problem in both scales. Global optimization methods in form of evolutionary algorithm are employed to solve the identification task. Modal analysis is performed to collect the data necessary for the identification. A numerical example presenting the effectiveness of proposed attitude is attached.

Rational positive real approximations for LQG optimal compensators arising in active stabilization of flexible structures

NASA Technical Reports Server (NTRS)

Desantis, A.

1994-01-01

In this paper the approximation problem for a class of optimal compensators for flexible structures is considered. The particular case of a simply supported truss with an offset antenna is dealt with. The nonrational positive real optimal compensator transfer function is determined, and it is proposed that an approximation scheme based on a continued fraction expansion method be used. Comparison with the more popular modal expansion technique is performed in terms of stability margin and parameters sensitivity of the relative approximated closed loop transfer functions.

An automated method for the determination of deoxyribonuclease activity as exemplified by fractionation of the components of the medicament Varidase®

PubMed Central

Locke, I. C.; Ramsey, M. P.; Hill, S. S.; Carpenter, B. G.

1993-01-01

The activity of most deoxyribonuclease enzymes can be monitored by measuring the change in absorbance at 260 nm which accompanies the breakdown of the double-stranded structure of native DNA. An automated method for determining deoxyribonuclease activity, based on such an absorbance change, which can overcome problems of inhibition arising from the presence of inorganic cations, is described. Variations in inorganic cation concentration is a particular problem when measuring the activity of chromatographic fractions eluted via a salt gradient. A comparison is made between the automated and a manual method for the assay of deoxyribonuclease active constituents, of the medicament ‘Varidase’, eluted from a Cellex-D (Bio-Rad Laboratories Ltd) anionic exchange resin using a 0.05-1.0 M sodium chloride gradient. PMID:18924962

Determination of domain wall chirality using in situ Lorentz transmission electron microscopy

DOE PAGES

Chess, Jordan J.; Montoya, Sergio A.; Fullerton, Eric E.; ...

2017-02-23

Controlling domain wall chirality is increasingly seen in non-centrosymmetric materials. Mapping chiral magnetic domains requires knowledge about all the vector components of the magnetization, which poses a problem for conventional Lorentz transmission electron microscopy (LTEM) that is only sensitive to magnetic fields perpendicular to the electron beams direction of travel. The standard approach in LTEM for determining the third component of the magnetization is to tilt the sample to some angle and record a second image. Furthermore, this presents a problem for any domain structures that are stabilized by an applied external magnetic field (e.g. skyrmions), because the standard LTEMmore » setup does not allow independent control of the angle of an applied magnetic field, and sample tilt angle. Here we show that applying a modified transport of intensity equation analysis to LTEM images collected during an applied field sweep, we can determine the domain wall chirality of labyrinth domains in a perpendicularly magnetized material, avoiding the need to tilt the sample.« less

Determination of domain wall chirality using in situ Lorentz transmission electron microscopy

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

Chess, Jordan J.; Montoya, Sergio A.; Fullerton, Eric E.

Controlling domain wall chirality is increasingly seen in non-centrosymmetric materials. Mapping chiral magnetic domains requires knowledge about all the vector components of the magnetization, which poses a problem for conventional Lorentz transmission electron microscopy (LTEM) that is only sensitive to magnetic fields perpendicular to the electron beams direction of travel. The standard approach in LTEM for determining the third component of the magnetization is to tilt the sample to some angle and record a second image. Furthermore, this presents a problem for any domain structures that are stabilized by an applied external magnetic field (e.g. skyrmions), because the standard LTEMmore » setup does not allow independent control of the angle of an applied magnetic field, and sample tilt angle. Here we show that applying a modified transport of intensity equation analysis to LTEM images collected during an applied field sweep, we can determine the domain wall chirality of labyrinth domains in a perpendicularly magnetized material, avoiding the need to tilt the sample.« less

The use of color infrared aerial photography in determining salt marsh vegetation and delimiting man-made structures of Lynnhaven Bay, Virginia. M.S. Thesis

NASA Technical Reports Server (NTRS)

Holman, R. E., III

1974-01-01

Color infrared aerial photography was found to be superior to color aerial photography in an ecological study of Lynnhaven Bay, Virginia. The research was divided into three phases: (1) Determination of the feasibility of correlating color infrared aerial photography with saline wetland species composition and zonation patterns, (2) determination of the accuracy of the aerial interpretation and problems related to the aerial method used; and (3) comparison of developed with undeveloped areas along Lynnhaven Bay's shoreline. Wetland species composition and plant community zonation bands were compared with aerial infrared photography and resulted in a high degree of correlation. Problems existed with changing physical conditions; time of day, aircraft angle and sun angle, making it necessary to use several different characteristics in wetland species identification. The main characteristics used were known zonation patterns, textural signatures and color tones. Lynnhaven Bay's shoreline was 61.5 percent developed.

Modelling high data rate communication network access protocol

NASA Technical Reports Server (NTRS)

Khanna, S.; Foudriat, E. C.; Paterra, Frank; Maly, Kurt J.; Overstreet, C. Michael

1990-01-01

Modeling of high data rate communication systems is different from the low data rate systems. Three simulations were built during the development phase of Carrier Sensed Multiple Access/Ring Network (CSMA/RN) modeling. The first was a model using SIMCRIPT based upon the determination and processing of each event at each node. The second simulation was developed in C based upon isolating the distinct object that can be identified as the ring, the message, the node, and the set of critical events. The third model further identified the basic network functionality by creating a single object, the node which includes the set of critical events which occur at the node. The ring structure is implicit in the node structure. This model was also built in C. Each model is discussed and their features compared. It should be stated that the language used was mainly selected by the model developer because of his past familiarity. Further the models were not built with the intent to compare either structure or language but because the complexity of the problem and initial results contained obvious errors, so alternative models were built to isolate, determine, and correct programming and modeling errors. The CSMA/RN protocol is discussed in sufficient detail to understand modeling complexities. Each model is described along with its features and problems. The models are compared and concluding observations and remarks are presented.

On the problem of resonance assignments in solid state NMR of uniformly 15N, 13C-labeled proteins

NASA Astrophysics Data System (ADS)

Tycko, Robert

2015-04-01

Determination of accurate resonance assignments from multidimensional chemical shift correlation spectra is one of the major problems in biomolecular solid state NMR, particularly for relative large proteins with less-than-ideal NMR linewidths. This article investigates the difficulty of resonance assignment, using a computational Monte Carlo/simulated annealing (MCSA) algorithm to search for assignments from artificial three-dimensional spectra that are constructed from the reported isotropic 15N and 13C chemical shifts of two proteins whose structures have been determined by solution NMR methods. The results demonstrate how assignment simulations can provide new insights into factors that affect the assignment process, which can then help guide the design of experimental strategies. Specifically, simulations are performed for the catalytic domain of SrtC (147 residues, primarily β-sheet secondary structure) and the N-terminal domain of MLKL (166 residues, primarily α-helical secondary structure). Assuming unambiguous residue-type assignments and four ideal three-dimensional data sets (NCACX, NCOCX, CONCA, and CANCA), uncertainties in chemical shifts must be less than 0.4 ppm for assignments for SrtC to be unique, and less than 0.2 ppm for MLKL. Eliminating CANCA data has no significant effect, but additionally eliminating CONCA data leads to more stringent requirements for chemical shift precision. Introducing moderate ambiguities in residue-type assignments does not have a significant effect.

Distributed Prognostics based on Structural Model Decomposition

NASA Technical Reports Server (NTRS)

Daigle, Matthew J.; Bregon, Anibal; Roychoudhury, I.

2014-01-01

Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based models are constructed that describe the operation of a system and how it fails. Such approaches consist of an estimation phase, in which the health state of the system is first identified, and a prediction phase, in which the health state is projected forward in time to determine the end of life. Centralized solutions to these problems are often computationally expensive, do not scale well as the size of the system grows, and introduce a single point of failure. In this paper, we propose a novel distributed model-based prognostics scheme that formally describes how to decompose both the estimation and prediction problems into independent local subproblems whose solutions may be easily composed into a global solution. The decomposition of the prognostics problem is achieved through structural decomposition of the underlying models. The decomposition algorithm creates from the global system model a set of local submodels suitable for prognostics. Independent local estimation and prediction problems are formed based on these local submodels, resulting in a scalable distributed prognostics approach that allows the local subproblems to be solved in parallel, thus offering increases in computational efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the distributed approach, compare the performance with a centralized approach, and establish its scalability. Index Terms-model-based prognostics, distributed prognostics, structural model decomposition ABBREVIATIONS

Energy-Efficient Cognitive Radio Sensor Networks: Parametric and Convex Transformations

PubMed Central

Naeem, Muhammad; Illanko, Kandasamy; Karmokar, Ashok; Anpalagan, Alagan; Jaseemuddin, Muhammad

2013-01-01

Designing energy-efficient cognitive radio sensor networks is important to intelligently use battery energy and to maximize the sensor network life. In this paper, the problem of determining the power allocation that maximizes the energy-efficiency of cognitive radio-based wireless sensor networks is formed as a constrained optimization problem, where the objective function is the ratio of network throughput and the network power. The proposed constrained optimization problem belongs to a class of nonlinear fractional programming problems. Charnes-Cooper Transformation is used to transform the nonlinear fractional problem into an equivalent concave optimization problem. The structure of the power allocation policy for the transformed concave problem is found to be of a water-filling type. The problem is also transformed into a parametric form for which a ε-optimal iterative solution exists. The convergence of the iterative algorithms is proven, and numerical solutions are presented. The iterative solutions are compared with the optimal solution obtained from the transformed concave problem, and the effects of different system parameters (interference threshold level, the number of primary users and secondary sensor nodes) on the performance of the proposed algorithms are investigated. PMID:23966194

A tabu search evalutionary algorithm for multiobjective optimization: Application to a bi-criterion aircraft structural reliability problem

NASA Astrophysics Data System (ADS)

Long, Kim Chenming

Real-world engineering optimization problems often require the consideration of multiple conflicting and noncommensurate objectives, subject to nonconvex constraint regions in a high-dimensional decision space. Further challenges occur for combinatorial multiobjective problems in which the decision variables are not continuous. Traditional multiobjective optimization methods of operations research, such as weighting and epsilon constraint methods, are ill-suited to solving these complex, multiobjective problems. This has given rise to the application of a wide range of metaheuristic optimization algorithms, such as evolutionary, particle swarm, simulated annealing, and ant colony methods, to multiobjective optimization. Several multiobjective evolutionary algorithms have been developed, including the strength Pareto evolutionary algorithm (SPEA) and the non-dominated sorting genetic algorithm (NSGA), for determining the Pareto-optimal set of non-dominated solutions. Although numerous researchers have developed a wide range of multiobjective optimization algorithms, there is a continuing need to construct computationally efficient algorithms with an improved ability to converge to globally non-dominated solutions along the Pareto-optimal front for complex, large-scale, multiobjective engineering optimization problems. This is particularly important when the multiple objective functions and constraints of the real-world system cannot be expressed in explicit mathematical representations. This research presents a novel metaheuristic evolutionary algorithm for complex multiobjective optimization problems, which combines the metaheuristic tabu search algorithm with the evolutionary algorithm (TSEA), as embodied in genetic algorithms. TSEA is successfully applied to bicriteria (i.e., structural reliability and retrofit cost) optimization of the aircraft tail structure fatigue life, which increases its reliability by prolonging fatigue life. A comparison for this application of the proposed algorithm, TSEA, with several state-of-the-art multiobjective optimization algorithms reveals that TSEA outperforms these algorithms by providing retrofit solutions with greater reliability for the same costs (i.e., closer to the Pareto-optimal front) after the algorithms are executed for the same number of generations. This research also demonstrates that TSEA competes with and, in some situations, outperforms state-of-the-art multiobjective optimization algorithms such as NSGA II and SPEA 2 when applied to classic bicriteria test problems in the technical literature and other complex, sizable real-world applications. The successful implementation of TSEA contributes to the safety of aeronautical structures by providing a systematic way to guide aircraft structural retrofitting efforts, as well as a potentially useful algorithm for a wide range of multiobjective optimization problems in engineering and other fields.

Synchronization in dynamical networks with unconstrained structure switching

NASA Astrophysics Data System (ADS)

del Genio, Charo I.; Romance, Miguel; Criado, Regino; Boccaletti, Stefano

2015-12-01

We provide a rigorous solution to the problem of constructing a structural evolution for a network of coupled identical dynamical units that switches between specified topologies without constraints on their structure. The evolution of the structure is determined indirectly from a carefully built transformation of the eigenvector matrices of the coupling Laplacians, which are guaranteed to change smoothly in time. In turn, this allows one to extend the master stability function formalism, which can be used to assess the stability of a synchronized state. This approach is independent from the particular topologies that the network visits, and is not restricted to commuting structures. Also, it does not depend on the time scale of the evolution, which can be faster than, comparable to, or even secular with respect to the dynamics of the units.

MORE: mixed optimization for reverse engineering--an application to modeling biological networks response via sparse systems of nonlinear differential equations.

PubMed

Sambo, Francesco; de Oca, Marco A Montes; Di Camillo, Barbara; Toffolo, Gianna; Stützle, Thomas

2012-01-01

Reverse engineering is the problem of inferring the structure of a network of interactions between biological variables from a set of observations. In this paper, we propose an optimization algorithm, called MORE, for the reverse engineering of biological networks from time series data. The model inferred by MORE is a sparse system of nonlinear differential equations, complex enough to realistically describe the dynamics of a biological system. MORE tackles separately the discrete component of the problem, the determination of the biological network topology, and the continuous component of the problem, the strength of the interactions. This approach allows us both to enforce system sparsity, by globally constraining the number of edges, and to integrate a priori information about the structure of the underlying interaction network. Experimental results on simulated and real-world networks show that the mixed discrete/continuous optimization approach of MORE significantly outperforms standard continuous optimization and that MORE is competitive with the state of the art in terms of accuracy of the inferred networks.

Team-Based Learning in a Subsection of a Veterinary Course as Compared to Standard Lectures

ERIC Educational Resources Information Center

Malone, Erin; Spieth, Amie

2012-01-01

Team-Based Learning (TBL) maximizes class time for student practice in complex problems using peer learning in an instructor-guided format. Generally entire courses are structured using the comprehensive guidelines of TBL. We used TBL in a subsection of a veterinary course to determine if it remained effective in this format. One section of the…

Medical Holography for Basic Anatomy Training

DTIC Science & Technology

2013-12-01

Interservicel!ndustry Training, Simulation, and Education Conference (l/ITSEC) 2013 Medical Holography for Basic Anatomy Training Matthew Hackett...to the complex 3D structures inherent in human anatomy . One potential solution to this problem is to present medical content in three dimensions...traditional format via textbook handouts or through holography. Cognitive load analysis was performed to determine if a difference in cognitive effort was

Hydrophilic Inorganic Macro-Ions in Solution: Unprecedented Self-Assembly Emerging from Historical "Blue Waters"

ERIC Educational Resources Information Center

Liu, Tianbo; Diemann, Ekkehard; Muller, Achim

2007-01-01

For more than 200 years, the beautiful "molybdenum blue solutions" have been a puzzle for chemists because they could not determine the molecular structures of the solutes while experiments showing the Tyndall effect proved the presence of "giant species". This problem was finally solved in Bielefeld. As a result of this discovery, novel inorganic…

The Issue of Education Supervision in Turkey in the Views of Teachers, Administrators, Supervisors and Lecturers

ERIC Educational Resources Information Center

Memduhoglu, Hasan Basri

2012-01-01

The aim of this study is to determine the views of teachers, administrators, supervisors and lecturers that are experts in their fields as people having roles in education regarding the aim, structure, process, strong sides and main problems of the education supervision in Turkey. In this research, the scanning model research was employed through…

Preservice Teachers' Use of Spatio-Visual Elements and their Level of Justification Dealing with a Geometrical Construction Problem

ERIC Educational Resources Information Center

Tapan, Menekse Seden; Arslan, Cigdem

2009-01-01

The main purpose of this research is to determine to what extent preservice teachers use visual elements and mathematical properties when they are dealing with a geometrical construction activity. The axiomatic structure of the Euclidian geometry forms a coherent field of objects and relations of a theoretical nature; and thus it constitutes a…

Risk Management using Dependency Stucture Matrix

NASA Astrophysics Data System (ADS)

Petković, Ivan

2011-09-01

An efficient method based on dependency structure matrix (DSM) analysis is given for ranking risks in a complex system or process whose entities are mutually dependent. This rank is determined according to the element's values of the unique positive eigenvector which corresponds to the matrix spectral radius modeling the considered engineering system. For demonstration, the risk problem of NASA's robotic spacecraft is analyzed.

Structural dynamics payload loads estimates: User guide

NASA Technical Reports Server (NTRS)

Shanahan, T. G.; Engels, R. C.

1982-01-01

This User Guide with an overview of an integration scheme to determine the response of a launch vehicle with multiple payloads. Chapter II discusses the software package associated with the integration scheme together with several sample problems. A short cut version of the integration technique is also discussed. The Guide concludes with a list of references and the listings of the subroutines.

Screening ADHD Problems in the Sports Behavior Checklist: Factor Structure, Convergent and Divergent Validity, and Group Differences

ERIC Educational Resources Information Center

Clendenin, Aaron A.; Businelle, Michael S.; Kelley, Mary Lou

2005-01-01

The Sports Behavior Checklist (SBC) is subjected to a principal components analysis, and subscales are correlated with subscales of the Conners' Revised Parent Form and the Social Skills Rating System. Both of these analyses are conducted to determine the construct validity of the instrument. A subsample of lower socioeconomic status individuals…

The mechanics of delamination in fiber-reinforced composite materials. Part 1: Stress singularities and solution structure

NASA Technical Reports Server (NTRS)

Wang, S. S.; Choi, I.

1983-01-01

The fundamental mechanics of delamination in fiber composite laminates is studied. Mathematical formulation of the problem is based on laminate anisotropic elasticity theory and interlaminar fracture mechanics concepts. Stress singularities and complete solution structures associated with general composite delaminations are determined. For a fully open delamination with traction-free surfaces, oscillatory stress singularities always appear, leading to physically inadmissible field solutions. A refined model is introduced by considering a partially closed delamination with crack surfaces in finite-length contact. Stress singularities associated with a partially closed delamination having frictional crack-surface contact are determined, and are found to be diferent from the inverse square-root one of the frictionless-contact case. In the case of a delamination with very small area of crack closure, a simplified model having a square-root stress singularity is employed by taking the limit of the partially closed delamination. The possible presence of logarithmic-type stress singularity is examined; no logarithmic singularity of any kind is found in the composite delamination problem. Numerical examples of dominant stress singularities are shown for delaminations having crack-tip closure with different frictional coefficients between general (1) and (2) graphite-epoxy composites.

Thermal properties of composite materials : effective conductivity tensor and edge effects

NASA Astrophysics Data System (ADS)

Matine, A.; Boyard, N.; Cartraud, P.; Legrain, G.; Jarny, Y.

2012-11-01

The homogenization theory is a powerful approach to determine the effective thermal conductivity tensor of heterogeneous materials such as composites, including thermoset matrix and fibres. Once the effective properties are calculated, they can be used to solve a heat conduction problem on the composite structure at the macroscopic scale. This approach leads to good approximations of both the heat flux and temperature in the interior zone of the structure, however edge effects occur in the vicinity of the domain boundaries. In this paper, following the approach proposed in [10] for elasticity, it is shown how these edge effects can be corrected. Thus an additional asymptotic expansion is introduced, which plays the role of a edge effect term. This expansion tends to zero far from the boundary, and is assumed to decrease exponentially. Moreover, the length of the edge effect region can be determined from the solution of an eigenvalue problem. Numerical examples are considered for a standard multilayered material. The homogenized solutions computed with a finite element software, and corrected with the edge effect terms, are compared to a heterogeneous finite element solution at the microscopic scale. The influences of the thermal contrast and scale factor are illustrated for different kind of boundary conditions.

Application of Differential Evolutionary Optimization Methodology for Parameter Structure Identification in Groundwater Modeling

NASA Astrophysics Data System (ADS)

Chiu, Y.; Nishikawa, T.

2013-12-01

With the increasing complexity of parameter-structure identification (PSI) in groundwater modeling, there is a need for robust, fast, and accurate optimizers in the groundwater-hydrology field. For this work, PSI is defined as identifying parameter dimension, structure, and value. In this study, Voronoi tessellation and differential evolution (DE) are used to solve the optimal PSI problem. Voronoi tessellation is used for automatic parameterization, whereby stepwise regression and the error covariance matrix are used to determine the optimal parameter dimension. DE is a novel global optimizer that can be used to solve nonlinear, nondifferentiable, and multimodal optimization problems. It can be viewed as an improved version of genetic algorithms and employs a simple cycle of mutation, crossover, and selection operations. DE is used to estimate the optimal parameter structure and its associated values. A synthetic numerical experiment of continuous hydraulic conductivity distribution was conducted to demonstrate the proposed methodology. The results indicate that DE can identify the global optimum effectively and efficiently. A sensitivity analysis of the control parameters (i.e., the population size, mutation scaling factor, crossover rate, and mutation schemes) was performed to examine their influence on the objective function. The proposed DE was then applied to solve a complex parameter-estimation problem for a small desert groundwater basin in Southern California. Hydraulic conductivity, specific yield, specific storage, fault conductance, and recharge components were estimated simultaneously. Comparison of DE and a traditional gradient-based approach (PEST) shows DE to be more robust and efficient. The results of this work not only provide an alternative for PSI in groundwater models, but also extend DE applications towards solving complex, regional-scale water management optimization problems.

Mining method selection by integrated AHP and PROMETHEE method.

PubMed

Bogdanovic, Dejan; Nikolic, Djordje; Ilic, Ivana

2012-03-01

Selecting the best mining method among many alternatives is a multicriteria decision making problem. The aim of this paper is to demonstrate the implementation of an integrated approach that employs AHP and PROMETHEE together for selecting the most suitable mining method for the "Coka Marin" underground mine in Serbia. The related problem includes five possible mining methods and eleven criteria to evaluate them. Criteria are accurately chosen in order to cover the most important parameters that impact on the mining method selection, such as geological and geotechnical properties, economic parameters and geographical factors. The AHP is used to analyze the structure of the mining method selection problem and to determine weights of the criteria, and PROMETHEE method is used to obtain the final ranking and to make a sensitivity analysis by changing the weights. The results have shown that the proposed integrated method can be successfully used in solving mining engineering problems.

Eigenproblem solution by a combined Sturm sequence and inverse iteration technique.

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1973-01-01

Description of an efficient and numerically stable algorithm, along with a complete listing of the associated computer program, developed for the accurate computation of specified roots and associated vectors of the eigenvalue problem Aq = lambda Bq with band symmetric A and B, B being also positive-definite. The desired roots are first isolated by the Sturm sequence procedure; then a special variant of the inverse iteration technique is applied for the individual determination of each root along with its vector. The algorithm fully exploits the banded form of relevant matrices, and the associated program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be most significantly economical in comparison to similar existing procedures. The program may be conveniently utilized for the efficient solution of practical engineering problems, involving free vibration and buckling analysis of structures. Results of such analyses are presented for representative structures.

Sequencing of Dust Filter Production Process Using Design Structure Matrix (DSM)

NASA Astrophysics Data System (ADS)

Sari, R. M.; Matondang, A. R.; Syahputri, K.; Anizar; Siregar, I.; Rizkya, I.; Ursula, C.

2018-01-01

Metal casting company produces machinery spare part for manufactures. One of the product produced is dust filter. Most of palm oil mill used this product. Since it is used in most of palm oil mill, company often have problems to address this product. One of problem is the disordered of production process. It carried out by the job sequencing. The important job that should be solved first, least implement, while less important job and could be completed later, implemented first. Design Structure Matrix (DSM) used to analyse and determine priorities in the production process. DSM analysis is sort of production process through dependency sequencing. The result of dependency sequences shows the sequence process according to the inter-process linkage considering before and after activities. Finally, it demonstrates their activities to the coupled activities for metal smelting, refining, grinding, cutting container castings, metal expenditure of molds, metal casting, coating processes, and manufacture of molds of sand.

Optimization techniques applied to passive measures for in-orbit spacecraft survivability

NASA Technical Reports Server (NTRS)

Mog, Robert A.; Price, D. Marvin

1991-01-01

Spacecraft designers have always been concerned about the effects of meteoroid impacts on mission safety. The engineering solution to this problem has generally been to erect a bumper or shield placed outboard from the spacecraft wall to disrupt/deflect the incoming projectiles. Spacecraft designers have a number of tools at their disposal to aid in the design process. These include hypervelocity impact testing, analytic impact predictors, and hydrodynamic codes. Analytic impact predictors generally provide the best quick-look estimate of design tradeoffs. The most complete way to determine the characteristics of an analytic impact predictor is through optimization of the protective structures design problem formulated with the predictor of interest. Space Station Freedom protective structures design insight is provided through the coupling of design/material requirements, hypervelocity impact phenomenology, meteoroid and space debris environment sensitivities, optimization techniques and operations research strategies, and mission scenarios. Major results are presented.

Assessment of current state of the art in modeling techniques and analysis methods for large space structures

NASA Technical Reports Server (NTRS)

Noor, A. K.

1983-01-01

Advances in continuum modeling, progress in reduction methods, and analysis and modeling needs for large space structures are covered with specific attention given to repetitive lattice trusses. As far as continuum modeling is concerned, an effective and verified analysis capability exists for linear thermoelastic stress, birfurcation buckling, and free vibration problems of repetitive lattices. However, application of continuum modeling to nonlinear analysis needs more development. Reduction methods are very effective for bifurcation buckling and static (steady-state) nonlinear analysis. However, more work is needed to realize their full potential for nonlinear dynamic and time-dependent problems. As far as analysis and modeling needs are concerned, three areas are identified: loads determination, modeling and nonclassical behavior characteristics, and computational algorithms. The impact of new advances in computer hardware, software, integrated analysis, CAD/CAM stems, and materials technology is also discussed.

Synthesis of Greedy Algorithms Using Dominance Relations

NASA Technical Reports Server (NTRS)

Nedunuri, Srinivas; Smith, Douglas R.; Cook, William R.

2010-01-01

Greedy algorithms exploit problem structure and constraints to achieve linear-time performance. Yet there is still no completely satisfactory way of constructing greedy algorithms. For example, the Greedy Algorithm of Edmonds depends upon translating a problem into an algebraic structure called a matroid, but the existence of such a translation can be as hard to determine as the existence of a greedy algorithm itself. An alternative characterization of greedy algorithms is in terms of dominance relations, a well-known algorithmic technique used to prune search spaces. We demonstrate a process by which dominance relations can be methodically derived for a number of greedy algorithms, including activity selection, and prefix-free codes. By incorporating our approach into an existing framework for algorithm synthesis, we demonstrate that it could be the basis for an effective engineering method for greedy algorithms. We also compare our approach with other characterizations of greedy algorithms.

Close-Range Photogrammetry & Next Generation Spacecraft

NASA Technical Reports Server (NTRS)

Pappa, Richard S.

2002-01-01

NASA is focusing renewed attention on the topic of large, ultra-lightweight space structures, also known as 'gossamer' spacecraft. Nearly all of the details of the giant spacecraft are still to be worked out. But it's already clear that one of the most challenging aspects will be developing techniques to align and control these systems after they are deployed in space. A critical part of this process is creating new ground test methods to measure gossamer structures under stationary, deploying and vibrating conditions for validation of corresponding analytical predictions. In addressing this problem, I considered, first of all, the possibility of simply using conventional displacement or vibration sensor that could provide spatial measurements. Next, I turned my attention to photogrammetry, a method of determining the spatial coordinates of objects using photographs. The success of this research and development has convinced me that photogrammetry is the most suitable method to solve the gossamer measurement problem.

Overview of the carbon fiber problem

NASA Technical Reports Server (NTRS)

1979-01-01

Carbon fibers (CF) composite structures are being utilized more as alternatives to metals in both civilian and military applications. They are valued for their light weight and high strength as well as for their ease of designing structures with specific shapes and sizes. However, a problem may exist due to the high conductivity of CF. CF are manufactured from a precursor material which is subjected to great stress and heat treatment causing a change in the physical and electrical properties. The fibers are bound together by a matrix of epoxy. In the event of fire (aircraft accident) the epoxy would burn away releasing these fibers into the atmosphere. When these fibers come in contact with electronic equipment, they might cause damage to by settling on electrical junctions. An overview is given of the objectives for a study, and the approach and methodology developed for determination of risk profiles.

Studies on the primary structure of short polysaccharides using SEC MALDI mass spectroscopy.

PubMed

Garozzo, D; Spina, E; Cozzolino, R; Cescutti, P; Fett, W F

2000-01-12

The introduction of size-exclusion chromatography (SEC) analysis of polysaccharides prior to MALDI mass spectroscopy accounts for the determination of the molecular mass of the repeating unit when neutral homopolymers are investigated. In the case of natural polysaccharides characterised by more complicated structural features (presence of non-carbohydrate substituents, charged groups, etc.), this mass value usually is in agreement with more than one sugar composition. Therefore, it is not sufficient to give the correct monosaccharidic composition of the polysaccharide investigated. To solve this problem, MALDI spectra were recorded on the permethylated sample and post-source decay experiments were performed on precursor ions. In this way, the composition (in terms of Hex, HexNAc, etc.), size and sequence of the repeating unit were determined.

The role of under-determined approximations in engineering and science application

NASA Technical Reports Server (NTRS)

Carpenter, William C.

1992-01-01

There is currently a great deal of interest in using response surfaces in the optimization of aircraft performance. The objective function and/or constraint equations involved in these optimization problems may come from numerous disciplines such as structures, aerodynamics, environmental engineering, etc. In each of these disciplines, the mathematical complexity of the governing equations usually dictates that numerical results be obtained from large computer programs such as a finite element method program. Thus, when performing optimization studies, response surfaces are a convenient way of transferring information from the various disciplines to the optimization algorithm as opposed to bringing all the sundry computer programs together in a massive computer code. Response surfaces offer another advantage in the optimization of aircraft structures. A characteristic of these types of optimization problems is that evaluation of the objective function and response equations (referred to as a functional evaluation) can be very expensive in a computational sense. Because of the computational expense in obtaining functional evaluations, the present study was undertaken to investigate under-determinined approximations. An under-determined approximation is one in which there are fewer training pairs (pieces of information about a function) than there are undetermined parameters (coefficients or weights) associated with the approximation. Both polynomial approximations and neural net approximations were examined. Three main example problems were investigated: (1) a function of one design variable was considered; (2) a function of two design variables was considered; and (3) a 35 bar truss with 4 design variables was considered.

"All is well": professionals' documentation of social determinants of health in Swedish Child Health Services health records concerning maltreated children - a mixed method approach.

PubMed

Köhler, Marie; Rosvall, Maria; Emmelin, Maria

2016-08-15

Knowledge about social determinants of health has influenced global health strategies, including early childhood interventions. Some psychosocial circumstances - such as poverty, parental mental health problems, abuse and partner violence - increase the risk of child maltreatment and neglect. Healthcare professionals' awareness of psychosocial issues is of special interest, since they both have the possibility and the obligation to identify vulnerable children. Child Health Services health records of 100 children in Malmö, Sweden, who had been placed in, or were to be placed in family foster care, were compared with health records of a matched comparison group of 100 children who were not placed in care. A mixed-method approach integrating quantitative and qualitative analysis was applied. The documentation about the foster care group was more voluminous than for the comparison group. The content was problem-oriented and dominated by severe parental health and social problems, while the child's own experiences were neglected. The professionals documented interaction with healthcare and social functions, but very few reports to the Social Services were noted. For both groups, notes about social structures were almost absent. Child Health Service professionals facing vulnerable children document parental health issues and interaction with healthcare, but they fail to document living conditions thereby making social structures invisible in the health records. The child perspective is insufficiently integrated in the documentation and serious child protection needs remain unmet, if professionals avoid reporting to Social Services.

An inverse modeling approach for semilunar heart valve leaflet mechanics: exploitation of tissue structure.

PubMed

Aggarwal, Ankush; Sacks, Michael S

2016-08-01

Determining the biomechanical behavior of heart valve leaflet tissues in a noninvasive manner remains an important clinical goal. While advances in 3D imaging modalities have made in vivo valve geometric data available, optimal methods to exploit such information in order to obtain functional information remain to be established. Herein we present and evaluate a novel leaflet shape-based framework to estimate the biomechanical behavior of heart valves from surface deformations by exploiting tissue structure. We determined accuracy levels using an "ideal" in vitro dataset, in which the leaflet geometry, strains, mechanical behavior, and fibrous structure were known to a high level of precision. By utilizing a simplified structural model for the leaflet mechanical behavior, we were able to limit the number of parameters to be determined per leaflet to only two. This approach allowed us to dramatically reduce the computational time and easily visualize the cost function to guide the minimization process. We determined that the image resolution and the number of available imaging frames were important components in the accuracy of our framework. Furthermore, our results suggest that it is possible to detect differences in fiber structure using our framework, thus allowing an opportunity to diagnose asymptomatic valve diseases and begin treatment at their early stages. Lastly, we observed good agreement of the final resulting stress-strain response when an averaged fiber architecture was used. This suggests that population-averaged fiber structural data may be sufficient for the application of the present framework to in vivo studies, although clearly much work remains to extend the present approach to in vivo problems.

Measuring Moisture Levels in Graphite Epoxy Composite Sandwich Structures

NASA Technical Reports Server (NTRS)

Nurge, Mark; Youngquist, Robert; Starr, Stanley

2011-01-01

Graphite epoxy composite (GEC) materials are used in the construction of rocket fairings, nose cones, interstage adapters, and heat shields due to their high strength and light weight. However, they absorb moisture depending on the environmental conditions they are exposed to prior to launch. Too much moisture absorption can become a problem when temperature and pressure changes experienced during launch cause the water to vaporize. The rapid state change of the water can result in structural failure of the material. In addition, heat and moisture combine to weaken GEC structures. Diffusion models that predict the total accumulated moisture content based on the environmental conditions are one accepted method of determining if the material strength has been reduced to an unacceptable level. However, there currently doesn t exist any field measurement technique to estimate the actual moisture content of a composite structure. A multi-layer diffusion model was constructed with Mathematica to predict moisture absorption and desorption from the GEC sandwich structure. This model is used in conjunction with relative humidity/temperature sensors both on the inside and outside of the material to determine the moisture levels in the structure. Because the core materials have much higher diffusivity than the face sheets, a single relative humidity measurement will accurately reflect the moisture levels in the core. When combined with an external relative humidity measurement, the model can be used to determine the moisture levels in the face sheets. Since diffusion is temperaturedependent, the temperature measurements are used to determine the diffusivity of the face sheets for the model computations.

A Linear Programming Approach to Routing Control in Networks of Constrained Nonlinear Positive Systems with Concave Flow Rates

NASA Technical Reports Server (NTRS)

Arneson, Heather M.; Dousse, Nicholas; Langbort, Cedric

2014-01-01

We consider control design for positive compartmental systems in which each compartment's outflow rate is described by a concave function of the amount of material in the compartment.We address the problem of determining the routing of material between compartments to satisfy time-varying state constraints while ensuring that material reaches its intended destination over a finite time horizon. We give sufficient conditions for the existence of a time-varying state-dependent routing strategy which ensures that the closed-loop system satisfies basic network properties of positivity, conservation and interconnection while ensuring that capacity constraints are satisfied, when possible, or adjusted if a solution cannot be found. These conditions are formulated as a linear programming problem. Instances of this linear programming problem can be solved iteratively to generate a solution to the finite horizon routing problem. Results are given for the application of this control design method to an example problem. Key words: linear programming; control of networks; positive systems; controller constraints and structure.

Growth patterns for shape-shifting elastic bilayers.

PubMed

van Rees, Wim M; Vouga, Etienne; Mahadevan, L

2017-10-31

Inspired by the differential-growth-driven morphogenesis of leaves, flowers, and other tissues, there is increasing interest in artificial analogs of these shape-shifting thin sheets made of active materials that respond to environmental stimuli such as heat, light, and humidity. But how can we determine the growth patterns to achieve a given shape from another shape? We solve this geometric inverse problem of determining the growth factors and directions (the metric tensors) for a given isotropic elastic bilayer to grow into a target shape by posing and solving an elastic energy minimization problem. A mathematical equivalence between bilayers and curved monolayers simplifies the inverse problem considerably by providing algebraic expressions for the growth metric tensors in terms of those of the final shape. This approach also allows us to prove that we can grow any target surface from any reference surface using orthotropically growing bilayers. We demonstrate this by numerically simulating the growth of a flat sheet into a face, a cylindrical sheet into a flower, and a flat sheet into a complex canyon-like structure.

Growth patterns for shape-shifting elastic bilayers

PubMed Central

van Rees, Wim M.; Vouga, Etienne; Mahadevan, L.

2017-01-01

Inspired by the differential-growth-driven morphogenesis of leaves, flowers, and other tissues, there is increasing interest in artificial analogs of these shape-shifting thin sheets made of active materials that respond to environmental stimuli such as heat, light, and humidity. But how can we determine the growth patterns to achieve a given shape from another shape? We solve this geometric inverse problem of determining the growth factors and directions (the metric tensors) for a given isotropic elastic bilayer to grow into a target shape by posing and solving an elastic energy minimization problem. A mathematical equivalence between bilayers and curved monolayers simplifies the inverse problem considerably by providing algebraic expressions for the growth metric tensors in terms of those of the final shape. This approach also allows us to prove that we can grow any target surface from any reference surface using orthotropically growing bilayers. We demonstrate this by numerically simulating the growth of a flat sheet into a face, a cylindrical sheet into a flower, and a flat sheet into a complex canyon-like structure. PMID:29078336

Increased reliability of nuclear magnetic resonance protein structures by consensus structure bundles.

PubMed

Buchner, Lena; Güntert, Peter

2015-02-03

Nuclear magnetic resonance (NMR) structures are represented by bundles of conformers calculated from different randomized initial structures using identical experimental input data. The spread among these conformers indicates the precision of the atomic coordinates. However, there is as yet no reliable measure of structural accuracy, i.e., how close NMR conformers are to the "true" structure. Instead, the precision of structure bundles is widely (mis)interpreted as a measure of structural quality. Attempts to increase precision often overestimate accuracy by tight bundles of high precision but much lower accuracy. To overcome this problem, we introduce a protocol for NMR structure determination with the software package CYANA, which produces, like the traditional method, bundles of conformers in agreement with a common set of conformational restraints but with a realistic precision that is, throughout a variety of proteins and NMR data sets, a much better estimate of structural accuracy than the precision of conventional structure bundles. Copyright © 2015 Elsevier Ltd. All rights reserved.

Bayesian Factor Analysis as a Variable Selection Problem: Alternative Priors and Consequences

PubMed Central

Lu, Zhao-Hua; Chow, Sy-Miin; Loken, Eric

2016-01-01

Factor analysis is a popular statistical technique for multivariate data analysis. Developments in the structural equation modeling framework have enabled the use of hybrid confirmatory/exploratory approaches in which factor loading structures can be explored relatively flexibly within a confirmatory factor analysis (CFA) framework. Recently, a Bayesian structural equation modeling (BSEM) approach (Muthén & Asparouhov, 2012) has been proposed as a way to explore the presence of cross-loadings in CFA models. We show that the issue of determining factor loading patterns may be formulated as a Bayesian variable selection problem in which Muthén and Asparouhov’s approach can be regarded as a BSEM approach with ridge regression prior (BSEM-RP). We propose another Bayesian approach, denoted herein as the Bayesian structural equation modeling with spike and slab prior (BSEM-SSP), which serves as a one-stage alternative to the BSEM-RP. We review the theoretical advantages and disadvantages of both approaches and compare their empirical performance relative to two modification indices-based approaches and exploratory factor analysis with target rotation. A teacher stress scale data set (Byrne, 2012; Pettegrew & Wolf, 1982) is used to demonstrate our approach. PMID:27314566

A new pre-loaded beam geometric stiffness matrix with full rigid body capabilities

NASA Astrophysics Data System (ADS)

Bosela, P. A.; Fertis, D. G.; Shaker, F. J.

1992-09-01

Space structures, such as the Space Station solar arrays, must be extremely light-weight, flexible structures. Accurate prediction of the natural frequencies and mode shapes is essential for determining the structural adequacy of components, and designing a controls system. The tension pre-load in the 'blanket' of photovoltaic solar collectors, and the free/free boundary conditions of a structure in space, causes serious reservations on the use of standard finite element techniques of solution. In particular, a phenomenon known as 'grounding', or false stiffening, of the stiffness matrix occurs during rigid body rotation. The authors have previously shown that the grounding phenomenon is caused by a lack of rigid body rotational capability, and is typical in beam geometric stiffness matrices formulated by others, including those which contain higher order effects. The cause of the problem was identified as the force imbalance inherent in the formulations. In this paper, the authors develop a beam geometric stiffness matrix for a directed force problem, and show that the resultant global stiffness matrix contains complete rigid body mode capabilities, and performs very well in the diagonalization methodology customarily used in dynamic analysis.

The Effects of Schema-Broadening Instruction on Second Graders’ Word-Problem Performance and Their Ability to Represent Word Problems with Algebraic Equations: A Randomized Control Study

PubMed Central

Fuchs, Lynn S.; Zumeta, Rebecca O.; Schumacher, Robin Finelli; Powell, Sarah R.; Seethaler, Pamela M.; Hamlett, Carol L.; Fuchs, Douglas

2010-01-01

The purpose of this study was to assess the effects of schema-broadening instruction (SBI) on second graders’ word-problem-solving skills and their ability to represent the structure of word problems using algebraic equations. Teachers (n = 18) were randomly assigned to conventional word-problem instruction or SBI word-problem instruction, which taught students to represent the structural, defining features of word problems with overarching equations. Intervention lasted 16 weeks. We pretested and posttested 270 students on measures of word-problem skill; analyses that accounted for the nested structure of the data indicated superior word-problem learning for SBI students. Descriptive analyses of students’ word-problem work indicated that SBI helped students represent the structure of word problems with algebraic equations, suggesting that SBI promoted this aspect of students’ emerging algebraic reasoning. PMID:20539822

Core and peripheral criteria of video game addiction in the game addiction scale for adolescents.

PubMed

Brunborg, Geir Scott; Hanss, Daniel; Mentzoni, Rune Aune; Pallesen, Ståle

2015-05-01

Assessment of video game addiction often involves measurement of peripheral criteria that indicate high engagement with games, and core criteria that indicate problematic use of games. A survey of the Norwegian population aged 16-74 years (N=10,081, response rate 43.6%) was carried out in 2013, which included the Gaming Addiction Scale for Adolescents (GAS). Confirmatory factor analysis showed that a two-factor structure, which separated peripheral criteria from core criteria, fitted the data better (CFI=0.963; RMSEA=0.058) compared to the original one-factor solution where all items are determined to load only on one factor (CFI=0.905, RMSEA=0.089). This was also found when we analyzed men aged ≤33 years, men aged >33 years, women aged ≤33 years, and women aged >33 years separately. This indicates that the GAS measures both engagement and problems related to video games. Multi-group measurement invariance testing showed that the factor structure was valid in all four groups (configural invariance) for the two-factor structure but not for the one-factor structure. A novel approach to categorization of problem gamers and addicted gamers where only the core criteria items are used (the CORE 4 approach) was compared to the approach where all items are included (the GAS 7 approach). The current results suggest that the CORE 4 approach might be more appropriate for classification of problem gamers and addicted gamers compared to the GAS 7 approach.

Determination of Nonlinear Stiffness Coefficients for Finite Element Models with Application to the Random Vibration Problem

NASA Technical Reports Server (NTRS)

Muravyov, Alexander A.

1999-01-01

In this paper, a method for obtaining nonlinear stiffness coefficients in modal coordinates for geometrically nonlinear finite-element models is developed. The method requires application of a finite-element program with a geometrically non- linear static capability. The MSC/NASTRAN code is employed for this purpose. The equations of motion of a MDOF system are formulated in modal coordinates. A set of linear eigenvectors is used to approximate the solution of the nonlinear problem. The random vibration problem of the MDOF nonlinear system is then considered. The solutions obtained by application of two different versions of a stochastic linearization technique are compared with linear and exact (analytical) solutions in terms of root-mean-square (RMS) displacements and strains for a beam structure.

A Subspace Semi-Definite programming-based Underestimation (SSDU) method for stochastic global optimization in protein docking*

PubMed Central

Nan, Feng; Moghadasi, Mohammad; Vakili, Pirooz; Vajda, Sandor; Kozakov, Dima; Ch. Paschalidis, Ioannis

2015-01-01

We propose a new stochastic global optimization method targeting protein docking problems. The method is based on finding a general convex polynomial underestimator to the binding energy function in a permissive subspace that possesses a funnel-like structure. We use Principal Component Analysis (PCA) to determine such permissive subspaces. The problem of finding the general convex polynomial underestimator is reduced into the problem of ensuring that a certain polynomial is a Sum-of-Squares (SOS), which can be done via semi-definite programming. The underestimator is then used to bias sampling of the energy function in order to recover a deep minimum. We show that the proposed method significantly improves the quality of docked conformations compared to existing methods. PMID:25914440

New Computer Automated Holo-Photoelastic Method For Measuring Planar Principal Stress Magnitudes And Orientation

NASA Astrophysics Data System (ADS)

Brown, G. M.; Sullivan, J. L.

1987-09-01

A complete experimental determination of the stress and strain fields in an arbitrary deformed structure is generally unavailable. However, for two dimensional elasticity problems, such determinations are possible since in those cases one needs only to solve for three stresses (two normal and one shear). In fact, such determinations have been conducted quite often. By using isochromatic and isoclinic photoelastic data, the shear difference and numerical iteration techniques (1) and the least squares techniques (2) have been successfully used for complete stress field determinations of two dimensional elasticity problems. Though the shear difference technique can be particularly sensitive to cumulative errors resulting from numerical integration, the least squares technique is not affected by this and appears to yield better accuracy. The methods just cited use both experimental data and one or more mechanics conditions(e.g., the equations of equilibrium) to determine the stress field. However, the stress field can also be obtained from experimental data alone for planar elasticity problems, if there is enough of it to solve for the three stresses. For example, the Moire* technique or the combination of isochromatic, isoclinic, and isopachic data (for transparent models) can be used for such determinations. Further, with the marriage of advanced image processing equipment to computers, such analyses using this type of data can be conveniently conducted. It is even possible that such analyses could be more accurate than those using the combined experimental/numerical techniques cited above. The purposes of this report are two fold: i) to describe a single apparatus for obtaining isochromatic, isopachic, and isoclinic results for complete stress field determinations of two dimensional transparent models, and ii) to compare experimental and theoretical stress field values for an antisymmetrically loaded beam obtained using that apparatus.

Analysis of the single-vehicle cyclic inventory routing problem

NASA Astrophysics Data System (ADS)

Aghezzaf, El-Houssaine; Zhong, Yiqing; Raa, Birger; Mateo, Manel

2012-11-01

The single-vehicle cyclic inventory routing problem (SV-CIRP) consists of a repetitive distribution of a product from a single depot to a selected subset of customers. For each customer, selected for replenishments, the supplier collects a corresponding fixed reward. The objective is to determine the subset of customers to replenish, the quantity of the product to be delivered to each and to design the vehicle route so that the resulting profit (difference between the total reward and the total logistical cost) is maximised while preventing stockouts at each of the selected customers. This problem appears often as a sub-problem in many logistical problems. In this article, the SV-CIRP is formulated as a mixed-integer program with a nonlinear objective function. After a thorough analysis of the structure of the problem and its features, an exact algorithm for its solution is proposed. This exact algorithm requires only solutions of linear mixed-integer programs. Values of a savings-based heuristic for this problem are compared to the optimal values obtained for a set of some test problems. In general, the gap may get as large as 25%, which justifies the effort to continue exploring and developing exact and approximation algorithms for the SV-CIRP.

Factor structure of the General Health Questionnaire-28 (GHQ-28) from infertile women attending the Yazd Research and Clinical Center for Infertility.

PubMed

Shayan, Zahra; Pourmovahed, Zahra; Najafipour, Fatemeh; Abdoli, Ali Mohammad; Mohebpour, Fatemeh; Najafipour, Sedighe

2015-12-01

Nowadays, infertility problems have become a social concern, and are associated with multiple psychological and social problems. Also, it affects the interpersonal communication between the individual, familial, and social characteristics. Since women are exposed to stressors of physical, mental, social factors, and treatment of infertility, providing a psychometric screening tool is necessary for disorders of this group. The aim of this study was to determine the factor structure of the general health questionnaire-28 to discover mental disorders in infertile women. In this study, 220 infertile women undergoing treatment of infertility were selected from the Yazd Research and Clinical Center for Infertility with convenience sampling in 2011. After completing the general health questionnaire by the project manager, validity and, reliability of the questionnaire were calculated by confirmatory factor structure and Cronbach's alpha, respectively. Four factors, including anxiety and insomnia, social dysfunction, depression, and physical symptoms were extracted from the factor structure. 50.12% of the total variance was explained by four factors. The reliability coefficient of the questionnaire was obtained 0.90. Analysis of the factor structure and reliability of General Health Questionnaire-28 showed that it is suitable as a screening instrument for assessing general health of infertile women.

Interviews with children about their mental health problems: The congruence and validity of information that children report.

PubMed

Macleod, Emily; Woolford, June; Hobbs, Linda; Gross, Julien; Hayne, Harlene; Patterson, Tess

2017-04-01

To obtain a child's perspective during a mental health assessment, he or she is usually interviewed. Although researchers and clinicians generally agree that it is beneficial to hear a child's account of his or her presenting issues, there is debate about whether children provide reliable or valid clinical information during these interviews. Here, we examined whether children provide clinically and diagnostically relevant information in a clinical setting. In all, 31 children aged 5-12-years undergoing mental health assessments were asked open-ended questions about their presenting problems during a semi-structured interview. We coded the information that children reported to determine whether it was clinically relevant and could be used to diagnose their problems and to formulate and plan treatment. We also coded children's information to determine whether it was congruent with the children's presenting problems and their eventual clinical diagnoses. Most of the information that children reported was clinically relevant and included information about behaviour, affect, temporal details, thoughts, people, the environment, and the child's physical experiences. The information that children reported was also clinically valid; it was congruent with the problems that were discussed (84%) and also with the eventual diagnosis that the child received after a complete assessment (74%). We conclude that children can contribute relevant, clinically useful, valid information during clinical psychological assessments.

Solution structure of the c-terminal dimerization domain of SARS coronavirus nucleocapsid protein solved by the SAIL-NMR method.

PubMed

Takeda, Mitsuhiro; Chang, Chung-ke; Ikeya, Teppei; Güntert, Peter; Chang, Yuan-hsiang; Hsu, Yen-lan; Huang, Tai-huang; Kainosho, Masatsune

2008-07-18

The C-terminal domain (CTD) of the severe acute respiratory syndrome coronavirus (SARS-CoV) nucleocapsid protein (NP) contains a potential RNA-binding region in its N-terminal portion and also serves as a dimerization domain by forming a homodimer with a molecular mass of 28 kDa. So far, the structure determination of the SARS-CoV NP CTD in solution has been impeded by the poor quality of NMR spectra, especially for aromatic resonances. We have recently developed the stereo-array isotope labeling (SAIL) method to overcome the size problem of NMR structure determination by utilizing a protein exclusively composed of stereo- and regio-specifically isotope-labeled amino acids. Here, we employed the SAIL method to determine the high-quality solution structure of the SARS-CoV NP CTD by NMR. The SAIL protein yielded less crowded and better resolved spectra than uniform (13)C and (15)N labeling, and enabled the homodimeric solution structure of this protein to be determined. The NMR structure is almost identical with the previously solved crystal structure, except for a disordered putative RNA-binding domain at the N-terminus. Studies of the chemical shift perturbations caused by the binding of single-stranded DNA and mutational analyses have identified the disordered region at the N-termini as the prime site for nucleic acid binding. In addition, residues in the beta-sheet region also showed significant perturbations. Mapping of the locations of these residues onto the helical model observed in the crystal revealed that these two regions are parts of the interior lining of the positively charged helical groove, supporting the hypothesis that the helical oligomer may form in solution.

Pre-Service Teachers' Free and Structured Mathematical Problem Posing

ERIC Educational Resources Information Center

Silber, Steven; Cai, Jinfa

2017-01-01

This exploratory study examined how pre-service teachers (PSTs) pose mathematical problems for free and structured mathematical problem-posing conditions. It was hypothesized that PSTs would pose more complex mathematical problems under structured posing conditions, with increasing levels of complexity, than PSTs would pose under free posing…

Connecting Core Percolation and Controllability of Complex Networks

PubMed Central

Jia, Tao; Pósfai, Márton

2014-01-01

Core percolation is a fundamental structural transition in complex networks related to a wide range of important problems. Recent advances have provided us an analytical framework of core percolation in uncorrelated random networks with arbitrary degree distributions. Here we apply the tools in analysis of network controllability. We confirm analytically that the emergence of the bifurcation in control coincides with the formation of the core and the structure of the core determines the control mode of the network. We also derive the analytical expression related to the controllability robustness by extending the deduction in core percolation. These findings help us better understand the interesting interplay between the structural and dynamical properties of complex networks. PMID:24946797

Interdisciplinary research and development on the effects of the nature and properties of ceramic materials in the design of advanced structural components

NASA Technical Reports Server (NTRS)

1978-01-01

An educational development and supportive research program on ceramic materials established to advance design methodology, improve materials, and develop engineers knowledgable in design with and use of high performance ceramic materials is described. Emphasis is on the structures and related materials problems in a ceramic turbine engine, but applications in coal gasification, solar conversion, and magnetohydrodynamic technologies are considered. Progress of various research projects in the areas of new materials, processing, characterization, and nondestructive testing is reported. Fracture toughness determination, extended X-ray absorption fine structure measurements, and grain boundary effects in beta-alumina are among the topics covered.

Research on connection structure of aluminumbody bus using multi-objective topology optimization

NASA Astrophysics Data System (ADS)

Peng, Q.; Ni, X.; Han, F.; Rhaman, K.; Ulianov, C.; Fang, X.

2018-01-01

For connecting Aluminum Alloy bus body aluminum components often occur the problem of failure, a new aluminum alloy connection structure is designed based on multi-objective topology optimization method. Determining the shape of the outer contour of the connection structure with topography optimization, establishing a topology optimization model of connections based on SIMP density interpolation method, going on multi-objective topology optimization, and improving the design of the connecting piece according to the optimization results. The results show that the quality of the aluminum alloy connector after topology optimization is reduced by 18%, and the first six natural frequencies are improved and the strength performance and stiffness performance are obviously improved.

Advances and trends in structures and dynamics; Proceedings of the Symposium, Washington, DC, October 22-25, 1984

NASA Technical Reports Server (NTRS)

Noor, A. K. (Editor); Hayduk, R. J. (Editor)

1985-01-01

Among the topics discussed are developments in structural engineering hardware and software, computation for fracture mechanics, trends in numerical analysis and parallel algorithms, mechanics of materials, advances in finite element methods, composite materials and structures, determinations of random motion and dynamic response, optimization theory, automotive tire modeling methods and contact problems, the damping and control of aircraft structures, and advanced structural applications. Specific topics covered include structural design expert systems, the evaluation of finite element system architectures, systolic arrays for finite element analyses, nonlinear finite element computations, hierarchical boundary elements, adaptive substructuring techniques in elastoplastic finite element analyses, automatic tracking of crack propagation, a theory of rate-dependent plasticity, the torsional stability of nonlinear eccentric structures, a computation method for fluid-structure interaction, the seismic analysis of three-dimensional soil-structure interaction, a stress analysis for a composite sandwich panel, toughness criterion identification for unidirectional composite laminates, the modeling of submerged cable dynamics, and damping synthesis for flexible spacecraft structures.

To envision a new particle or change an existing law? Hypothesis formation and anomaly resolution for the curious case of the β decay spectrum

NASA Astrophysics Data System (ADS)

Gauderis, Tjerk

2014-02-01

This paper addresses the question of how scientists determine which type of hypothesis is most suitable for tackling a particular problem by examining the historical case of the anomalous β spectrum in early nuclear physics (1927-1934), a puzzle that occasioned the most diverse hypotheses amongst physicists at the time. It is shown that such determinations are most often implicitly informed by scientists' individual perspectives on the structural relations between the various elements of the theory and the problem at hand. In addition to this main result, it is suggested that Wolfgang Pauli's neutrino idea may well have been an adaptation of Ernst Rutherford's original and older neutron idea, which would provide evidence that the adaptation of older ideas is a more common practice than is often thought.

Perform - A performance optimizing computer program for dynamic systems subject to transient loadings

NASA Technical Reports Server (NTRS)

Pilkey, W. D.; Wang, B. P.; Yoo, Y.; Clark, B.

1973-01-01

A description and applications of a computer capability for determining the ultimate optimal behavior of a dynamically loaded structural-mechanical system are presented. This capability provides characteristics of the theoretically best, or limiting, design concept according to response criteria dictated by design requirements. Equations of motion of the system in first or second order form include incompletely specified elements whose characteristics are determined in the optimization of one or more performance indices subject to the response criteria in the form of constraints. The system is subject to deterministic transient inputs, and the computer capability is designed to operate with a large linear programming on-the-shelf software package which performs the desired optimization. The report contains user-oriented program documentation in engineering, problem-oriented form. Applications cover a wide variety of dynamics problems including those associated with such diverse configurations as a missile-silo system, impacting freight cars, and an aircraft ride control system.

Sexual victimization, negative cognitions, and adjustment in college women.

PubMed

Thompson, Martie P; Kingree, J B

2010-01-01

To determine if negative cognitions accounted for the associations of sexual victimization with depression and alcohol-related problems among first-year college women. Data were collected from 719 first-year college females. Structural equation modeling was used to test if negative cognitive schemas mediated the links between sexual victimization and 2 outcomes. Sexual victimization was related to higher levels of depression and alcohol-related problems, and negative cognitions partially accounted for these associations. Whether or not the incident happened in a dating context did not impact on cognitions. Findings suggest that preventing negative cognitions might help offset adverse consequences associated with sexual victimization.

On estimation of secret message length in LSB steganography in spatial domain

NASA Astrophysics Data System (ADS)

Fridrich, Jessica; Goljan, Miroslav

2004-06-01

In this paper, we present a new method for estimating the secret message length of bit-streams embedded using the Least Significant Bit embedding (LSB) at random pixel positions. We introduce the concept of a weighted stego image and then formulate the problem of determining the unknown message length as a simple optimization problem. The methodology is further refined to obtain more stable and accurate results for a wide spectrum of natural images. One of the advantages of the new method is its modular structure and a clean mathematical derivation that enables elegant estimator accuracy analysis using statistical image models.

Kullback-Leibler information function and the sequential selection of experiments to discriminate among several linear models. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sidik, S. M.

1972-01-01

A sequential adaptive experimental design procedure for a related problem is studied. It is assumed that a finite set of potential linear models relating certain controlled variables to an observed variable is postulated, and that exactly one of these models is correct. The problem is to sequentially design most informative experiments so that the correct model equation can be determined with as little experimentation as possible. Discussion includes: structure of the linear models; prerequisite distribution theory; entropy functions and the Kullback-Leibler information function; the sequential decision procedure; and computer simulation results. An example of application is given.

Metrics on the relative spacecraft motion invariant manifold.

PubMed

Gurfil, P; Kholshevnikov, Konstantin V

2005-12-01

This paper establishes a methodology for obtaining the general solution to the spacecraft relative motion problem by utilizing Cartesian configuration space in conjunction with classical orbital elements. The geometry of the relative motion configuration space is analyzed, and the relative motion invariant manifold is determined. Most importantly, the geometric structure of the relative motion problem is used to derive useful metrics for quantification of the minimum, maximum, and mean distance between spacecraft for commensurable and non-commensurable mean motions. A number of analytic solutions, as well as useful examples, are provided, illustrating the calculated bounds. A few particular cases are given that yield simple solutions.

Embellishing Problem-Solving Examples with Deep Structure Information Facilitates Transfer

ERIC Educational Resources Information Center

Lee, Hee Seung; Betts, Shawn; Anderson, John R.

2017-01-01

Appreciation of problem structure is critical to successful learning. Two experiments investigated effective ways of communicating problem structure in a computer-based learning environment and tested whether verbal instruction is necessary to specify solution steps, when deep structure is already embellished by instructional examples.…

Evaluation of Colorado Learning Attitudes about Science Survey

NASA Astrophysics Data System (ADS)

Douglas, K. A.; Yale, M. S.; Bennett, D. E.; Haugan, M. P.; Bryan, L. A.

2014-12-01

The Colorado Learning Attitudes about Science Survey (CLASS) is a widely used instrument designed to measure student attitudes toward physics and learning physics. Previous research revealed a fairly complex factor structure. In this study, exploratory and confirmatory factor analyses were conducted on data from an undergraduate introductory physics course (n =3844 ) to determine whether a more parsimonious factor structure exists. Exploratory factor analysis results indicate that many of the items from the original CLASS have poor psychometric properties and could not be used in a revised factor structure. The cross validation showed acceptable fit statistics for a three factor model found in the exploratory factor analysis. This research suggests that a more optimum measurement of students' attitudes about physics and learning physics is obtained with a 15-item instrument, which describes the factors of personal application, personal effort, and problem solving. The proposed revised version of the CLASS offers researchers the opportunity to test a shortened version of the instrument that may be able to provide information about students' attitudes in the areas of personal application of physics, personal effort in a physics course, and approaches to problem solving.

Matching experimental and three dimensional numerical models for structural vibration problems with uncertainties

NASA Astrophysics Data System (ADS)

Langer, P.; Sepahvand, K.; Guist, C.; Bär, J.; Peplow, A.; Marburg, S.

2018-03-01

The simulation model which examines the dynamic behavior of real structures needs to address the impact of uncertainty in both geometry and material parameters. This article investigates three-dimensional finite element models for structural dynamics problems with respect to both model and parameter uncertainties. The parameter uncertainties are determined via laboratory measurements on several beam-like samples. The parameters are then considered as random variables to the finite element model for exploring the uncertainty effects on the quality of the model outputs, i.e. natural frequencies. The accuracy of the output predictions from the model is compared with the experimental results. To this end, the non-contact experimental modal analysis is conducted to identify the natural frequency of the samples. The results show a good agreement compared with experimental data. Furthermore, it is demonstrated that geometrical uncertainties have more influence on the natural frequencies compared to material parameters and material uncertainties are about two times higher than geometrical uncertainties. This gives valuable insights for improving the finite element model due to various parameter ranges required in a modeling process involving uncertainty.

Unscented predictive variable structure filter for satellite attitude estimation with model errors when using low precision sensors

NASA Astrophysics Data System (ADS)

Cao, Lu; Li, Hengnian

2016-10-01

For the satellite attitude estimation problem, the serious model errors always exist and hider the estimation performance of the Attitude Determination and Control System (ACDS), especially for a small satellite with low precision sensors. To deal with this problem, a new algorithm for the attitude estimation, referred to as the unscented predictive variable structure filter (UPVSF) is presented. This strategy is proposed based on the variable structure control concept and unscented transform (UT) sampling method. It can be implemented in real time with an ability to estimate the model errors on-line, in order to improve the state estimation precision. In addition, the model errors in this filter are not restricted only to the Gaussian noises; therefore, it has the advantages to deal with the various kinds of model errors or noises. It is anticipated that the UT sampling strategy can further enhance the robustness and accuracy of the novel UPVSF. Numerical simulations show that the proposed UPVSF is more effective and robustness in dealing with the model errors and low precision sensors compared with the traditional unscented Kalman filter (UKF).

Finite element analysis of CFRP reinforced silo structure design method

NASA Astrophysics Data System (ADS)

Yuan, Long; Xu, Xinsheng

2017-11-01

Because of poor construction, there is a serious problem of concrete quality in the silo project, which seriously affects the safe use of the structure. Concrete quality problems are mainly seen in three aspects: concrete strength cannot meet the design requirements, concrete cracking phenomenon is serious, and the unreasonable concrete vibration leads to a lot of honeycombs and surface voids. Silos are usually reinforced by carbon fiber cloth in order to ensure the safe use of silos. By the example of an alumina silo in a fly ash plant in Binzhou, Shandong Province, the alumina silo project was tested and examined on site. According to filed test results, the actual concrete strength was determined, and the damage causes of the silo was analysed. Then, a finite element analysis model of this silo was established, the CFRP cloth reinforcement method was adopted to strengthen the silo, and other technology like additional reinforcement, rebar planting, carbon fiber bonding technology was also expounded. The research of this paper is of great significance to the design and construction of silo structure.

FluoroSim: A Visual Problem-Solving Environment for Fluorescence Microscopy

PubMed Central

Quammen, Cory W.; Richardson, Alvin C.; Haase, Julian; Harrison, Benjamin D.; Taylor, Russell M.; Bloom, Kerry S.

2010-01-01

Fluorescence microscopy provides a powerful method for localization of structures in biological specimens. However, aspects of the image formation process such as noise and blur from the microscope's point-spread function combine to produce an unintuitive image transformation on the true structure of the fluorescing molecules in the specimen, hindering qualitative and quantitative analysis of even simple structures in unprocessed images. We introduce FluoroSim, an interactive fluorescence microscope simulator that can be used to train scientists who use fluorescence microscopy to understand the artifacts that arise from the image formation process, to determine the appropriateness of fluorescence microscopy as an imaging modality in an experiment, and to test and refine hypotheses of model specimens by comparing the output of the simulator to experimental data. FluoroSim renders synthetic fluorescence images from arbitrary geometric models represented as triangle meshes. We describe three rendering algorithms on graphics processing units for computing the convolution of the specimen model with a microscope's point-spread function and report on their performance. We also discuss several cases where the microscope simulator has been used to solve real problems in biology. PMID:20431698

Electromagnetic field analysis and modeling of a relative position detection sensor for high speed maglev trains.

PubMed

Xue, Song; He, Ning; Long, Zhiqiang

2012-01-01

The long stator track for high speed maglev trains has a tooth-slot structure. The sensor obtains precise relative position information for the traction system by detecting the long stator tooth-slot structure based on nondestructive detection technology. The magnetic field modeling of the sensor is a typical three-dimensional (3-D) electromagnetic problem with complex boundary conditions, and is studied semi-analytically in this paper. A second-order vector potential (SOVP) is introduced to simplify the vector field problem to a scalar field one, the solution of which can be expressed in terms of series expansions according to Multipole Theory (MT) and the New Equivalent Source (NES) method. The coefficients of the expansions are determined by the least squares method based on the boundary conditions. Then, the solution is compared to the simulation result through Finite Element Analysis (FEA). The comparison results show that the semi-analytical solution agrees approximately with the numerical solution. Finally, based on electromagnetic modeling, a difference coil structure is designed to improve the sensitivity and accuracy of the sensor.

Electromagnetic Field Analysis and Modeling of a Relative Position Detection Sensor for High Speed Maglev Trains

PubMed Central

Xue, Song; He, Ning; Long, Zhiqiang

2012-01-01

The long stator track for high speed maglev trains has a tooth-slot structure. The sensor obtains precise relative position information for the traction system by detecting the long stator tooth-slot structure based on nondestructive detection technology. The magnetic field modeling of the sensor is a typical three-dimensional (3-D) electromagnetic problem with complex boundary conditions, and is studied semi-analytically in this paper. A second-order vector potential (SOVP) is introduced to simplify the vector field problem to a scalar field one, the solution of which can be expressed in terms of series expansions according to Multipole Theory (MT) and the New Equivalent Source (NES) method. The coefficients of the expansions are determined by the least squares method based on the boundary conditions. Then, the solution is compared to the simulation result through Finite Element Analysis (FEA). The comparison results show that the semi-analytical solution agrees approximately with the numerical solution. Finally, based on electromagnetic modeling, a difference coil structure is designed to improve the sensitivity and accuracy of the sensor. PMID:22778652

The Aggregate National Supply of Job Openings and Firms' Procedures for Filling Positions. IAB Labour Market Research Topics.

ERIC Educational Resources Information Center

Magvas, Emil; Spitznagel, Eugen

Surveys by the Institut fur Arbeitsmarkt- und Berufsforschung (IAB) of German firms' job openings have been combined with job registry data from the Bundesanstalt fur Arbeit on an annual basis since 1989 in order to determine the scope and structure of the aggregate national supply of job openings. The surveys also indicated problems encountered…

Inhibition of Microbial Growth by Fatty Amine Catalysts from Polyurethane Foam Test Tube Plugs

PubMed Central

Bach, John A.; Wnuk, Richard J.; Martin, Delano G.

1975-01-01

When polyurethane foam test tube plugs are autoclaved, they release volatile fatty amines that inhibit the growth of some microorganisms. The chemical structures of these amines were determined by the use of a gas chromatographmass spectrometer. They are catalysts used to produce the foam. The problem of contaminating growth media with toxic substances released from polymeric materials is discussed. PMID:1096816

Early adversity, psychopathology, and latent class profiles of global physical health from preschool through early adolescence

PubMed Central

Whalen, Diana J.; Belden, Andy C.; Tillman, Rebecca; Barch, Deanna M.; Luby, Joan L.

2016-01-01

Objective The purpose of the present report was to describe the longitudinal trajectories of physical health beginning during preschool and continuing into early adolescence, explore whether these trajectories were predicted by psychosocial adversity, family income-to-needs ratio, and psychiatric disorders occurring during the preschool period, and determine whether psychiatric disorders mediated these relations. Methods Participants included 296 children participating in a longitudinal study of early-onset psychopathology spanning ten years. Semi-structured clinical interviews were conducted with caregivers to determine children’s psychiatric diagnoses between ages 3–6. Caregivers also completed annual assessments of their child’s physical health problems (ages 3–13), as well as reported on the family’s income and indicators of psychosocial adversity. Results Growth mixture modeling revealed two trajectories of physical health problems: a stable, low group (n = 199) and a high, increasing group (n = 57) indicating linear increases in physical health problems from ages 3–13. Preschool psychiatric diagnoses (Est= 0.05, p<.001), family income-to-needs ratio (Est= −0.01, p=.012), and psychosocial adversity (Est=0.02, p=.015) predicted membership in the high, increasing trajectory of physical health problems. Early-onset psychopathology mediated relations between psychosocial adversity and physical health problems (αβ= 0.31, p=.050) and between income-to-needs ratio and physical health problems (αβ= −0.29, p<.021). Conclusions These findings indicate the importance of early indicators of risk: low income-to-needs ratios, high psychosocial adversity, and psychiatric disorders occurring during the preschool period for contributing to increasing physical health problems from preschool through early adolescence. Early-onset psychiatric disorders also mediated relations between psychosocial adversity, income-to-needs ratio, and physical health problems. PMID:27749744

On understanding the relationship between structure in the potential surface and observables in classical dynamics: A functional sensitivity analysis approach

NASA Astrophysics Data System (ADS)

Judson, Richard S.; Rabitz, Herschel

1987-04-01

The relationship between structure in the potential surface and classical mechanical observables is examined by means of functional sensitivity analysis. Functional sensitivities provide maps of the potential surface, highlighting those regions that play the greatest role in determining the behavior of observables. A set of differential equations for the sensitivities of the trajectory components are derived. These are then solved using a Green's function method. It is found that the sensitivities become singular at the trajectory turning points with the singularities going as η-3/2, with η being the distance from the nearest turning point. The sensitivities are zero outside of the energetically and dynamically allowed region of phase space. A second set of equations is derived from which the sensitivities of observables can be directly calculated. An adjoint Green's function technique is employed, providing an efficient method for numerically calculating these quantities. Sensitivity maps are presented for a simple collinear atom-diatom inelastic scattering problem and for two Henon-Heiles type Hamiltonians modeling intramolecular processes. It is found that the positions of the trajectory caustics in the bound state problem determine regions of the highest potential surface sensitivities. In the scattering problem (which is impulsive, so that ``sticky'' collisions did not occur), the positions of the turning points of the individual trajectory components determine the regions of high sensitivity. In both cases, these lines of singularities are superimposed on a rich background structure. Most interesting is the appearance of classical interference effects. The interference features in the sensitivity maps occur most noticeably where two or more lines of turning points cross. The important practical motivation for calculating the sensitivities derives from the fact that the potential is a function, implying that any direct attempt to understand how local potential regions affect the behavior of the observables by repeatedly and systematically altering the potential will be prohibitively expensive. The functional sensitivity method enables one to perform this analysis at a fraction of the computational labor required for the direct method.

The Philosophy which underlies the structural tests of a supersonic transport aircraft with particular attention to the thermal cycle

NASA Technical Reports Server (NTRS)

Ripley, E. L.

1972-01-01

The information presented is based on data obtained from the Concorde. Much of this data also applies to other supersonic transport aircraft. The design and development of the Concorde is a joint effort of the British and French, and the structural test program is shared, as are all the other activities. Vast numbers of small specimens have been tested to determine the behavior of the materials used in the aircraft. Major components of the aircraft structure, totalling almost a complete aircraft, have been made and are being tested to help the constructors in each country in the design and development of the structure. Tests on two complete airframes will give information for the certification of the aircraft. A static test was conducted in France and a fatigue test in the United Kingdom. Fail-safe tests are being made to demonstrate the crack-propagation characteristics of the structure and its residual strength. Aspects of the structural test program are described in some detail, dealing particularly with the problems associated with the thermal cycle. The biggest of these problems is the setting up of the fatigue test on the complete airframe; therefore, this is covered more extensively with a discussion about how the test time can be shortened and with a description of the practical aspects of the test.

Application of the Spectral Element Method to Acoustic Radiation

NASA Technical Reports Server (NTRS)

Doyle, James F.; Rizzi, Stephen A. (Technical Monitor)

2000-01-01

This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

Grounding of space structures

NASA Astrophysics Data System (ADS)

Bosela, P. A.; Fertis, D. G.; Shaker, F. J.

1992-09-01

Space structures, such as the Space Station solar arrays, must be extremely light-weight, flexible structures. Accurate prediction of the natural frequencies and mode shapes is essential for determining the structural adequacy of components, and designing a controls system. The tension pre-load in the 'blanket' of photovoltaic solar collectors, and the free/free boundary conditions of a structure in space, causes serious reservations on the use of standard finite element techniques of solution. In particular, a phenomenon known as 'grounding', or false stiffening, of the stiffness matrix occurs during rigid body rotation. This paper examines the grounding phenomenon in detail. Numerous stiffness matrices developed by others are examined for rigid body rotation capability, and found lacking. A force imbalance inherent in the formulations examined is the likely cause of the grounding problem, suggesting the need for a directed force formulation.

MARC calculations for the second WIPP structural benchmark problem

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

Morgan, H.S.

1981-05-01

This report describes calculations made with the MARC structural finite element code for the second WIPP structural benchmark problem. Specific aspects of problem implementation such as element choice, slip line modeling, creep law implementation, and thermal-mechanical coupling are discussed in detail. Also included are the computational results specified in the benchmark problem formulation.

A Coding Scheme for Analysing Problem-Solving Processes of First-Year Engineering Students

ERIC Educational Resources Information Center

Grigg, Sarah J.; Benson, Lisa C.

2014-01-01

This study describes the development and structure of a coding scheme for analysing solutions to well-structured problems in terms of cognitive processes and problem-solving deficiencies for first-year engineering students. A task analysis approach was used to assess students' problem solutions using the hierarchical structure from a…

Role of the H-containing groups on the structural dynamics of Ti3C2Tx MXene

NASA Astrophysics Data System (ADS)

Wen, Jing; Zhang, Xitian; Gao, Hong

2018-05-01

It is a confused problem in the literature that the c-axis value of Ti3C2 MXene changes with the synthesis procedure, but the part of the surface structures that plays the role of pillar to support the Ti3C2 layers and their variation rules remain controversial. In this work, we develop the structure models and formation mechanisms of Ti3C2Tx based on the density functional theory calculations and experimental results. While the c-axis values of the samples vary from about 1.9 to 2.9 nm, the corresponding pillars are determined by different distributions and proportions of the H-containing groups. The proportions of the H-containing groups that determine the c-axis value are formulated as the functions of the interlayer space, which can be used to quantitatively clarify the changes of the surface functional groups after the samples experiencing different treatments. The results can facilitate the in situ detections of the surface structures of MXenes during different treatments or electrochemical processes.

Topology and layout optimization of discrete and continuum structures

NASA Technical Reports Server (NTRS)

Bendsoe, Martin P.; Kikuchi, Noboru

1993-01-01

The basic features of the ground structure method for truss structure an continuum problems are described. Problems with a large number of potential structural elements are considered using the compliance of the structure as the objective function. The design problem is the minimization of compliance for a given structural weight, and the design variables for truss problems are the cross-sectional areas of the individual truss members, while for continuum problems they are the variable densities of material in each of the elements of the FEM discretization. It is shown how homogenization theory can be applied to provide a relation between material density and the effective material properties of a periodic medium with a known microstructure of material and voids.

Ab initio NMR Confirmed Evolutionary Structure Prediction for Organic Molecular Crystals

NASA Astrophysics Data System (ADS)

Pham, Cong-Huy; Kucukbenli, Emine; de Gironcoli, Stefano

2015-03-01

Ab initio crystal structure prediction of even small organic compounds is extremely challenging due to polymorphism, molecular flexibility and difficulties in addressing the dispersion interaction from first principles. We recently implemented vdW-aware density functionals and demonstrated their success in energy ordering of aminoacid crystals. In this work we combine this development with the evolutionary structure prediction method to study cholesterol polymorphs. Cholesterol crystals have paramount importance in various diseases, from cancer to atherosclerosis. The structure of some polymorphs (e.g. ChM, ChAl, ChAh) have already been resolved while some others, which display distinct NMR spectra and are involved in disease formation, are yet to be determined. Here we thoroughly assess the applicability of evolutionary structure prediction to address such real world problems. We validate the newly predicted structures with ab initio NMR chemical shift data using secondary referencing for an improved comparison with experiments.

Understanding the Latitude Structure of Nitric Oxide in the Mesosphere and Lower Thermosphere

NASA Technical Reports Server (NTRS)

Fuller-Rowell, T.J.

1997-01-01

The goal of the proposed work was to understand the latitude structure of nitric oxide in the mesosphere and lower thermosphere. The problem was portrayed by a clear difference between predictions of the nitric oxide distribution from chemical/dynamical models and data from observations made by the Solar Mesosphere Explorer (SMEE) in the early to mid eighties. The data exhibits a flat latitude structure of NO, the models tend to produce at equatorial maximum. The first task was to use the UARS-HALOE data to confirm the SME observations. The purpose of this first phase was to verify the UARS-NO structure is consistent with the SME data. The next task was to determine the cause of the discrepancy between modeled and observed nitric oxide latitude structure. The result from the final phase indicated that the latitude structure in the Photo-Electron (PE) production rate was the most important.

A localized model of spatial cognition in chemistry

NASA Astrophysics Data System (ADS)

Stieff, Mike

This dissertation challenges the assumption that spatial cognition, particularly visualization, is the key component to problem solving in chemistry. In contrast to this assumption, I posit a localized, or task-specific, model of spatial cognition in chemistry problem solving to locate the exact tasks in a traditional organic chemistry curriculum that require students to use visualization strategies to problem solve. Instead of assuming that visualization is required for most chemistry tasks simply because chemistry concerns invisible three-dimensional entities, I instead use the framework of the localized model to identify how students do and do not make use of visualization strategies on a wide variety of assessment tasks regardless of each task's explicit demand for spatial cognition. I establish the dimensions of the localized model with five studies. First, I designed two novel psychometrics to reveal how students selectively use visualization strategies to interpret and analyze molecular structures. The third study comprised a document analysis of the organic chemistry assessments that empirically determined only 12% of these tasks explicitly require visualization. The fourth study concerned a series of correlation analyses between measures of visuo-spatial ability and chemistry performance to clarify the impact of individual differences. Finally, I performed a series of micro-genetic analyses of student problem solving that confirmed the earlier findings and revealed students prefer to visualize molecules from alternative perspectives without using mental rotation. The results of each study reveal that occurrences of sophisticated spatial cognition are relatively infrequent in chemistry, despite instructors' ostensible emphasis on the visualization of three-dimensional structures. To the contrary, students eschew visualization strategies and instead rely on the use of molecular diagrams to scaffold spatial cognition. Visualization does play a key role, however, in problem solving on a select group of chemistry tasks that require students to translate molecular representations or fundamentally alter the morphology of a molecule. Ultimately, this dissertation calls into question the assumption that individual differences in visuo-spatial ability play a critical role in determining who succeeds in chemistry. The results of this work establish a foundation for defining the precise manner in which visualization tools can best support problem solving.

A cognitive framework for analyzing and describing introductory students' use and understanding of mathematics in physics

NASA Astrophysics Data System (ADS)

Tuminaro, Jonathan

Many introductory, algebra-based physics students perform poorly on mathematical problem solving tasks in physics. There are at least two possible, distinct reasons for this poor performance: (1) students simply lack the mathematical skills needed to solve problems in physics, or (2) students do not know how to apply the mathematical skills they have to particular problem situations in physics. While many students do lack the requisite mathematical skills, a major finding from this work is that the majority of students possess the requisite mathematical skills, yet fail to use or interpret them in the context of physics. In this thesis I propose a theoretical framework to analyze and describe students' mathematical thinking in physics. In particular, I attempt to answer two questions. What are the cognitive tools involved in formal mathematical thinking in physics? And, why do students make the kinds of mistakes they do when using mathematics in physics? According to the proposed theoretical framework there are three major theoretical constructs: mathematical resources, which are the knowledge elements that are activated in mathematical thinking and problem solving; epistemic games, which are patterns of activities that use particular kinds of knowledge to create new knowledge or solve a problem; and frames, which are structures of expectations that determine how individuals interpret situations or events. The empirical basis for this study comes from videotaped sessions of college students solving homework problems. The students are enrolled in an algebra-based introductory physics course. The videotapes were transcribed and analyzed using the aforementioned theoretical framework. Two important results from this work are: (1) the construction of a theoretical framework that offers researchers a vocabulary (ontological classification of cognitive structures) and grammar (relationship between the cognitive structures) for understanding the nature and origin of mathematical use in the context physics, and (2) a detailed understanding, in terms of the proposed theoretical framework, of the errors that students make when using mathematics in the context of physics.

Femtosecond X-ray protein nanocrystallography.

PubMed

Chapman, Henry N; Fromme, Petra; Barty, Anton; White, Thomas A; Kirian, Richard A; Aquila, Andrew; Hunter, Mark S; Schulz, Joachim; DePonte, Daniel P; Weierstall, Uwe; Doak, R Bruce; Maia, Filipe R N C; Martin, Andrew V; Schlichting, Ilme; Lomb, Lukas; Coppola, Nicola; Shoeman, Robert L; Epp, Sascha W; Hartmann, Robert; Rolles, Daniel; Rudenko, Artem; Foucar, Lutz; Kimmel, Nils; Weidenspointner, Georg; Holl, Peter; Liang, Mengning; Barthelmess, Miriam; Caleman, Carl; Boutet, Sébastien; Bogan, Michael J; Krzywinski, Jacek; Bostedt, Christoph; Bajt, Saša; Gumprecht, Lars; Rudek, Benedikt; Erk, Benjamin; Schmidt, Carlo; Hömke, André; Reich, Christian; Pietschner, Daniel; Strüder, Lothar; Hauser, Günter; Gorke, Hubert; Ullrich, Joachim; Herrmann, Sven; Schaller, Gerhard; Schopper, Florian; Soltau, Heike; Kühnel, Kai-Uwe; Messerschmidt, Marc; Bozek, John D; Hau-Riege, Stefan P; Frank, Matthias; Hampton, Christina Y; Sierra, Raymond G; Starodub, Dmitri; Williams, Garth J; Hajdu, Janos; Timneanu, Nicusor; Seibert, M Marvin; Andreasson, Jakob; Rocker, Andrea; Jönsson, Olof; Svenda, Martin; Stern, Stephan; Nass, Karol; Andritschke, Robert; Schröter, Claus-Dieter; Krasniqi, Faton; Bott, Mario; Schmidt, Kevin E; Wang, Xiaoyu; Grotjohann, Ingo; Holton, James M; Barends, Thomas R M; Neutze, Richard; Marchesini, Stefano; Fromme, Raimund; Schorb, Sebastian; Rupp, Daniela; Adolph, Marcus; Gorkhover, Tais; Andersson, Inger; Hirsemann, Helmut; Potdevin, Guillaume; Graafsma, Heinz; Nilsson, Björn; Spence, John C H

2011-02-03

X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size. In conventional measurements, the necessary increase in X-ray dose to record data from crystals that are too small leads to extensive damage before a diffraction signal can be recorded. It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their importance in all living cells. Here we present a method for structure determination where single-crystal X-ray diffraction 'snapshots' are collected from a fully hydrated stream of nanocrystals using femtosecond pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source. We prove this concept with nanocrystals of photosystem I, one of the largest membrane protein complexes. More than 3,000,000 diffraction patterns were collected in this study, and a three-dimensional data set was assembled from individual photosystem I nanocrystals (∼200 nm to 2 μm in size). We mitigate the problem of radiation damage in crystallography by using pulses briefer than the timescale of most damage processes. This offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage.

Breathing pulses in singularly perturbed reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Veerman, Frits

2015-07-01

The weakly nonlinear stability of pulses in general singularly perturbed reaction-diffusion systems near a Hopf bifurcation is determined using a centre manifold expansion. A general framework to obtain leading order expressions for the (Hopf) centre manifold expansion for scale separated, localised structures is presented. Using the scale separated structure of the underlying pulse, directly calculable expressions for the Hopf normal form coefficients are obtained in terms of solutions to classical Sturm-Liouville problems. The developed theory is used to establish the existence of breathing pulses in a slowly nonlinear Gierer-Meinhardt system, and is confirmed by direct numerical simulation.

Calculation of Prestressed Pressure Vessel Taking into Account the Concrete Temperature Inhomogeneity

NASA Astrophysics Data System (ADS)

Andreev, Vladimir

2018-03-01

The paper deals with the problem of determining the stress state of the pressure vessel (PV) with considering the concrete temperature inhomogeneity. Such structures are widely used in heat power engineering, for example, in nuclear power engineering. The structures of such buildings are quite complex and a comprehensive analysis of the stress state in them can be carried out either by numerical or experimental methods. However, a number of fundamental questions can be solved on the basis of simplified models, in particular, studies of the effect on the stressed state of the inhomogeneity caused by the temperature field.

Recent advances in the structure elucidation of small organic molecules by the LSD software.

PubMed

Plainchont, Bertrand; de Paulo Emerenciano, Vicente; Nuzillard, Jean-Marc

2013-08-01

The LSD software proposes the structures of small organic molecules that fit with structural constraints from 1D and 2D NMR spectroscopy. Its initial design introduced limits that needed to be eliminated to extend its scope and help its users choose the most likely structure among those proposed. The LSD software code has been improved, so that it recognizes a wider set of atom types to build molecules. More flexibility has been given in the interpretation of 2D NMR data, including the automatic detection of very long-range correlations. A program named pyLSD was written to deal with problems in which atom types are ambiguously defined. It also provides a (13)C NMR chemical shift-based solution ranking algorithm. PyLSD was able to propose the correct structure of hexacyclinol, a natural product whose structure determination has been highly controversal. The solution was ranked first within a list of ten structures that were produced by pyLSD from the literature NMR data. The structure of an aporphin natural product was determined by pyLSD, taking advantage of the possibility of handling electrically charged atoms. The structure generation of the insect antifeedant azadirachtin by LSD was reinvestigated by pyLSD, considering that three (13)C resonances did not lead to univocal hybridization states. Copyright © 2013 John Wiley & Sons, Ltd.

My 65 years in protein chemistry.

PubMed

Scheraga, Harold A

2015-05-01

This is a tour of a physical chemist through 65 years of protein chemistry from the time when emphasis was placed on the determination of the size and shape of the protein molecule as a colloidal particle, with an early breakthrough by James Sumner, followed by Linus Pauling and Fred Sanger, that a protein was a real molecule, albeit a macromolecule. It deals with the recognition of the nature and importance of hydrogen bonds and hydrophobic interactions in determining the structure, properties, and biological function of proteins until the present acquisition of an understanding of the structure, thermodynamics, and folding pathways from a linear array of amino acids to a biological entity. Along the way, with a combination of experiment and theoretical interpretation, a mechanism was elucidated for the thrombin-induced conversion of fibrinogen to a fibrin blood clot and for the oxidative-folding pathways of ribonuclease A. Before the atomic structure of a protein molecule was determined by x-ray diffraction or nuclear magnetic resonance spectroscopy, experimental studies of the fundamental interactions underlying protein structure led to several distance constraints which motivated the theoretical approach to determine protein structure, and culminated in the Empirical Conformational Energy Program for Peptides (ECEPP), an all-atom force field, with which the structures of fibrous collagen-like proteins and the 46-residue globular staphylococcal protein A were determined. To undertake the study of larger globular proteins, a physics-based coarse-grained UNited-RESidue (UNRES) force field was developed, and applied to the protein-folding problem in terms of structure, thermodynamics, dynamics, and folding pathways. Initially, single-chain and, ultimately, multiple-chain proteins were examined, and the methodology was extended to protein-protein interactions and to nucleic acids and to protein-nucleic acid interactions. The ultimate results led to an understanding of a variety of biological processes underlying natural and disease phenomena.

My 65 years in protein chemistry

PubMed Central

Scheraga, Harold A.

2015-01-01

This is a tour of a physical chemist through 65 years of protein chemistry from the time when emphasis was placed on the determination of the size and shape of the protein molecule as a colloidal particle, with an early breakthrough by James Sumner, followed by Linus Pauling and Fred Sanger, that a protein was a real molecule, albeit a macromolecule. It deals with the recognition of the nature and importance of hydrogen bonds and hydrophobic interactions in determining the structure, properties, and biological function of proteins until the present acquisition of an understanding of the structure, thermodynamics, and folding pathways from a linear array of amino acids to a biological entity. Along the way, with a combination of experiment and theoretical interpretation, a mechanism was elucidated for the thrombin-induced conversion of fibrinogen to a fibrin blood clot and for the oxidative-folding pathways of ribonuclease A. Before the atomic structure of a protein molecule was determined by x-ray diffraction or nuclear magnetic resonance spectroscopy, experimental studies of the fundamental interactions underlying protein structure led to several distance constraints which motivated the theoretical approach to determine protein structure, and culminated in the Empirical Conformational Energy Program for Peptides (ECEPP), an all-atom force field, with which the structures of fibrous collagen-like proteins and the 46-residue globular staphylococcal protein A were determined. To undertake the study of larger globular proteins, a physics-based coarse-grained UNited-RESidue (UNRES) force field was developed, and applied to the protein-folding problem in terms of structure, thermodynamics, dynamics, and folding pathways. Initially, single-chain and, ultimately, multiple-chain proteins were examined, and the methodology was extended to protein–protein interactions and to nucleic acids and to protein–nucleic acid interactions. The ultimate results led to an understanding of a variety of biological processes underlying natural and disease phenomena. PMID:25850343

The measurement problem in quantum mechanics: A phenomenological investigation

NASA Astrophysics Data System (ADS)

Hunter, Joel Brooks

2008-10-01

This dissertation is a phenomenological investigation of the measurement problem in quantum mechanics. The primary subject matter for description and analysis is scientific instruments and their use in experiments which elicit the measurement problem. A methodological critique is mounted against the ontological commitments taken for granted in the canonical interpretations of quantum theory and the scientific activity of measurement as the necessary interface between theoretical interest and perceptual results. I argue that an aesthetic dimension of reality functions as aproto-scientific establishment of sense-making that constantly operates to set integratively all other cognitively neat determinations, including scientifically rendered objects that are intrinsically non-visualizable. The way in which data "key in" to the original and originative register of the sensible in observation is clarified by examining prostheses, measuring apparatuses and instruments that are sense-conveying and -integrative with the human sensorium. Experiments, technology and instrumentation are examined in order to understand how knowing and that which is known is bonded by praxis-aisthesis. Quantum measurement is a praxic-dynamie activity and homologically structured and structur ing functional engagement in terms of instantiation, quantifiability, and spatiotemporal differentiation. The distinctions between a beauty-aesthetic and praxis-aisthesis are delineated. It is argued that a beauty-aesthetic is a construal of the economic dimension of scientific objects and work, and is not the primary manner in which the aesthetic dimension is disclosed. The economic dimension of abstractions reduces to an austere aesthetic of calculative economy. Nature itself, however, is not stingy; it is intrinsically capacious, extravagant, full of surprise, nuance, ambiguity and allusiveness. The capaciousness of Nature and the way in which we are integratively set within Nature in a materiality-phenomenality correlation discloses Nature's constituent potential, a condition more primitive than causal interplay. Finally, the relation between a physical mechanism or process and its functional mathematical representation is clarified. No physical mechanism or process accounts for the empirical effects of measurement outcomes in some quantum mechanical experiments. Within the milieu of ordinary perceptual experience, complete with its horizonal structure of spatiality and temporality, something uncaused is encountered which resists full determination in terms of mathematical representation. Keywords: Quantum Mechanics, Measurement Problem, Phenomenology, Prosthesis, Aesthetic

Nanostructure Determination by Co-Refining Models to Multiple Datasets

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

Billinge, Simon J. L.

2011-05-31

The results of the work are contained in the publications resulting from the grant (which are listed below). Here I summarize the main findings from the last period of the award, 2006-2007: • Published a paper in Science with Igor Levin outlining the “Nanostructure Problem”, our inability to solve structure at the nanoscale. • Published a paper in Nature demonstrating the first ever ab-initio structure determination of a nanoparticle from atomic pair distribution function (PDF) data. • Published one book and 3 overview articles on PDF methods and the nanostructure problem. • Completed a project that sought to find amore » structural response to the presence of the so-called “intermediate phase” in network glasses which appears close to the rigidity percolation threshold in these systems. The main result was that we did not see convincing evidence for this, which drew into doubt the idea that Ge xSe 1-x glasses were a model system exhibiting rigidity percolation.« less

Structured Additive Quantile Regression for Assessing the Determinants of Childhood Anemia in Rwanda.

PubMed

Habyarimana, Faustin; Zewotir, Temesgen; Ramroop, Shaun

2017-06-17

Childhood anemia is among the most significant health problems faced by public health departments in developing countries. This study aims at assessing the determinants and possible spatial effects associated with childhood anemia in Rwanda. The 2014/2015 Rwanda Demographic and Health Survey (RDHS) data was used. The analysis was done using the structured spatial additive quantile regression model. The findings of this study revealed that the child's age; the duration of breastfeeding; gender of the child; the nutritional status of the child (whether underweight and/or wasting); whether the child had a fever; had a cough in the two weeks prior to the survey or not; whether the child received vitamin A supplementation in the six weeks before the survey or not; the household wealth index; literacy of the mother; mother's anemia status; mother's age at the birth are all significant factors associated with childhood anemia in Rwanda. Furthermore, significant structured spatial location effects on childhood anemia was found.

Optimization of a Lunar Pallet Lander Reinforcement Structure Using a Genetic Algorithm

NASA Technical Reports Server (NTRS)

Burt, Adam O.; Hull, Patrick V.

2014-01-01

This paper presents a design automation process using optimization via a genetic algorithm to design the conceptual structure of a Lunar Pallet Lander. The goal is to determine a design that will have the primary natural frequencies at or above a target value as well as minimize the total mass. Several iterations of the process are presented. First, a concept optimization is performed to determine what class of structure would produce suitable candidate designs. From this a stiffened sheet metal approach was selected leading to optimization of beam placement through generating a two-dimensional mesh and varying the physical location of reinforcing beams. Finally, the design space is reformulated as a binary problem using 1-dimensional beam elements to truncate the design space to allow faster convergence and additional mechanical failure criteria to be included in the optimization responses. Results are presented for each design space configuration. The final flight design was derived from these results.

Analysis of Protein Thermostability Enhancing Factors in Industrially Important Thermus Bacteria Species

PubMed Central

Kumwenda, Benjamin; Litthauer, Derek; Bishop, Özlem Tastan; Reva, Oleg

2013-01-01

Elucidation of evolutionary factors that enhance protein thermostability is a critical problem and was the focus of this work on Thermus species. Pairs of orthologous sequences of T. scotoductus SA-01 and T. thermophilus HB27, with the largest negative minimum folding energy (MFE) as predicted by the UNAFold algorithm, were statistically analyzed. Favored substitutions of amino acids residues and their properties were determined. Substitutions were analyzed in modeled protein structures to determine their locations and contribution to energy differences using PyMOL and FoldX programs respectively. Dominant trends in amino acid substitutions consistent with differences in thermostability between orthologous sequences were observed. T. thermophilus thermophilic proteins showed an increase in non-polar, tiny, and charged amino acids. An abundance of alanine substituted by serine and threonine, as well as arginine substituted by glutamine and lysine was observed in T. thermophilus HB27. Structural comparison showed that stabilizing mutations occurred on surfaces and loops in protein structures. PMID:24023508

Structured Uncertainty Bound Determination From Data for Control and Performance Validation

NASA Technical Reports Server (NTRS)

Lim, Kyong B.

2003-01-01

This report attempts to document the broad scope of issues that must be satisfactorily resolved before one can expect to methodically obtain, with a reasonable confidence, a near-optimal robust closed loop performance in physical applications. These include elements of signal processing, noise identification, system identification, model validation, and uncertainty modeling. Based on a recently developed methodology involving a parameterization of all model validating uncertainty sets for a given linear fractional transformation (LFT) structure and noise allowance, a new software, Uncertainty Bound Identification (UBID) toolbox, which conveniently executes model validation tests and determine uncertainty bounds from data, has been designed and is currently available. This toolbox also serves to benchmark the current state-of-the-art in uncertainty bound determination and in turn facilitate benchmarking of robust control technology. To help clarify the methodology and use of the new software, two tutorial examples are provided. The first involves the uncertainty characterization of a flexible structure dynamics, and the second example involves a closed loop performance validation of a ducted fan based on an uncertainty bound from data. These examples, along with other simulation and experimental results, also help describe the many factors and assumptions that determine the degree of success in applying robust control theory to practical problems.

Joint probabilistic determination of earthquake location and velocity structure: application to local and regional events

NASA Astrophysics Data System (ADS)

Beucler, E.; Haugmard, M.; Mocquet, A.

2016-12-01

The most widely used inversion schemes to locate earthquakes are based on iterative linearized least-squares algorithms and using an a priori knowledge of the propagation medium. When a small amount of observations is available for moderate events for instance, these methods may lead to large trade-offs between outputs and both the velocity model and the initial set of hypocentral parameters. We present a joint structure-source determination approach using Bayesian inferences. Monte-Carlo continuous samplings, using Markov chains, generate models within a broad range of parameters, distributed according to the unknown posterior distributions. The non-linear exploration of both the seismic structure (velocity and thickness) and the source parameters relies on a fast forward problem using 1-D travel time computations. The a posteriori covariances between parameters (hypocentre depth, origin time and seismic structure among others) are computed and explicitly documented. This method manages to decrease the influence of the surrounding seismic network geometry (sparse and/or azimuthally inhomogeneous) and a too constrained velocity structure by inferring realistic distributions on hypocentral parameters. Our algorithm is successfully used to accurately locate events of the Armorican Massif (western France), which is characterized by moderate and apparently diffuse local seismicity.

Simultaneous Speciation, Structure, and Equilibrium Constant Determination in the Ni2+-EDTA-CN- Ternary System via High-Resolution Laboratory X-ray Absorption Fine Structure Spectroscopy and Theoretical Calculations.

PubMed

Bajnóczi, Éva G; Németh, Zoltán; Vankó, György

2017-11-20

Even quite simple chemical systems can involve many components and chemical states, and sometimes it can be very difficult to differentiate them by their hardly separable physical-chemical properties. The Ni II -EDTA-CN - (EDTA = ethylenediaminetetraacetic acid) ternary system is a good example for this problem where, in spite of its fairly simple components and numerous investigations, several molecular combinations can exist, all of them not having been identified unambiguously yet. In order to achieve a detailed understanding of the reaction steps and chemical equilibria, methods are required in which the structural transitions in the different reaction steps can be followed via element-selective complex spectral feature sets. With the help of our recently developed von Hámos type high-resolution laboratory X-ray absorption spectrometer, both the structural variations and stability constants of the forming complexes were determined from the same measurement series, proving that X-ray absorption spectroscopy can be considered as a multifaced, table-top tool in coordination chemistry. Furthermore, with the help of theoretical calculations, independent structural evidence was also given for the formation of the [NiEDTA(CN)] 3- mixed complex.

THE RELATIONSHIP BETWEEN MEASURES OF IMPULSIVITY AND ALCOHOL MISUSE: AN INTEGRATIVE STRUCTURAL EQUATION MODELING APPROACH

PubMed Central

Courtney, Kelly E.; Arellano, Ryan; Barkley-Levenson, Emily; Gálvan, Adriana; Poldrack, Russell A.; MacKillop, James; Jentsch, J. David; Ray, Lara A.

2011-01-01

Background Higher levels of impulsivity have been implicated in the development of alcohol use disorders. Recent findings suggest that impulsivity is not a unitary construct, highlighted by the diverse ways in which the various measures of impulsivity relate to alcohol use outcomes. This study simultaneously tested the following dimensions of impulsivity as determinants of alcohol use and alcohol problems: risky decision-making, self-reported risk attitudes, response inhibition, and impulsive decision-making. Method Participants were a community sample of non-treatment seeking problem drinkers (N = 158). Structural Equation Modeling (SEM) analyses employed behavioral measures of impulsive decision-making (Delay Discounting Task, DDT), response inhibition (Stop Signal Task, SST), and risky decision-making (Balloon Analogue Risk Task, BART), and a self-report measure of risk attitudes (Domain-specific Risk-attitude Scale, DOSPERT), as predictors of alcohol use and of alcohol-related problems in this sample. Results The model fit well, accounting for 38% of the variance in alcohol problems, and identified two impulsivity dimensions that significantly loaded onto alcohol outcomes: (1) impulsive decision-making, indexed by the DDT; and (2) risky decision-making, measured by the BART. Conclusions The impulsive decision-making dimension of impulsivity, indexed by the DDT, was the strongest predictor of alcohol use and alcohol pathology in this sample of problem drinkers. Unexpectedly, a negative relationship was found between risky decision-making and alcohol problems. The results highlight the importance of considering the distinct facets of impulsivity in order to elucidate their individual and combined effects on alcohol use initiation, escalation, and dependence. PMID:22091877

Investigation of practical applications of H infinity control theory to the design of control systems for large space structures

NASA Technical Reports Server (NTRS)

Irwin, R. Dennis

1988-01-01

The applicability of H infinity control theory to the problems of large space structures (LSS) control was investigated. A complete evaluation to any technique as a candidate for large space structure control involves analytical evaluation, algorithmic evaluation, evaluation via simulation studies, and experimental evaluation. The results of analytical and algorithmic evaluations are documented. The analytical evaluation involves the determination of the appropriateness of the underlying assumptions inherent in the H infinity theory, the determination of the capability of the H infinity theory to achieve the design goals likely to be imposed on an LSS control design, and the identification of any LSS specific simplifications or complications of the theory. The resuls of the analytical evaluation are presented in the form of a tutorial on the subject of H infinity control theory with the LSS control designer in mind. The algorthmic evaluation of H infinity for LSS control pertains to the identification of general, high level algorithms for effecting the application of H infinity to LSS control problems, the identification of specific, numerically reliable algorithms necessary for a computer implementation of the general algorithms, the recommendation of a flexible software system for implementing the H infinity design steps, and ultimately the actual development of the necessary computer codes. Finally, the state of the art in H infinity applications is summarized with a brief outline of the most promising areas of current research.

Time use differences in activity participation among children 4-5 years old with and without the risk of developing conduct problems.

PubMed

Yu, Mong-Lin; Ziviani, Jenny; Baxter, Janeen; Haynes, Michele

2012-01-01

Conduct problems in childhood are associated with the way in which children engage in daily activities. Research, to date, on conduct problems in relation to time use has primarily focused on school aged children and their participation in discrete activities such as watching TV and sport. The purpose of the present study is to determine if children at risk of developing conduct problems have different activity patterns compared to those not at risk. Specifically aspects of time use which concern involvement in activities that provide physical exertion, structure, rest and social engagement were examined. Data for this investigation were drawn from the Longitudinal Study of Australian Children (Wave 1) and focused on 4936 children aged 4-5 years. Findings indicate that children at risk of developing conduct problems spend significantly more time in: physical activities such as "riding a bike", and "in the company of adults only" than children not at risk of developing conduct problems but less time "with peers under adult supervision". Gender differences were also found in the same activities with boys participating in more "bike riding" and activities "without peers under adult supervision" than girls. Young children generally participated in more physical activities and spend more time "with peers while supervised by adults" on weekend days, and more time in "structured activities" and "in the company of adults only" on weekdays. These findings are discussed in respect of the potentially risky nature of physical activity choice and the contribution of adult supervision in the context of peer group participation for children at risk of developing conduct problems. Copyright © 2011 Elsevier Ltd. All rights reserved.

SISSY: An efficient and automatic algorithm for the analysis of EEG sources based on structured sparsity.

PubMed

Becker, H; Albera, L; Comon, P; Nunes, J-C; Gribonval, R; Fleureau, J; Guillotel, P; Merlet, I

2017-08-15

Over the past decades, a multitude of different brain source imaging algorithms have been developed to identify the neural generators underlying the surface electroencephalography measurements. While most of these techniques focus on determining the source positions, only a small number of recently developed algorithms provides an indication of the spatial extent of the distributed sources. In a recent comparison of brain source imaging approaches, the VB-SCCD algorithm has been shown to be one of the most promising algorithms among these methods. However, this technique suffers from several problems: it leads to amplitude-biased source estimates, it has difficulties in separating close sources, and it has a high computational complexity due to its implementation using second order cone programming. To overcome these problems, we propose to include an additional regularization term that imposes sparsity in the original source domain and to solve the resulting optimization problem using the alternating direction method of multipliers. Furthermore, we show that the algorithm yields more robust solutions by taking into account the temporal structure of the data. We also propose a new method to automatically threshold the estimated source distribution, which permits to delineate the active brain regions. The new algorithm, called Source Imaging based on Structured Sparsity (SISSY), is analyzed by means of realistic computer simulations and is validated on the clinical data of four patients. Copyright © 2017 Elsevier Inc. All rights reserved.

Predicting helix orientation for coiled-coil dimers

PubMed Central

Apgar, James R.; Gutwin, Karl N.; Keating, Amy E.

2008-01-01

The alpha-helical coiled coil is a structurally simple protein oligomerization or interaction motif consisting of two or more alpha helices twisted into a supercoiled bundle. Coiled coils can differ in their stoichiometry, helix orientation and axial alignment. Because of the near degeneracy of many of these variants, coiled coils pose a challenge to fold recognition methods for structure prediction. Whereas distinctions between some protein folds can be discriminated on the basis of hydrophobic/polar patterning or secondary structure propensities, the sequence differences that encode important details of coiled-coil structure can be subtle. This is emblematic of a larger problem in the field of protein structure and interaction prediction: that of establishing specificity between closely similar structures. We tested the behavior of different computational models on the problem of recognizing the correct orientation - parallel vs. antiparallel - of pairs of alpha helices that can form a dimeric coiled coil. For each of 131 examples of known structure, we constructed a large number of both parallel and antiparallel structural models and used these to asses the ability of five energy functions to recognize the correct fold. We also developed and tested three sequenced-based approaches that make use of varying degrees of implicit structural information. The best structural methods performed similarly to the best sequence methods, correctly categorizing ∼81% of dimers. Steric compatibility with the fold was important for some coiled coils we investigated. For many examples, the correct orientation was determined by smaller energy differences between parallel and antiparallel structures distributed over many residues and energy components. Prediction methods that used structure but incorporated varying approximations and assumptions showed quite different behaviors when used to investigate energetic contributions to orientation preference. Sequence based methods were sensitive to the choice of residue-pair interactions scored. PMID:18506779

Integrated Approach to the Dynamics and Control of Maneuvering Flexible Aircraft

NASA Technical Reports Server (NTRS)

Waszak, Martin R. (Technical Monitor); Meirovitch, Leonard; Tuzcu, Ilhan

2003-01-01

This work uses a fundamental approach to the problem of simulating the flight of flexible aircraft. To this end, it integrates into a single formulation the pertinent disciplines, namely, analytical dynamics, structural dynamics, aerodynamics, and controls. It considers both the rigid body motions of the aircraft, three translations (forward motion, sideslip and plunge) and three rotations (roll, pitch and yaw), and the elastic deformations of every point of the aircraft, as well as the aerodynamic, propulsion, gravity and control forces. The equations of motion are expressed in a form ideally suited for computer processing. A perturbation approach yields a flight dynamics problem for the motions of a quasi-rigid aircraft and an 'extended aeroelasticity' problem for the elastic deformations and perturbations in the rigid body motions, with the solution of the first problem entering as an input into the second problem. The control forces for the flight dynamics problem are obtained by an 'inverse' process and the feedback controls for the extended aeroservoelasticity problem are determined by the LQG theory. A numerical example presents time simulations of rigid body perturbations and elastic deformations about 1) a steady level flight and 2) a level steady turn maneuver.

The potential application of the blackboard model of problem solving to multidisciplinary design

NASA Technical Reports Server (NTRS)

Rogers, James L.

1989-01-01

The potential application of the blackboard model of problem solving to multidisciplinary design is discussed. Multidisciplinary design problems are complex, poorly structured, and lack a predetermined decision path from the initial starting point to the final solution. The final solution is achieved using data from different engineering disciplines. Ideally, for the final solution to be the optimum solution, there must be a significant amount of communication among the different disciplines plus intradisciplinary and interdisciplinary optimization. In reality, this is not what happens in today's sequential approach to multidisciplinary design. Therefore it is highly unlikely that the final solution is the true optimum solution from an interdisciplinary optimization standpoint. A multilevel decomposition approach is suggested as a technique to overcome the problems associated with the sequential approach, but no tool currently exists with which to fully implement this technique. A system based on the blackboard model of problem solving appears to be an ideal tool for implementing this technique because it offers an incremental problem solving approach that requires no a priori determined reasoning path. Thus it has the potential of finding a more optimum solution for the multidisciplinary design problems found in today's aerospace industries.

Pre-Service Elementary Teachers' Motivation and Ill-Structured Problem Solving in Korea

ERIC Educational Resources Information Center

Kim, Min Kyeong; Cho, Mi Kyung

2016-01-01

This article examines the use and application of an ill-structured problem to pre-service elementary teachers in Korea in order to find implications of pre-service teacher education with regard to contextualized problem solving by analyzing experiences of ill-structured problem solving. Participants were divided into small groups depending on the…

Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data

DOE PAGES

Nass, Karol; Meinhart, Anton; Barends, Thomas R. M.; ...

2016-03-09

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Furthermore, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysingmore » data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.« less

AnatomicalTerms.info: heading for an online solution to the anatomical synonym problem hurdles in data-reuse from the Terminologia Anatomica and the foundational model of anatomy and potentials for future development.

PubMed

Gobée, O Paul; Jansma, Daniël; DeRuiter, Marco C

2011-10-01

The many synonyms for anatomical structures confuse medical students and complicate medical communication. Easily accessible translations would alleviate this problem. None of the presently available resources-Terminologia Anatomica (TA), digital terminologies such as the Foundational Model of Anatomy (FMA), and websites-are fully satisfactory to this aim. Internet technologies offer new possibilities to solve the problem. Several authors have called for an online TA. An online translation resource should be easily accessible, user-friendly, comprehensive, expandable, and its quality determinable. As first step towards this goal, we built a translation website that we named www.AnatomicalTerms.info, based on the database of the FMA. It translates between English, Latin, eponyms, and to a lesser extent other languages, and presently contains over 31,000 terms for 7,250 structures, covering 95% of TA. In addition, it automatically presents searches for images, documents and anatomical variations regarding the sought structure. Several terminological and conceptual issues were encountered in transferring data from TA and FMA into AnatomicalTerms.info, resultant from these resources' different set-ups (paper versus digital) and targets (machine versus human-user). To the best of our knowledge, AnatomicalTerms.info is unique in its combination of user-friendliness and comprehensiveness. As next step, wiki-like expandability will be added to enable open contribution of clinical synonyms and terms in different languages. Specific quality measures will be taken to strike a balance between open contribution and quality assurance. AnatomicalTerms.info's mechanism that "translates" terms to structures furthermore may enhance targeted searching by linking images, descriptions, and other anatomical resources to the structures. Copyright © 2011 Wiley-Liss, Inc.

Determination of the Shear Stress Distribution in a Laminate from the Applied Shear Resultant--A Simplified Shear Solution

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Aboudi, Jacob; Yarrington, Phillip W.

2007-01-01

The simplified shear solution method is presented for approximating the through-thickness shear stress distribution within a composite laminate based on laminated beam theory. The method does not consider the solution of a particular boundary value problem, rather it requires only knowledge of the global shear loading, geometry, and material properties of the laminate or panel. It is thus analogous to lamination theory in that ply level stresses can be efficiently determined from global load resultants (as determined, for instance, by finite element analysis) at a given location in a structure and used to evaluate the margin of safety on a ply by ply basis. The simplified shear solution stress distribution is zero at free surfaces, continuous at ply boundaries, and integrates to the applied shear load. Comparisons to existing theories are made for a variety of laminates, and design examples are provided illustrating the use of the method for determining through-thickness shear stress margins in several types of composite panels and in the context of a finite element structural analysis.

System design and verification of the precession electron diffraction technique

NASA Astrophysics Data System (ADS)

Own, Christopher Su-Yan

2005-07-01

Bulk structural crystallography is generally a two-part process wherein a rough starting structure model is first derived, then later refined to give an accurate model of the structure. The critical step is the determination of the initial model. As materials problems decrease in length scale, the electron microscope has proven to be a versatile and effective tool for studying many problems. However, study of complex bulk structures by electron diffraction has been hindered by the problem of dynamical diffraction. This phenomenon makes bulk electron diffraction very sensitive to specimen thickness, and expensive equipment such as aberration-corrected scanning transmission microscopes or elaborate methodology such as high resolution imaging combined with diffraction and simulation are often required to generate good starting structures. The precession electron diffraction technique (PED), which has the ability to significantly reduce dynamical effects in diffraction patterns, has shown promise as being a "philosopher's stone" for bulk electron diffraction. However, a comprehensive understanding of its abilities and limitations is necessary before it can be put into widespread use as a standalone technique. This thesis aims to bridge the gaps in understanding and utilizing precession so that practical application might be realized. Two new PED systems have been built, and optimal operating parameters have been elucidated. The role of lens aberrations is described in detail, and an alignment procedure is given that shows how to circumvent aberration in order to obtain high-quality patterns. Multislice simulation is used for investigating the errors inherent in precession, and is also used as a reference for comparison to simple models and to experimental PED data. General trends over a large sampling of parameter space are determined. In particular, we show that the primary reflection intensity errors occur near the transmitted beam and decay with increasing angle and decreasing specimen thickness. These errors, occurring at the lowest spatial frequencies, fortuitously coincide with reflections for which phases are easiest to determine via imaging methods. A general two-beam dynamical model based upon an existing approximate model is found to be fairly accurate across most experimental conditions, particularly where it is needed for providing a correction to distorted data. Finally, the practical structure solution procedure using PED is demonstrated for several model material systems. Of the experiment parameters investigated, the cone semi-angle is found to be the most important (it should be as large as possible), followed closely by specimen thickness (thinner is better). Assuming good structure projection characteristics in the specimen, the thickness tractable by PED is extended to 40-50 nm without correction, demonstrated for complex oxides. With a forward calculation based upon the two-beam dynamical model (using known structure factors), usable specimen thickness can be extended past 150 nm. For a priori correction, using the squared amplitudes approximates the two-beam model for most thicknesses if the scattering from the structure adheres to psuedo-kinematical behavior. Practically, crystals up to 60 nm in thickness can now be processed by the precession methods developed in this thesis.

Acquisition and performance of a problem-solving skill.

NASA Technical Reports Server (NTRS)

Morgan, B. B., Jr.; Alluisi, E. A.

1971-01-01

The acquisition of skill in the performance of a three-phase code transformation task (3P-COTRAN) was studied with 20 subjects who solved 27 3P-COTRAN problems during each of 8 successive sessions. The purpose of the study was to determine the changes in the 3P-COTRAN factor structure resulting from practice, the distribution of practice-related gains in performance over the nine measures of the five 3P-COTRAN factors, and the effects of transformation complexities on the 3P-COTRAN performance of subjects. A significant performance gain due to practice was observed, with improvements in speed continuing even when accuracy reached asymptotic levels. Transformation complexity showed no effect on early performances but the 3- and 4-element transformations were solved quicker than the 5-element transformation in the problem-solving Phase III of later skilled performances.

Interlocked Problem Posing and Children's Problem Posing Performance in Free Structured Situations

ERIC Educational Resources Information Center

Cankoy, Osman

2014-01-01

The aim of this study is to explore the mathematical problem posing performance of students in free structured situations. Two classes of fifth grade students (N = 30) were randomly assigned to experimental and control groups. The categories of the problems posed in free structured situations by the 2 groups of students were studied through…

Frnakenstein: multiple target inverse RNA folding.

PubMed

Lyngsø, Rune B; Anderson, James W J; Sizikova, Elena; Badugu, Amarendra; Hyland, Tomas; Hein, Jotun

2012-10-09

RNA secondary structure prediction, or folding, is a classic problem in bioinformatics: given a sequence of nucleotides, the aim is to predict the base pairs formed in its three dimensional conformation. The inverse problem of designing a sequence folding into a particular target structure has only more recently received notable interest. With a growing appreciation and understanding of the functional and structural properties of RNA motifs, and a growing interest in utilising biomolecules in nano-scale designs, the interest in the inverse RNA folding problem is bound to increase. However, whereas the RNA folding problem from an algorithmic viewpoint has an elegant and efficient solution, the inverse RNA folding problem appears to be hard. In this paper we present a genetic algorithm approach to solve the inverse folding problem. The main aims of the development was to address the hitherto mostly ignored extension of solving the inverse folding problem, the multi-target inverse folding problem, while simultaneously designing a method with superior performance when measured on the quality of designed sequences. The genetic algorithm has been implemented as a Python program called Frnakenstein. It was benchmarked against four existing methods and several data sets totalling 769 real and predicted single structure targets, and on 292 two structure targets. It performed as well as or better at finding sequences which folded in silico into the target structure than all existing methods, without the heavy bias towards CG base pairs that was observed for all other top performing methods. On the two structure targets it also performed well, generating a perfect design for about 80% of the targets. Our method illustrates that successful designs for the inverse RNA folding problem does not necessarily have to rely on heavy biases in base pair and unpaired base distributions. The design problem seems to become more difficult on larger structures when the target structures are real structures, while no deterioration was observed for predicted structures. Design for two structure targets is considerably more difficult, but far from impossible, demonstrating the feasibility of automated design of artificial riboswitches. The Python implementation is available at http://www.stats.ox.ac.uk/research/genome/software/frnakenstein.

Frnakenstein: multiple target inverse RNA folding

PubMed Central

2012-01-01

Background RNA secondary structure prediction, or folding, is a classic problem in bioinformatics: given a sequence of nucleotides, the aim is to predict the base pairs formed in its three dimensional conformation. The inverse problem of designing a sequence folding into a particular target structure has only more recently received notable interest. With a growing appreciation and understanding of the functional and structural properties of RNA motifs, and a growing interest in utilising biomolecules in nano-scale designs, the interest in the inverse RNA folding problem is bound to increase. However, whereas the RNA folding problem from an algorithmic viewpoint has an elegant and efficient solution, the inverse RNA folding problem appears to be hard. Results In this paper we present a genetic algorithm approach to solve the inverse folding problem. The main aims of the development was to address the hitherto mostly ignored extension of solving the inverse folding problem, the multi-target inverse folding problem, while simultaneously designing a method with superior performance when measured on the quality of designed sequences. The genetic algorithm has been implemented as a Python program called Frnakenstein. It was benchmarked against four existing methods and several data sets totalling 769 real and predicted single structure targets, and on 292 two structure targets. It performed as well as or better at finding sequences which folded in silico into the target structure than all existing methods, without the heavy bias towards CG base pairs that was observed for all other top performing methods. On the two structure targets it also performed well, generating a perfect design for about 80% of the targets. Conclusions Our method illustrates that successful designs for the inverse RNA folding problem does not necessarily have to rely on heavy biases in base pair and unpaired base distributions. The design problem seems to become more difficult on larger structures when the target structures are real structures, while no deterioration was observed for predicted structures. Design for two structure targets is considerably more difficult, but far from impossible, demonstrating the feasibility of automated design of artificial riboswitches. The Python implementation is available at http://www.stats.ox.ac.uk/research/genome/software/frnakenstein. PMID:23043260

The Relevance of Finding a Solution to the Problem of Allegations Validation in the Conditions of Legal Culture Formation in Civil Society

ERIC Educational Resources Information Center

Akhmetov, Arman S.; Muchkin, Dmitriy P.; Utyubayev, Elnar Sh.

2016-01-01

The aim of this study is to identify and provide a clear idea about the helpful ways in determining the truth (or reliability) of arguments in the situations where it is necessary to make a decision. In this paper, we use systemic, structural-functional, activity approaches, methods of analysis, synthesis, moreover we discuss the works of…

The Method of Loci as a Mnemonic Device to Facilitate Learning in Endocrinology Leads to Improvement in Student Performance as Measured by Assessments

ERIC Educational Resources Information Center

Qureshi, Ayisha; Rizvi, Farwa; Syed, Anjum; Shahid, Aqueel; Manzoor, Hana

2014-01-01

Cognitive psychology has demonstrated that the way knowledge is structured in memory determines the ability to retain, recall, and use it to solve problems. The method of loci (MOL) is a mnemonic device that relies on spatial relationships between "loci" (e.g., locations on a familiar route or rooms in a familiar building) to arrange and…

Crack Initiation and Propagation Properties of HY 130 Steel Weldments Following Temper Embrittlement.

DTIC Science & Technology

1982-09-01

mechanics ( EPFM ) may be applied to engineering problems to determine material properties related to crack initiation and propagation. Specifically, these...Introduction The application of linear elastic fracture mechanics (LEFM) to engineering fracture analyses has become increasingly widespread and the use...structures to which the particular material was to be applied. The advent of elastic-plastic fracture mechanics ( EPFM ) has proven valuable because a

Methodical Approaches to Determine the Level of Risk Associated with the Formation of the Capital Structure in Conditions of Unsteady Economy

ERIC Educational Resources Information Center

Petrovskaya, Maria V.; Larionova, Anna A.; Zaitseva, Natalia A.; Bondarchuk, Natalya V.; Grigorieva, Elena M.

2016-01-01

The relevance of the problem stated in the article is that in conditions of nonstationary economy the modification of existing approaches and methods is necessary during the formation of the capital. These methods allow taking into account the heterogeneity of factors' change in time and the purpose of the development of a particular company,…

Evaluation of Time Domain EM Coupling Techniques. Volume II.

DTIC Science & Technology

1980-08-01

tool for the analysis of elec- tromangetic coupling and shielding problems: the finite-difference, time-domain (FD- TD ) solution of Maxwell’s equations...The objective of the program was to evaluate the suitability of the FD- TD method to determine the amount of electromagnetic coupling through an...specific questfiowwere addressed during this program: 1. Can the FD- TD method accurately model electromagnetic coupling into a conducting structure for

The mechanics of delamination in fiber-reinforced composite materials. I - Stress singularities and solution structure

NASA Technical Reports Server (NTRS)

Wang, S. S.; Choi, I.

1983-01-01

The fundamental mechanics of delamination in fiber composite laminates is studied. Mathematical formulation of the problem is based on laminate anisotropic elasticity theory and interlaminar fracture mechanics concepts. Stress singularities and complete solution structures associated with general composite delaminations are determined. For a fully open delamination with traction-free surfaces, oscillatory stress singularities always appear, leading to physically inadmissible field solutions. A refined model is introduced by considering a partially closed delamination with crack surfaces in finite-length contact. Stress singularities associated with a partially closed delamination having frictional crack-surface contact are determined, and are found to be different from the inverse square-root one of the frictionless-contact case. In the case of a delamination with very small area of crack closure, a simplified model having a square-root stress singularity is employed by taking the limit of the partially closed delamination. The possible presence of logarithmic-type stress singularity is examined; no logarithmic singularity of any kind is found in the composite delamination problem. Numerical examples of dominant stress singularities are shown for delaminations having crack-tip closure with different frictional coefficients between general (1) and (2) graphite-epoxy composites. Previously announced in STAR as N84-13221

Superconducting linear actuator

NASA Technical Reports Server (NTRS)

Johnson, Bruce; Hockney, Richard

1993-01-01

Special actuators are needed to control the orientation of large structures in space-based precision pointing systems. Electromagnetic actuators that presently exist are too large in size and their bandwidth is too low. Hydraulic fluid actuation also presents problems for many space-based applications. Hydraulic oil can escape in space and contaminate the environment around the spacecraft. A research study was performed that selected an electrically-powered linear actuator that can be used to control the orientation of a large pointed structure. This research surveyed available products, analyzed the capabilities of conventional linear actuators, and designed a first-cut candidate superconducting linear actuator. The study first examined theoretical capabilities of electrical actuators and determined their problems with respect to the application and then determined if any presently available actuators or any modifications to available actuator designs would meet the required performance. The best actuator was then selected based on available design, modified design, or new design for this application. The last task was to proceed with a conceptual design. No commercially-available linear actuator or modification capable of meeting the specifications was found. A conventional moving-coil dc linear actuator would meet the specification, but the back-iron for this actuator would weigh approximately 12,000 lbs. A superconducting field coil, however, eliminates the need for back iron, resulting in an actuator weight of approximately 1000 lbs.

Secondary Structure Prediction of Protein Constructs Using Random Incremental Truncation and Vacuum-Ultraviolet CD Spectroscopy

PubMed Central

Pukáncsik, Mária; Orbán, Ágnes; Nagy, Kinga; Matsuo, Koichi; Gekko, Kunihiko; Maurin, Damien; Hart, Darren; Kézsmárki, István; Vertessy, Beata G.

2016-01-01

A novel uracil-DNA degrading protein factor (termed UDE) was identified in Drosophila melanogaster with no significant structural and functional homology to other uracil-DNA binding or processing factors. Determination of the 3D structure of UDE is excepted to provide key information on the description of the molecular mechanism of action of UDE catalysis, as well as in general uracil-recognition and nuclease action. Towards this long-term aim, the random library ESPRIT technology was applied to the novel protein UDE to overcome problems in identifying soluble expressing constructs given the absence of precise information on domain content and arrangement. Nine constructs of UDE were chosen to decipher structural and functional relationships. Vacuum ultraviolet circular dichroism (VUVCD) spectroscopy was performed to define the secondary structure content and location within UDE and its truncated variants. The quantitative analysis demonstrated exclusive α-helical content for the full-length protein, which is preserved in the truncated constructs. Arrangement of α-helical bundles within the truncated protein segments suggested new domain boundaries which differ from the conserved motifs determined by sequence-based alignment of UDE homologues. Here we demonstrate that the combination of ESPRIT and VUVCD spectroscopy provides a new structural description of UDE and confirms that the truncated constructs are useful for further detailed functional studies. PMID:27273007

Analytic calculation of radio emission from parametrized extensive air showers: A tool to extract shower parameters

NASA Astrophysics Data System (ADS)

Scholten, O.; Trinh, T. N. G.; de Vries, K. D.; Hare, B. M.

2018-01-01

The radio intensity and polarization footprint of a cosmic-ray induced extensive air shower is determined by the time-dependent structure of the current distribution residing in the plasma cloud at the shower front. In turn, the time dependence of the integrated charge-current distribution in the plasma cloud, the longitudinal shower structure, is determined by interesting physics which one would like to extract, such as the location and multiplicity of the primary cosmic-ray collision or the values of electric fields in the atmosphere during thunderstorms. To extract the structure of a shower from its footprint requires solving a complicated inverse problem. For this purpose we have developed a code that semianalytically calculates the radio footprint of an extensive air shower given an arbitrary longitudinal structure. This code can be used in an optimization procedure to extract the optimal longitudinal shower structure given a radio footprint. On the basis of air-shower universality we propose a simple parametrization of the structure of the plasma cloud. This parametrization is based on the results of Monte Carlo shower simulations. Deriving the parametrization also teaches which aspects of the plasma cloud are important for understanding the features seen in the radio-emission footprint. The calculated radio footprints are compared with microscopic CoREAS simulations.

Asessing for Structural Understanding in Childrens' Combinatorial Problem Solving.

ERIC Educational Resources Information Center

English, Lyn

1999-01-01

Assesses children's structural understanding of combinatorial problems when presented in a variety of task situations. Provides an explanatory model of students' combinatorial understandings that informs teaching and assessment. Addresses several components of children's structural understanding of elementary combinatorial problems. (Contains 50…

A generalised multiple-mass based method for the determination of the live mass of a force transducer

NASA Astrophysics Data System (ADS)

Montalvão, Diogo; Baker, Thomas; Ihracska, Balazs; Aulaqi, Muhammad

2017-01-01

Many applications in Experimental Modal Analysis (EMA) require that the sensors' masses are known. This is because the added mass from sensors will affect the structural mode shapes, and in particular its natural frequencies. EMA requires the measurement of the exciting forces at given coordinates, which is often made using piezoelectric force transducers. In such a case, the live mass of the force transducer, i.e. the mass as 'seen' by the structure in perpendicular directions must be measured somehow, so that compensation methods like mass cancelation can be performed. This however presents a problem on how to obtain an accurate measurement for the live mass. If the system is perfectly calibrated, then a reasonably accurate estimate can be made using a straightforward method available in most classical textbooks based on Newton's second law. However, this is often not the case (for example when the transducer's sensitivity changed over time, when it is unknown or when the connection influences the transmission of the force). In a self-calibrating iterative method, both the live mass and calibration factor are determined, but this paper shows that the problem may be ill-conditioned, producing misleading results if certain conditions are not met. Therefore, a more robust method is presented and discussed in this paper, reducing the ill-conditioning problems and the need to know the calibration factors beforehand. The three methods will be compared and discussed through numerical and experimental examples, showing that classical EMA still is a field of research that deserves the attention from scientists and engineers.

Activation and thermodynamic parameter study of the heteronuclear C=O···H-N hydrogen bonding of diphenylurethane isomeric structures by FT-IR spectroscopy using the regularized inversion of an eigenvalue problem.

PubMed

Spegazzini, Nicolas; Siesler, Heinz W; Ozaki, Yukihiro

2012-08-02

The doublet of the ν(C=O) carbonyl band in isomeric urethane systems has been extensively discussed in qualitative terms on the basis of FT-IR spectroscopy of the macromolecular structures. Recently, a reaction extent model was proposed as an inverse kinetic problem for the synthesis of diphenylurethane for which hydrogen-bonded and non-hydrogen-bonded C=O functionalities were identified. In this article, the heteronuclear C=O···H-N hydrogen bonding in the isomeric structure of diphenylurethane synthesized from phenylisocyanate and phenol was investigated via FT-IR spectroscopy, using a methodology of regularization for the inverse reaction extent model through an eigenvalue problem. The kinetic and thermodynamic parameters of this system were derived directly from the spectroscopic data. The activation and thermodynamic parameters of the isomeric structures of diphenylurethane linked through a hydrogen bonding equilibrium were studied. The study determined the enthalpy (ΔH = 15.25 kJ/mol), entropy (TΔS = 14.61 kJ/mol), and free energy (ΔG = 0.6 kJ/mol) of heteronuclear C=O···H-N hydrogen bonding by FT-IR spectroscopy through direct calculation from the differences in the kinetic parameters (δΔ(‡)H, -TδΔ(‡)S, and δΔ(‡)G) at equilibrium in the chemical reaction system. The parameters obtained in this study may contribute toward a better understanding of the properties of, and interactions in, supramolecular systems, such as the switching behavior of hydrogen bonding.

Observed Human Errors in Interpreting 3D visualizations: implications for Teaching Students how to Comprehend Geological Block Diagrams

NASA Astrophysics Data System (ADS)

Bemis, K. G.; Pirl, E.; Chiang, J.; Tremaine, M.

2009-12-01

Block diagrams are commonly used to communicate three dimensional geological structures and other phenomena relevant to geological science (e.g., water bodies in the ocean). However, several recent studies have suggested that these 3D visualizations create difficulties for individuals with low to moderate spatial abilities. We have therefore initiated a series of studies to understand what it is about the 3D structures that make them so difficult for some people and also to determine if we can improve people’s understanding of these structures through web-based training not related to geology or other underlying information. Our first study examined what mistakes subjects made in a set of 3D block diagrams designed to represent progressively more difficult internal structures. Each block was shown bisected by a plane either perpendicular or at an angle to the block sides. Five low to medium spatial subjects were asked to draw the features that would appear on the bisecting plane. They were asked to talk aloud as they solved the problem. Each session was videotaped. Using the time it took subjects to solve the problems, the subject verbalizations of their problem solving and the drawings that were found to be in error, we have been able to find common patterns in the difficulties the subjects had with the diagrams. We have used these patterns to generate a set of strategies the subjects used in solving the problems. From these strategies, we are developing methods of teaching. A problem found in earlier work on geology structures was not observed in our study, that is, one of subjects failing to recognize the 2D representation of the block as 3D and drawing the cross-section as a combined version of the visible faces of the object. We attribute this to our experiment introduction, suggesting that even this simple training needs to be carried out with students encountering 3D block diagrams. Other problems subjects had included difficulties in perceptually recognizing variations in layer thicknesses, difficulties in recognizing an internal structure from the visible cues on the block walls, difficulties in mentally constructing objects and intersections that were not perpendicular, and difficulties in keeping track of the number of folds of a layer, and thus, the number of intersections of the layer with the bisecting plane. All of these problems suggest that web-based games giving mass practice with these variations in block diagram representations are likely to give any person appropriate skills in their interpretation. The time to complete the drawings and the errors in the drawings were also correlated with quantifiable properties of the diagrams, e.g., number of layers, number of folds in the layers, angle of bisection of the plane, etc. These will be used in further research to organize the training from easy to hard problems following what is known already about mass practice and developing abstracted skill sets. The plan is to also make the training adaptive, that is, to provide practice in those areas where an individual user is having the most problems.

A New Stochastic Equivalent Linearization Implementation for Prediction of Geometrically Nonlinear Vibrations

NASA Technical Reports Server (NTRS)

Muravyov, Alexander A.; Turner, Travis L.; Robinson, Jay H.; Rizzi, Stephen A.

1999-01-01

In this paper, the problem of random vibration of geometrically nonlinear MDOF structures is considered. The solutions obtained by application of two different versions of a stochastic linearization method are compared with exact (F-P-K) solutions. The formulation of a relatively new version of the stochastic linearization method (energy-based version) is generalized to the MDOF system case. Also, a new method for determination of nonlinear sti ness coefficients for MDOF structures is demonstrated. This method in combination with the equivalent linearization technique is implemented in a new computer program. Results in terms of root-mean-square (RMS) displacements obtained by using the new program and an existing in-house code are compared for two examples of beam-like structures.

Multidisciplinary Approach to Aerospike Nozzle Design

NASA Technical Reports Server (NTRS)

Korte, J. J.; Salas, A. O.; Dunn, H. J.; Alexandrov, N. M.; Follett, W. W.; Orient, G. E.; Hadid, A. H.

1997-01-01

A model of a linear aerospike rocket nozzle that consists of coupled aerodynamic and structural analyses has been developed. A nonlinear computational fluid dynamics code is used to calculate the aerodynamic thrust, and a three-dimensional finite-element model is used to determine the structural response and weight. The model will be used to demonstrate multidisciplinary design optimization (MDO) capabilities for relevant engine concepts, assess performance of various MDO approaches, and provide a guide for future application development. In this study, the MDO problem is formulated using the multidisciplinary feasible (MDF) strategy. The results for the MDF formulation are presented with comparisons against separate aerodynamic and structural optimized designs. Significant improvements are demonstrated by using a multidisciplinary approach in comparison with the single-discipline design strategy.

Modeling global vector fields of chaotic systems from noisy time series with the aid of structure-selection techniques.

PubMed

Xu, Daolin; Lu, Fangfang

2006-12-01

We address the problem of reconstructing a set of nonlinear differential equations from chaotic time series. A method that combines the implicit Adams integration and the structure-selection technique of an error reduction ratio is proposed for system identification and corresponding parameter estimation of the model. The structure-selection technique identifies the significant terms from a pool of candidates of functional basis and determines the optimal model through orthogonal characteristics on data. The technique with the Adams integration algorithm makes the reconstruction available to data sampled with large time intervals. Numerical experiment on Lorenz and Rossler systems shows that the proposed strategy is effective in global vector field reconstruction from noisy time series.

[Classification of organisms and structuralism in biology].

PubMed

Vasil'eva, L I

2001-01-01

Structuralism in biology is the oldest trend oriented to the search for natural "laws of forms" comparable with laws of growth of crystal, was revived at the end of 20th century on the basis of structuralist thought in socio-humanitarian sciences. The development of principal ideas of the linguistic structuralism in some aspects is similar to that of biological systematics, especially concerning the relationships between "system" and "evolution". However, apart from this general similarity, biological structuralism is strongly focused on familiar problems of the origin of diversity in nature. In their striving for the renovation of existing views, biological structuralists oppose the neo-darwinism emphasizing the existence of "law of forms", that are independent on heredity and genetic "determinism". The trend to develop so-called "rational taxonomy" is also characteristic of biological structuralism but this attempt failed being connected neither with Darwin's historicism nor with Plato's typology.

Tripartite-to-Bipartite Entanglement Transformation by Stochastic Local Operations and Classical Communication and the Structure of Matrix Spaces

NASA Astrophysics Data System (ADS)

Li, Yinan; Qiao, Youming; Wang, Xin; Duan, Runyao

2018-03-01

We study the problem of transforming a tripartite pure state to a bipartite one using stochastic local operations and classical communication (SLOCC). It is known that the tripartite-to-bipartite SLOCC convertibility is characterized by the maximal Schmidt rank of the given tripartite state, i.e. the largest Schmidt rank over those bipartite states lying in the support of the reduced density operator. In this paper, we further study this problem and exhibit novel results in both multi-copy and asymptotic settings, utilizing powerful results from the structure of matrix spaces. In the multi-copy regime, we observe that the maximal Schmidt rank is strictly super-multiplicative, i.e. the maximal Schmidt rank of the tensor product of two tripartite pure states can be strictly larger than the product of their maximal Schmidt ranks. We then provide a full characterization of those tripartite states whose maximal Schmidt rank is strictly super-multiplicative when taking tensor product with itself. Notice that such tripartite states admit strict advantages in tripartite-to-bipartite SLOCC transformation when multiple copies are provided. In the asymptotic setting, we focus on determining the tripartite-to-bipartite SLOCC entanglement transformation rate. Computing this rate turns out to be equivalent to computing the asymptotic maximal Schmidt rank of the tripartite state, defined as the regularization of its maximal Schmidt rank. Despite the difficulty caused by the super-multiplicative property, we provide explicit formulas for evaluating the asymptotic maximal Schmidt ranks of two important families of tripartite pure states by resorting to certain results of the structure of matrix spaces, including the study of matrix semi-invariants. These formulas turn out to be powerful enough to give a sufficient and necessary condition to determine whether a given tripartite pure state can be transformed to the bipartite maximally entangled state under SLOCC, in the asymptotic setting. Applying the recent progress on the non-commutative rank problem, we can verify this condition in deterministic polynomial time.

Advanced instrumentation: Technology database enhancement, volume 4, appendix G

NASA Technical Reports Server (NTRS)

1991-01-01

The purpose of this task was to add to the McDonnell Douglas Space Systems Company's Sensors Database, including providing additional information on the instruments and sensors applicable to physical/chemical Environmental Control and Life Support System (P/C ECLSS) or Closed Ecological Life Support System (CELSS) which were not previously included. The Sensors Database was reviewed in order to determine the types of data required, define the data categories, and develop an understanding of the data record structure. An assessment of the MDSSC Sensors Database identified limitations and problems in the database. Guidelines and solutions were developed to address these limitations and problems in order that the requirements of the task could be fulfilled.