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Sample records for computational cellular dynamics

  1. From Cnn Dynamics to Cellular Wave Computers

    NASA Astrophysics Data System (ADS)

    Roska, Tamas

    2013-01-01

    Embedded in a historical overview, the development of the Cellular Wave Computing paradigm is presented, starting from the standard CNN dynamics. The theoretical aspects, the physical implementation, the innovation process, as well as the biological relevance are discussed in details. Finally, the latest developments, the physical versus virtual cellular machines, as well as some open questions are presented.

  2. Computer-Automated Static, Dynamic and Cellular Bone Histomorphometry

    PubMed Central

    Hong, Seung-Hyun; Jiang, Xi; Chen, Li; Josh, Pujan; Shin, Dong-Guk; Rowe, David

    2013-01-01

    Dynamic and cellular histomorphometry of trabeculae is the most biologically relevant way of assessing steady state bone health. Traditional measurement involves manual visual feature identification by a trained and qualified professional. Inherent with this methodology is the time and cost expenditure, as well as the subjectivity that naturally arises under human visual inspection. In this work, we propose a rapidly deployable, automated, and objective method for dynamic histomorphometry. We demonstrate that our method is highly effective in assessing cellular activities in distal femur and vertebra of mice which are injected with calcein and alizarin complexone 7 and 2 days prior to sacrifice. The mineralized bone tissues of mice are cryosectioned using a tape transfer protocol. A sequential workflow is implemented in which endogenous fluorescent signals (bone mineral, green and red mineralization lines), tartrate resistant acid phosphatase identified by ELF-97 and alkaline phosphatase identified by Fast Red are captured as individual tiled images of the section for each fluorescent color. All the images are then submitted to an image analysis pipeline that automates identification of the mineralized regions of bone and selection of a region of interest. The TRAP and AP stained images are aligned to the mineralized image using strategically placed fluorescent registration beads. Fluorescent signals are identified and are related to the trabecular surface within the ROI. Subsequently, the pipelined method computes static measurements, dynamic measurements, and cellular activities of osteoclast and osteoblast related to the trabecular surface. Our method has been applied to the distal femurs and vertebrae of 8 and 16 week old male and female C57Bl/6J mice. The histomorphometric results reveal a significantly greater bone turnover rate in female in contrast to male irrespective of age, validating similar outcomes reported by other studies. PMID:25019033

  3. A full computation-relevant topological dynamics classification of elementary cellular automata

    NASA Astrophysics Data System (ADS)

    Schüle, Martin; Stoop, Ruedi

    2012-12-01

    Cellular automata are both computational and dynamical systems. We give a complete classification of the dynamic behaviour of elementary cellular automata (ECA) in terms of fundamental dynamic system notions such as sensitivity and chaoticity. The "complex" ECA emerge to be sensitive, but not chaotic and not eventually weakly periodic. Based on this classification, we conjecture that elementary cellular automata capable of carrying out complex computations, such as needed for Turing-universality, are at the "edge of chaos."

  4. Effects of cellular homeostatic intrinsic plasticity on dynamical and computational properties of biological recurrent neural networks.

    PubMed

    Naudé, Jérémie; Cessac, Bruno; Berry, Hugues; Delord, Bruno

    2013-09-18

    Homeostatic intrinsic plasticity (HIP) is a ubiquitous cellular mechanism regulating neuronal activity, cardinal for the proper functioning of nervous systems. In invertebrates, HIP is critical for orchestrating stereotyped activity patterns. The functional impact of HIP remains more obscure in vertebrate networks, where higher order cognitive processes rely on complex neural dynamics. The hypothesis has emerged that HIP might control the complexity of activity dynamics in recurrent networks, with important computational consequences. However, conflicting results about the causal relationships between cellular HIP, network dynamics, and computational performance have arisen from machine-learning studies. Here, we assess how cellular HIP effects translate into collective dynamics and computational properties in biological recurrent networks. We develop a realistic multiscale model including a generic HIP rule regulating the neuronal threshold with actual molecular signaling pathways kinetics, Dale's principle, sparse connectivity, synaptic balance, and Hebbian synaptic plasticity (SP). Dynamic mean-field analysis and simulations unravel that HIP sets a working point at which inputs are transduced by large derivative ranges of the transfer function. This cellular mechanism ensures increased network dynamics complexity, robust balance with SP at the edge of chaos, and improved input separability. Although critically dependent upon balanced excitatory and inhibitory drives, these effects display striking robustness to changes in network architecture, learning rates, and input features. Thus, the mechanism we unveil might represent a ubiquitous cellular basis for complex dynamics in neural networks. Understanding this robustness is an important challenge to unraveling principles underlying self-organization around criticality in biological recurrent neural networks. PMID:24048833

  5. Cellular computational networks--a scalable architecture for learning the dynamics of large networked systems.

    PubMed

    Luitel, Bipul; Venayagamoorthy, Ganesh Kumar

    2014-02-01

    Neural networks for implementing large networked systems such as smart electric power grids consist of multiple inputs and outputs. Many outputs lead to a greater number of parameters to be adapted. Each additional variable increases the dimensionality of the problem and hence learning becomes a challenge. Cellular computational networks (CCNs) are a class of sparsely connected dynamic recurrent networks (DRNs). By proper selection of a set of input elements for each output variable in a given application, a DRN can be modified into a CCN which significantly reduces the complexity of the neural network and allows use of simple training methods for independent learning in each cell thus making it scalable. This article demonstrates this concept of developing a CCN using dimensionality reduction in a DRN for scalability and better performance. The concept has been analytically explained and empirically verified through application. PMID:24300549

  6. Systematic Computation of Nonlinear Cellular and Molecular Dynamics with Low-Power CytoMimetic Circuits: A Simulation Study

    PubMed Central

    Papadimitriou, Konstantinos I.; Stan, Guy-Bart V.; Drakakis, Emmanuel M.

    2013-01-01

    This paper presents a novel method for the systematic implementation of low-power microelectronic circuits aimed at computing nonlinear cellular and molecular dynamics. The method proposed is based on the Nonlinear Bernoulli Cell Formalism (NBCF), an advanced mathematical framework stemming from the Bernoulli Cell Formalism (BCF) originally exploited for the modular synthesis and analysis of linear, time-invariant, high dynamic range, logarithmic filters. Our approach identifies and exploits the striking similarities existing between the NBCF and coupled nonlinear ordinary differential equations (ODEs) typically appearing in models of naturally encountered biochemical systems. The resulting continuous-time, continuous-value, low-power CytoMimetic electronic circuits succeed in simulating fast and with good accuracy cellular and molecular dynamics. The application of the method is illustrated by synthesising for the first time microelectronic CytoMimetic topologies which simulate successfully: 1) a nonlinear intracellular calcium oscillations model for several Hill coefficient values and 2) a gene-protein regulatory system model. The dynamic behaviours generated by the proposed CytoMimetic circuits are compared and found to be in very good agreement with their biological counterparts. The circuits exploit the exponential law codifying the low-power subthreshold operation regime and have been simulated with realistic parameters from a commercially available CMOS process. They occupy an area of a fraction of a square-millimetre, while consuming between 1 and 12 microwatts of power. Simulations of fabrication-related variability results are also presented. PMID:23393550

  7. Computational model of cellular metabolic dynamics: effect of insulin on glucose disposal in human skeletal muscle

    PubMed Central

    Li, Yanjun; Solomon, Thomas P. J.; Haus, Jacob M.; Saidel, Gerald M.; Cabrera, Marco E.

    2010-01-01

    Identifying the mechanisms by which insulin regulates glucose metabolism in skeletal muscle is critical to understanding the etiology of insulin resistance and type 2 diabetes. Our knowledge of these mechanisms is limited by the difficulty of obtaining in vivo intracellular data. To quantitatively distinguish significant transport and metabolic mechanisms from limited experimental data, we developed a physiologically based, multiscale mathematical model of cellular metabolic dynamics in skeletal muscle. The model describes mass transport and metabolic processes including distinctive processes of the cytosol and mitochondria. The model simulated skeletal muscle metabolic responses to insulin corresponding to human hyperinsulinemic-euglycemic clamp studies. Insulin-mediated rate of glucose disposal was the primary model input. For model validation, simulations were compared with experimental data: intracellular metabolite concentrations and patterns of glucose disposal. Model variations were simulated to investigate three alternative mechanisms to explain insulin enhancements: Model 1 (M.1), simple mass action; M.2, insulin-mediated activation of key metabolic enzymes (i.e., hexokinase, glycogen synthase, pyruvate dehydrogenase); or M.3, parallel activation by a phenomenological insulin-mediated intracellular signal that modifies reaction rate coefficients. These simulations indicated that models M.1 and M.2 were not sufficient to explain the experimentally measured metabolic responses. However, by application of mechanism M.3, the model predicts metabolite concentration changes and glucose partitioning patterns consistent with experimental data. The reaction rate fluxes quantified by this detailed model of insulin/glucose metabolism provide information that can be used to evaluate the development of type 2 diabetes. PMID:20332360

  8. Amorphous and Cellular Computing

    NASA Astrophysics Data System (ADS)

    Abelson, Harold; Sussman, Gerald J.; Knight, Thomas F., Jr

    2001-08-01

    The objective of this research is to create the architectural, algorithmic, and technological foundations for exploiting programmable materials. These are materials that incorporate vast numbers of programmable elements that react to each other and to their environment. Such materials can be fabricated economically, provided that the computing elements are amassed in bulk without arranging for precision interconnect and testing. In order to exploit programmable materials we must identify engineering principles for organizing and instructing myriad programmable entities to cooperate to robustly achieve pre-established goals, even though the individual entities are unreliable and interconnected in unknown, irregular, and time-varying ways. Progress in microfabrication and in bioengineering will make it possible to assemble such amorphous systems at almost no cost, provided that (1) the units need not all work correctly; (2) the units are identically programmed; and (3) there is no need to manufacture precise geometrical arrangements of the units or precise interconnections among them.

  9. Cellular automatons applied to gas dynamic problems

    NASA Astrophysics Data System (ADS)

    Long, Lyle N.; Coopersmith, Robert M.; McLachlan, B. G.

    1987-06-01

    This paper compares the results of a relatively new computational fluid dynamics method, cellular automatons, with experimental data and analytical results. This technique has been shown to qualitatively predict fluidlike behavior; however, there have been few published comparisons with experiment or other theories. Comparisons are made for a one-dimensional supersonic piston problem, Stokes first problem, and the flow past a normal flat plate. These comparisons are used to assess the ability of the method to accurately model fluid dynamic behavior and to point out its limitations. Reasonable results were obtained for all three test cases, but the fundamental limitations of cellular automatons are numerous. It may be misleading, at this time, to say that cellular automatons are a computationally efficient technique. Other methods, based on continuum or kinetic theory, would also be very efficient if as little of the physics were included.

  10. Cellular automatons applied to gas dynamic problems

    NASA Technical Reports Server (NTRS)

    Long, Lyle N.; Coopersmith, Robert M.; Mclachlan, B. G.

    1987-01-01

    This paper compares the results of a relatively new computational fluid dynamics method, cellular automatons, with experimental data and analytical results. This technique has been shown to qualitatively predict fluidlike behavior; however, there have been few published comparisons with experiment or other theories. Comparisons are made for a one-dimensional supersonic piston problem, Stokes first problem, and the flow past a normal flat plate. These comparisons are used to assess the ability of the method to accurately model fluid dynamic behavior and to point out its limitations. Reasonable results were obtained for all three test cases, but the fundamental limitations of cellular automatons are numerous. It may be misleading, at this time, to say that cellular automatons are a computationally efficient technique. Other methods, based on continuum or kinetic theory, would also be very efficient if as little of the physics were included.

  11. Symbolic Computation Using Cellular Automata-Based Hyperdimensional Computing.

    PubMed

    Yilmaz, Ozgur

    2015-12-01

    This letter introduces a novel framework of reservoir computing that is capable of both connectionist machine intelligence and symbolic computation. A cellular automaton is used as the reservoir of dynamical systems. Input is randomly projected onto the initial conditions of automaton cells, and nonlinear computation is performed on the input via application of a rule in the automaton for a period of time. The evolution of the automaton creates a space-time volume of the automaton state space, and it is used as the reservoir. The proposed framework is shown to be capable of long-term memory, and it requires orders of magnitude less computation compared to echo state networks. As the focus of the letter, we suggest that binary reservoir feature vectors can be combined using Boolean operations as in hyperdimensional computing, paving a direct way for concept building and symbolic processing. To demonstrate the capability of the proposed system, we make analogies directly on image data by asking, What is the automobile of air? PMID:26496041

  12. Cellular ubiquitin pool dynamics and homeostasis

    PubMed Central

    Ryu, Kwon-Yul

    2014-01-01

    Ubiquitin (Ub) is a versatile signaling molecule that plays important roles in a variety of cellular processes. Cellular Ub pools, which are composed of free Ub and Ub conjugates, are in dynamic equilibrium inside cells. In particular, increasing evidence suggests that Ub homeostasis, or the maintenance of free Ub above certain threshold levels, is important for cellular function and survival under normal or stress conditions. Accurate determination of various Ub species, including levels of free Ub and specific Ub chain linkages, have become possible in biological specimens as a result of the introduction of the proteomic approach using mass spectrometry. This technology has facilitated research on dynamic properties of cellular Ub pools and has provided tools for in-depth investigation of Ub homeostasis. In this review, we have also discussed the consequences of the disruption of Ub pool dynamics and homeostasis via deletion of polyubiquitin genes or mutations of deubiquitinating enzymes. The common consequence was a reduced availability of free Ub and a significant impact on the function and viability of cells. These observations further indicate that the levels of free Ub are important determinants for cellular protection. [BMB Reports 2014; 47(9): 475-482] PMID:24924398

  13. A hierarchical cellular logic for pyramid computers

    SciTech Connect

    Tanimoto, S.L.

    1984-11-01

    Hierarchical structure occurs in biological vision systems and there is good reason to incorporate it into a model of computation for processing binary images. A mathematical formalism is presented which can describe a wide variety of operations useful in image processing and graphics. The formalism allows for two kinds of simple transformations on the values (called pyramids) of a set of cells called a hierarchical domain: the first are binary operations on boolean values, and the second are neighborhood-matching operations. The implied model of computation is more structured than previously discussed pyramidal models, and is more readily realized in parallel hardware, while it remains sufficiently rich to provide efficient solutions to a wide variety of problems. The model has a simplicity which is due to the restricted nature of the operations and the implied synchronization across the hierarchical domain. A corresponding algebraic simplicity in the logic makes possible the concise representation of many cellular-data operations.

  14. Dynamical Systems Perspective of Wolfram's Cellular Automata

    NASA Astrophysics Data System (ADS)

    Courbage, M.; Kamiński, B.

    2013-01-01

    Leon Chua, following Wolfram, devoted a big effort to understand deeply the wealth of complexity of the rules of all elementary one-dimensional cellular automata from the point of view of the nonlinear dynamicist. Here we complete this point of view by a dynamical system perspective, extending them to the limit of infinite number of sites.

  15. Computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    1989-01-01

    An overview of computational fluid dynamics (CFD) activities at the Langley Research Center is given. The role of supercomputers in CFD research, algorithm development, multigrid approaches to computational fluid flows, aerodynamics computer programs, computational grid generation, turbulence research, and studies of rarefied gas flows are among the topics that are briefly surveyed.

  16. Computer Modeling of the Earliest Cellular Structures and Functions

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Chipot, Christophe; Schweighofer, Karl

    2000-01-01

    In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells). the most direct way to test our understanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform proto-cellular functions. Many of these functions, such as import of nutrients, capture and storage of energy. and response to changes in the environment are carried out by proteins bound to membrane< We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (eg. channels), and (c) by what mechanisms such aggregates perform essential proto-cellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each item in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10(exp 6)-10(exp 8) time steps.

  17. Evolving cellular automata to perform computations. Final technical report

    SciTech Connect

    Crutchfield, J.P.; Mitchell, M.

    1998-04-01

    The overall goals of the project are to determine the usefulness of genetic algorithms (GAs) in designing spatially extended parallel systems to perform computational tasks and to develop theoretical frameworks both for understanding the computation in the systems evolved by the GA and for understanding the evolutionary process which successful systems are designed. In the original proposal the authors scheduled the first year of the project to be devoted to experimental grounding. During the first year they developed the simulation and graphics software necessary for doing experiments and analysis on one dimensional cellular automata (CAs), and they performed extensive experiments and analysis concerning two computational tasks--density classification and synchronization. Details of these experiments and results, and a list of resulting publications, were given in the 1994--1995 report. The authors scheduled the second year to be devoted to theoretical development. (A third year, to be funded by the National Science Foundation, will be devoted to applications.) Accordingly, most of the effort during the second year was spent on theory, both of GAs and of the CAs that they evolve. A central notion is that of the computational strategy of a CA, which they formalize in terms of domains, particles, and particle interactions. This formalization builds on the computational mechanics framework developed by Crutchfield and Hanson for understanding intrinsic computation in spatially extended dynamical systems. They have made significant progress in the following areas: (1) statistical dynamics of GAs; (2) formalizing particle based computation in cellular automata; and (3) computation in two-dimensional CAs.

  18. Cellular Particle Dynamics simulation of biomechanical relaxation processes of multi-cellular systems

    NASA Astrophysics Data System (ADS)

    McCune, Matthew; Kosztin, Ioan

    2013-03-01

    Cellular Particle Dynamics (CPD) is a theoretical-computational-experimental framework for describing and predicting the time evolution of biomechanical relaxation processes of multi-cellular systems, such as fusion, sorting and compression. In CPD, cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through numerical integration of their equations of motion. Here we present CPD simulation results for the fusion of both spherical and cylindrical multi-cellular aggregates. First, we calibrate the relevant CPD model parameters for a given cell type by comparing the CPD simulation results for the fusion of two spherical aggregates to the corresponding experimental results. Next, CPD simulations are used to predict the time evolution of the fusion of cylindrical aggregates. The latter is relevant for the formation of tubular multi-cellular structures (i.e., primitive blood vessels) created by the novel bioprinting technology. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

  19. Literature Review on Dynamic Cellular Manufacturing System

    NASA Astrophysics Data System (ADS)

    Nouri Houshyar, A.; Leman, Z.; Pakzad Moghadam, H.; Ariffin, M. K. A. M.; Ismail, N.; Iranmanesh, H.

    2014-06-01

    In previous decades, manufacturers faced a lot of challenges because of globalization and high competition in markets. These problems arise from shortening product life cycle, rapid variation in demand of products, and also rapid changes in manufcaturing technologies. Nowadays most manufacturing companies expend considerable attention for improving flexibility and responsiveness in order to overcome these kinds of problems and also meet customer's needs. By considering the trend toward the shorter product life cycle, the manufacturing environment is towards manufacturing a wide variety of parts in small batches [1]. One of the major techniques which are applied for improving manufacturing competitiveness is Cellular Manufacturing System (CMS). CMS is type of manufacturing system which tries to combine flexibility of job shop and also productivity of flow shop. In addition, Dynamic cellular manufacturing system which considers different time periods for the manufacturing system becomes an important topic and attracts a lot of attention to itself. Therefore, this paper made attempt to have a brief review on this issue and focused on all published paper on this subject. Although, this topic gains a lot of attention to itself during these years, none of previous researchers focused on reviewing the literature of that which can be helpful and useful for other researchers who intend to do the research on this topic. Therefore, this paper is the first study which has focused and reviewed the literature of dynamic cellular manufacturing system.

  20. Complex dynamics of cellular automata rule 119

    NASA Astrophysics Data System (ADS)

    Chen, Fang-Fang; Chen, Fang-Yue

    2009-03-01

    In this paper, the dynamical behaviors of cellular automata rule 119 are studied from the viewpoint of symbolic dynamics in the bi-infinite symbolic sequence space Σ2. It is shown that there exists one Bernoulli-measure global attractor of rule 119, which is also the nonwandering set of the rule. Moreover, it is demonstrated that rule 119 is topologically mixing on the global attractor and possesses the positive topological entropy. Therefore, rule 119 is chaotic in the sense of both Li-Yorke and Devaney on the global attractor. It is interesting that rule 119, a member of Wolfram’s class II which was said to be simple as periodic before, actually possesses a chaotic global attractor in Σ2. Finally, it is noted that the method presented in this work is also applicable to studying the dynamics of other rules, especially the 112 Bernoulli-shift rules therein.

  1. Traffic jam dynamics in stochastic cellular automata

    SciTech Connect

    Nagel, K. |; Schreckenberg, M.

    1995-09-01

    Simple models for particles hopping on a grid (cellular automata) are used to simulate (single lane) traffic flow. Despite their simplicity, these models are astonishingly realistic in reproducing start-stop-waves and realistic fundamental diagrams. One can use these models to investigate traffic phenomena near maximum flow. A so-called phase transition at average maximum flow is visible in the life-times of jams. The resulting dynamic picture is consistent with recent fluid-dynamical results by Kuehne/Kerner/Konhaeuser, and with Treiterer`s hysteresis description. This places CA models between car-following models and fluid-dynamical models for traffic flow. CA models are tested in projects in Los Alamos (USA) and in NRW (Germany) for large scale microsimulations of network traffic.

  2. The Spatiotemporal Cellular Dynamics of Lung Immunity

    PubMed Central

    Lelkes, E.; Headley, M.B.; Thornton, E.E.; Looney, M.R.; Krummel, M.F.

    2014-01-01

    The lung is a complex structure that is interdigitated with immune cells. Understanding the 4-dimensional process of normal and defective lung function and immunity has been a centuries-old problem. Challenges intrinsic to the lung have limited adequate microscopic evaluation of its cellular dynamics in real time, until recently. Because of emerging technologies, we now recognize alveolar-to-airway transport of inhaled antigen. We understand the nature of neutrophil entry during lung injury and are learning more about cellular interactions during inflammatory states. Insights are also accumulating in lung development and the metatastatic niche of the lung. Here we assess the developing technology of lung imaging, its merits for studies of pathophysiology and areas where further advances are needed. PMID:24974157

  3. Parameter-less approaches for interpreting dynamic cellular response

    PubMed Central

    2014-01-01

    Cellular response such as cell signaling is an integral part of information processing in biology. Upon receptor stimulation, numerous intracellular molecules are invoked to trigger the transcription of genes for specific biological purposes, such as growth, differentiation, apoptosis or immune response. How complex are such specialized and sophisticated machinery? Computational modeling is an important tool for investigating dynamic cellular behaviors. Here, I focus on certain types of key signaling pathways that can be interpreted well using simple physical rules based on Boolean logic and linear superposition of response terms. From the examples shown, it is conceivable that for small-scale network modeling, reaction topology, rather than parameter values, is crucial for understanding population-wide cellular behaviors. For large-scale response, non-parametric statistical approaches have proven valuable for revealing emergent properties. PMID:25183996

  4. Rapid Cellular Identification by Dynamic Electromechanical Response

    SciTech Connect

    Nikiforov, Maxim; Jesse, Stephen; Kalinin, Sergei V; Reukov, Vladimir V; Vertegel, Alexey; Thompson, Gary L

    2009-01-01

    Coupling between electrical and mechanical phenomena is ubiquitous in living systems. Here, we demonstrate rapid identification of cellular organisms using difference in electromechanical activity in a broad frequency range. Principal component analysis of the dynamic electromechanical response spectra bundled with neural network based recognition provides a robust identification algorithm based on their electromechanical signature, and allows unambiguous differentiation of model Micrococcus Lysodeikticus and Pseudomonas Fluorescens system. This methodology provides a universal pathway for biological identification obviating the need for well-defined analytical models of Scanning Probe Microscopy response.

  5. Dynamics of active cellular response under stress

    NASA Astrophysics Data System (ADS)

    de, Rumi; Zemel, Assaf; Safran, Samuel

    2008-03-01

    Forces exerted by and on adherent cells are important for many physiological processes such as wound healing and tissue formation. In addition, recent experiments have shown that stem cell differentiation is controlled, at least in part, by the elasticity of the surrounding matrix. Using a simple theoretical model that includes the forces due to both the mechanosensitive nature of cells and the elastic response of the matrix, we predict the dynamics of orientation of cells. The model predicts many features observed in measurements of cellular forces and orientation including the increase with time of the forces generated by cells in the absence of applied stress and the consequent decrease of the force in the presence of quasi-static stresses. We also explain the puzzling observation of parallel alignment of cells for static and quasi-static stresses and of nearly perpendicular alignment for dynamically varying stresses. In addition, we predict the response of the cellular orientation to a sinusoidally varying applied stress as a function of frequency. The dependence of the cell orientation angle on the Poisson ratio of the surrounding material can be used to distinguish systems in which cell activity is controlled by stress from those where cell activity is controlled by strain. Reference: Nature Physics, vol. 3, pp 655 (2007).

  6. Understanding the Sub-Cellular Dynamics of Silicon Transportation and Synthesis in Diatoms Using Population-Level Data and Computational Optimization

    PubMed Central

    Javaheri, Narjes; Dries, Roland; Kaandorp, Jaap

    2014-01-01

    Controlled synthesis of silicon is a major challenge in nanotechnology and material science. Diatoms, the unicellular algae, are an inspiring example of silica biosynthesis, producing complex and delicate nano-structures. This happens in several cell compartments, including cytoplasm and silica deposition vesicle (SDV). Considering the low concentration of silicic acid in oceans, cells have developed silicon transporter proteins (SIT). Moreover, cells change the level of active SITs during one cell cycle, likely as a response to the level of external nutrients and internal deposition rates. Despite this topic being of fundamental interest, the intracellular dynamics of nutrients and cell regulation strategies remain poorly understood. One reason is the difficulties in measurements and manipulation of these mechanisms at such small scales, and even when possible, data often contain large errors. Therefore, using computational techniques seems inevitable. We have constructed a mathematical model for silicon dynamics in the diatom Thalassiosira pseudonana in four compartments: external environment, cytoplasm, SDV and deposited silica. The model builds on mass conservation and Michaelis-Menten kinetics as mass transport equations. In order to find the free parameters of the model from sparse, noisy experimental data, an optimization technique (global and local search), together with enzyme related penalty terms, has been applied. We have connected population-level data to individual-cell-level quantities including the effect of early division of non-synchronized cells. Our model is robust, proven by sensitivity and perturbation analysis, and predicts dynamics of intracellular nutrients and enzymes in different compartments. The model produces different uptake regimes, previously recognized as surge, externally-controlled and internally-controlled uptakes. Finally, we imposed a flux of SITs to the model and compared it with previous classical kinetics. The model

  7. Cellular automata and complex dynamics of driven elastic media

    SciTech Connect

    Coppersmith, S.N.; Littlewodd, P.B.; Sibani, P.

    1995-12-01

    Several systems of importance in condensed matter physics can be modelled as an elastic medium in a disordered environment and driven by an external force. In the simplest cases, the equation of motion involves competition between a local non-linear potential (fluctuating in space) and elastic coupling, as well as relaxational (inertialess) dynamics. Despite a simple mathematical description, the interactions between many degrees of freedom lead to the emergence of time and length scales much longer than those set by the microscopic dynamics. Extensive computations have improved the understanding of the behavior of such models, but full solutions of the equations of motion for very large systems are time-consuming and may obscure important physical principles in a massive volume of output. The development of cellular automata models has been crucial, both in conceptual simplification and in allowing the collection of data on many replicas of very large systems. We will discuss how the marriage of cellular automata models and parallel computation on a MasPar MP-1216 computer has helped to elucidate the dynamical properties of these many-degree-of-freedom systems.

  8. Infinity computations in cellular automaton forest-fire model

    NASA Astrophysics Data System (ADS)

    Iudin, D. I.; Sergeyev, Ya. D.; Hayakawa, M.

    2015-03-01

    Recently a number of traditional models related to the percolation theory has been considered by means of a new computational methodology that does not use Cantor's ideas and describes infinite and infinitesimal numbers in accordance with the principle 'The whole is greater than the part' (Euclid's Common Notion 5). Here we apply the new arithmetic to a cellular automaton forest-fire model which is connected with the percolation methodology and in some sense combines the dynamic and the static percolation problems and under certain conditions exhibits critical fluctuations. It is well known that there exist two versions of the model: real forest-fire model where fire catches adjacent trees in the forest in the step by step manner and simplified version with instantaneous combustion. Using new approach we observe that in both situations we deal with the same model but with different time resolution. We show that depending on the "microscope" we use the same cellular automaton forest-fire model reveals either instantaneous forest combustion or step by step firing. By means of the new approach it was also observed that as far as we choose an infinitesimal tree growing rate and infinitesimal ratio between the ignition probability and the growth probability we determine the measure or extent of the system size infinity that provides the criticality of the system dynamics. Correspondent inequalities for grosspowers are derived.

  9. Cellular automata modelling of biomolecular networks dynamics.

    PubMed

    Bonchev, D; Thomas, S; Apte, A; Kier, L B

    2010-01-01

    The modelling of biological systems dynamics is traditionally performed by ordinary differential equations (ODEs). When dealing with intracellular networks of genes, proteins and metabolites, however, this approach is hindered by network complexity and the lack of experimental kinetic parameters. This opened the field for other modelling techniques, such as cellular automata (CA) and agent-based modelling (ABM). This article reviews this emerging field of studies on network dynamics in molecular biology. The basics of the CA technique are discussed along with an extensive list of related software and websites. The application of CA to networks of biochemical reactions is exemplified in detail by the case studies of the mitogen-activated protein kinase (MAPK) signalling pathway, the FAS-ligand (FASL)-induced and Bcl-2-related apoptosis. The potential of the CA method to model basic pathways patterns, to identify ways to control pathway dynamics and to help in generating strategies to fight with cancer is demonstrated. The different line of CA applications presented includes the search for the best-performing network motifs, an analysis of importance for effective intracellular signalling and pathway cross-talk. PMID:20373215

  10. Computer Modeling of the Earliest Cellular Structures and Functions

    NASA Astrophysics Data System (ADS)

    Pohorille, Andrew

    2000-03-01

    In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells), the most direct way to test ourunderstanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform protocellular functions. Many of these functions, such as import of nutrients, capture and storage of energy, and response to changes in the environment are carried out by proteins bound to membranes. We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides)organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (e.g. channels), and (c) by what mechanisms such aggregates perform essential protocellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each atom in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10^6-10^8 time steps.

  11. Computational fluid dynamic control

    NASA Technical Reports Server (NTRS)

    Hartley, Tom T.; Deabreu-Garcia, Alex

    1989-01-01

    A general technique is presented for modeling fluid, or gas, dynamic systems specifically for the development of control systems. The numerical methods which are generally used in computational fluid dynamics are borrowed to create either continuous-time or discrete-time models of the particular fluid system. The resulting equations can be either left in a nonlinear form, or easily linearized about an operating point. As there are typically very many states in these systems, the usual linear model reduction methods can be used on them to allow a low-order controller to be designed. A simple example is given which typifies many internal flow control problems. The resulting control is termed computational fluid dynamic control.

  12. Computational Fluid Dynamics

    NASA Astrophysics Data System (ADS)

    Chung, T. J.

    2002-03-01

    Computational fluid dynamics (CFD) techniques are used to study and solve complex fluid flow and heat transfer problems. This comprehensive text ranges from elementary concepts for the beginner to state-of-the-art CFD for the practitioner. It discusses and illustrates the basic principles of finite difference (FD), finite element (FE), and finite volume (FV) methods, with step-by-step hand calculations. Chapters go on to examine structured and unstructured grids, adaptive methods, computing techniques, and parallel processing. Finally, the author describes a variety of practical applications to problems in turbulence, reacting flows and combustion, acoustics, combined mode radiative heat transfer, multiphase flows, electromagnetic fields, and relativistic astrophysical flows. Students and practitioners--particularly in mechanical, aerospace, chemical, and civil engineering--will use this authoritative text to learn about and apply numerical techniques to the solution of fluid dynamics problems.

  13. Computational fluid dynamics research

    NASA Technical Reports Server (NTRS)

    Chandra, Suresh; Jones, Kenneth; Hassan, Hassan; Mcrae, David Scott

    1992-01-01

    The focus of research in the computational fluid dynamics (CFD) area is two fold: (1) to develop new approaches for turbulence modeling so that high speed compressible flows can be studied for applications to entry and re-entry flows; and (2) to perform research to improve CFD algorithm accuracy and efficiency for high speed flows. Research activities, faculty and student participation, publications, and financial information are outlined.

  14. Computational reacting gas dynamics

    NASA Technical Reports Server (NTRS)

    Lam, S. H.

    1993-01-01

    In the study of high speed flows at high altitudes, such as that encountered by re-entry spacecrafts, the interaction of chemical reactions and other non-equilibrium processes in the flow field with the gas dynamics is crucial. Generally speaking, problems of this level of complexity must resort to numerical methods for solutions, using sophisticated computational fluid dynamics (CFD) codes. The difficulties introduced by reacting gas dynamics can be classified into three distinct headings: (1) the usually inadequate knowledge of the reaction rate coefficients in the non-equilibrium reaction system; (2) the vastly larger number of unknowns involved in the computation and the expected stiffness of the equations; and (3) the interpretation of the detailed reacting CFD numerical results. The research performed accepts the premise that reacting flows of practical interest in the future will in general be too complex or 'untractable' for traditional analytical developments. The power of modern computers must be exploited. However, instead of focusing solely on the construction of numerical solutions of full-model equations, attention is also directed to the 'derivation' of the simplified model from the given full-model. In other words, the present research aims to utilize computations to do tasks which have traditionally been done by skilled theoreticians: to reduce an originally complex full-model system into an approximate but otherwise equivalent simplified model system. The tacit assumption is that once the appropriate simplified model is derived, the interpretation of the detailed numerical reacting CFD numerical results will become much easier. The approach of the research is called computational singular perturbation (CSP).

  15. Computation Modeling of Limb-bud Dysmorphogenesis: Predicting Cellular Dynamics and Key Events in Developmental Toxicity with a Multicellular Systems Model (FutureToxII)

    EPA Science Inventory

    Congenital limb malformations are among the most frequent malformation occurs in humans, with a frequency of about 1 in 500 to 1 in 1000 human live births. ToxCast is profiling the bioactivity of thousands of chemicals based on high-throughput (HTS) and computational methods that...

  16. Computational fluid dynamic applications

    SciTech Connect

    Chang, S.-L.; Lottes, S. A.; Zhou, C. Q.

    2000-04-03

    The rapid advancement of computational capability including speed and memory size has prompted the wide use of computational fluid dynamics (CFD) codes to simulate complex flow systems. CFD simulations are used to study the operating problems encountered in system, to evaluate the impacts of operation/design parameters on the performance of a system, and to investigate novel design concepts. CFD codes are generally developed based on the conservation laws of mass, momentum, and energy that govern the characteristics of a flow. The governing equations are simplified and discretized for a selected computational grid system. Numerical methods are selected to simplify and calculate approximate flow properties. For turbulent, reacting, and multiphase flow systems the complex processes relating to these aspects of the flow, i.e., turbulent diffusion, combustion kinetics, interfacial drag and heat and mass transfer, etc., are described in mathematical models, based on a combination of fundamental physics and empirical data, that are incorporated into the code. CFD simulation has been applied to a large variety of practical and industrial scale flow systems.

  17. A computational study of liposome logic: towards cellular computing from the bottom up.

    PubMed

    Smaldon, James; Romero-Campero, Francisco J; Fernández Trillo, Francisco; Gheorghe, Marian; Alexander, Cameron; Krasnogor, Natalio

    2010-09-01

    In this paper we propose a new bottom-up approach to cellular computing, in which computational chemical processes are encapsulated within liposomes. This "liposome logic" approach (also called vesicle computing) makes use of supra-molecular chemistry constructs, e.g. protocells, chells, etc. as minimal cellular platforms to which logical functionality can be added. Modeling and simulations feature prominently in "top-down" synthetic biology, particularly in the specification, design and implementation of logic circuits through bacterial genome reengineering. The second contribution in this paper is the demonstration of a novel set of tools for the specification, modelling and analysis of "bottom-up" liposome logic. In particular, simulation and modelling techniques are used to analyse some example liposome logic designs, ranging from relatively simple NOT gates and NAND gates to SR-Latches, D Flip-Flops all the way to 3 bit ripple counters. The approach we propose consists of specifying, by means of P systems, gene regulatory network-like systems operating inside proto-membranes. This P systems specification can be automatically translated and executed through a multiscaled pipeline composed of dissipative particle dynamics (DPD) simulator and Gillespie's stochastic simulation algorithm (SSA). Finally, model selection and analysis can be performed through a model checking phase. This is the first paper we are aware of that brings to bear formal specifications, DPD, SSA and model checking to the problem of modeling target computational functionality in protocells. Potential chemical routes for the laboratory implementation of these simulations are also discussed thus for the first time suggesting a potentially realistic physiochemical implementation for membrane computing from the bottom-up. PMID:21886681

  18. Stochastic cellular automata model for wildland fire spread dynamics

    NASA Astrophysics Data System (ADS)

    Maduro Almeida, Rodolfo; Macau, Elbert E. N.

    2011-03-01

    A stochastic cellular automata model for wildland fire spread under flat terrain and no-wind conditions is proposed and its dynamics is characterized and analyzed. One of three possible states characterizes each cell: vegetation cell, burning cell and burnt cell. The dynamics of fire spread is modeled as a stochastic event with an effective fire spread probability S which is a function of three probabilities that characterize: the proportion of vegetation cells across the lattice, the probability of a burning cell becomes burnt, and the probability of the fire spread from a burning cell to a neighboring vegetation cell. A set of simulation experiments is performed to analyze the effects of different values of the three probabilities in the fire pattern. Monte-Carlo simulations indicate that there is a critical line in the model parameter space that separates the set of parameters which a fire can propagate from those for which it cannot propagate. Finally, the relevance of the model is discussed under the light of computational experiments that illustrate the capability of the model catches both the dynamical and static qualitative properties of fire propagation.

  19. Computational Fluid Dynamics Library

    Energy Science and Technology Software Center (ESTSC)

    2005-03-04

    CFDLib05 is the Los Alamos Computational Fluid Dynamics LIBrary. This is a collection of hydrocodes using a common data structure and a common numerical method, for problems ranging from single-field, incompressible flow, to multi-species, multi-field, compressible flow. The data structure is multi-block, with a so-called structured grid in each block. The numerical method is a Finite-Volume scheme employing a state vector that is fully cell-centered. This means that the integral form of the conservation lawsmore » is solved on the physical domain that is represented by a mesh of control volumes. The typical control volume is an arbitrary quadrilateral in 2D and an arbitrary hexahedron in 3D. The Finite-Volume scheme is for time-unsteady flow and remains well coupled by means of time and space centered fluxes; if a steady state solution is required, the problem is integrated forward in time until the user is satisfied that the state is stationary.« less

  20. Efficient Inference of Parsimonious Phenomenological Models of Cellular Dynamics Using S-Systems and Alternating Regression

    PubMed Central

    Daniels, Bryan C.; Nemenman, Ilya

    2015-01-01

    The nonlinearity of dynamics in systems biology makes it hard to infer them from experimental data. Simple linear models are computationally efficient, but cannot incorporate these important nonlinearities. An adaptive method based on the S-system formalism, which is a sensible representation of nonlinear mass-action kinetics typically found in cellular dynamics, maintains the efficiency of linear regression. We combine this approach with adaptive model selection to obtain efficient and parsimonious representations of cellular dynamics. The approach is tested by inferring the dynamics of yeast glycolysis from simulated data. With little computing time, it produces dynamical models with high predictive power and with structural complexity adapted to the difficulty of the inference problem. PMID:25806510

  1. Quantum-cellular-automata quantum computing with endohedral fullerenes

    NASA Astrophysics Data System (ADS)

    Twamley, J.

    2003-05-01

    We present a scheme to perform universal quantum computation using global addressing techniques as applied to a physical system of endohedrally doped fullerenes. The system consists of an ABAB linear array of group-V endohedrally doped fullerenes. Each molecule spin site consists of a nuclear spin coupled via a hyperfine interaction to an electron spin. The electron spin of each molecule is in a quartet ground state S=3/2. Neighboring molecular electron spins are coupled via a magnetic dipole interaction. We find that an all-electron construction of a quantum cellular automaton is frustrated due to the degeneracy of the electronic transitions. However, we can construct a quantum-cellular-automata quantum computing architecture using these molecules by encoding the quantum information on the nuclear spins while using the electron spins as a local bus. We deduce the NMR and ESR pulses required to execute the basic cellular automaton operation and obtain a rough figure of merit for the number of gate operations per decoherence time. We find that this figure of merit compares well with other physical quantum computer proposals. We argue that the proposed architecture meets well the first four DiVincenzo criteria and we outline various routes toward meeting the fifth criterion: qubit readout.

  2. Real-Time Bioluminescent Tracking of Cellular Population Dynamics

    SciTech Connect

    Close, Dan; Sayler, Gary Steven; Xu, Tingting; Ripp, Steven Anthony

    2014-01-01

    Cellular population dynamics are routinely monitored across many diverse fields for a variety of purposes. In general, these dynamics are assayed either through the direct counting of cellular aliquots followed by extrapolation to the total population size, or through the monitoring of signal intensity from any number of externally stimulated reporter proteins. While both viable methods, here we describe a novel technique that allows for the automated, non-destructive tracking of cellular population dynamics in real-time. This method, which relies on the detection of a continuous bioluminescent signal produced through expression of the bacterial luciferase gene cassette, provides a low cost, low time-intensive means for generating additional data compared to alternative methods.

  3. The role of cellular environment in dynamic light scattering

    NASA Astrophysics Data System (ADS)

    An, Ran; Jeong, Kwan; Turek, John; Nolte, David

    2011-03-01

    We have developed motility contrast imaging (MCI) as a coherence-domain volumetric imaging approach that uses subcellular dynamics as an endogenous imaging contrast agent of living tissue. Fluctuation spectroscopy analysis of dynamic light scattering (DLS) from 3-D tissue has identified functional frequency bands related to organelle transport, membrane undulations and cell shape change. In this paper, we track the behavior of dynamic light scattering as we bridge the gap between the two extremes of 2-D cell culture on the one hand, and 3-D tissue spheroids on the other. In a light backscattering geometry, we capture speckle from 2-D cell culture consisting of isolated cells or planar rafts of cells on cell-culture surfaces. DLS from that cell culture shows differences and lower sensitivity to intra-cellular dynamics compared with the 3-D tissue. The motility contrast is weak in this limit. As the cellular density increases to cover the surface, the motility contrast increases. As environmental perturbations or pharmaceuticals are applied, the fluctuation spectral response becomes more dramatic as the dimensionality of the cellular aggregations increases. We show that changing optical thickness of the cellular-to-tissue targets usually causes characteristic frequency shifts in the spectrograms, while changing cellular dimensionality causes characteristic frequencies to be enhanced or suppressed.

  4. Inferring biological dynamics in heterogeneous cellular environments

    NASA Astrophysics Data System (ADS)

    Pressé, Steve

    In complex environments, it often appears that biomolecules such as proteins do not diffuse normally. That is, their mean square displacement does not scale linearly with time. This anomalous diffusion happens for multiple reasons: proteins can bind to structures and other proteins; fluorophores used to label proteins may flicker or blink making it appear that the labeled protein is diffusing anomalously; and proteins can diffuse in differently crowded environments. Here we describe methods for learning about such processes from imaging data collected inside the heterogeneous environment of the living cell. Refs.: ''Inferring Diffusional Dynamics from FCS in Heterogeneous Nuclear Environments'' Konstantinos Tsekouras, Amanda Siegel, Richard N. Day, Steve Pressé*, Biophys. J. , 109, 7 (2015). ''A data-driven alternative to the fractional Fokker-Planck equation'' Steve Pressé*, J. Stat. Phys.: Th. and Expmt. , P07009 (2015).

  5. Bimolecular dynamics by computer analysis

    SciTech Connect

    Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

    1984-01-01

    As numerical tools (computers and display equipment) become more powerful and the atomic structures of important biological molecules become known, the importance of detailed computation of nonequilibrium biomolecular dynamics increases. In this manuscript we report results from a well developed study of the hydrogen bonded polypeptide crystal acetanilide, a model protein. Directions for future research are suggested. 9 references, 6 figures.

  6. Computational aspects of multibody dynamics

    NASA Technical Reports Server (NTRS)

    Park, K. C.

    1989-01-01

    Computational aspects are addressed which impact the requirements for developing a next generation software system for flexible multibody dynamics simulation which include: criteria for selecting candidate formulation, pairing of formulations with appropriate solution procedures, need for concurrent algorithms to utilize computer hardware advances, and provisions for allowing open-ended yet modular analysis modules.

  7. Computer animation challenges for computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Vines, Mauricio; Lee, Won-Sook; Mavriplis, Catherine

    2012-07-01

    Computer animation requirements differ from those of traditional computational fluid dynamics (CFD) investigations in that visual plausibility and rapid frame update rates trump physical accuracy. We present an overview of the main techniques for fluid simulation in computer animation, starting with Eulerian grid approaches, the Lattice Boltzmann method, Fourier transform techniques and Lagrangian particle introduction. Adaptive grid methods, precomputation of results for model reduction, parallelisation and computation on graphical processing units (GPUs) are reviewed in the context of accelerating simulation computations for animation. A survey of current specific approaches for the application of these techniques to the simulation of smoke, fire, water, bubbles, mixing, phase change and solid-fluid coupling is also included. Adding plausibility to results through particle introduction, turbulence detail and concentration on regions of interest by level set techniques has elevated the degree of accuracy and realism of recent animations. Basic approaches are described here. Techniques to control the simulation to produce a desired visual effect are also discussed. Finally, some references to rendering techniques and haptic applications are mentioned to provide the reader with a complete picture of the challenges of simulating fluids in computer animation.

  8. Computational Workbench for Multibody Dynamics

    NASA Technical Reports Server (NTRS)

    Edmonds, Karina

    2007-01-01

    PyCraft is a computer program that provides an interactive, workbenchlike computing environment for developing and testing algorithms for multibody dynamics. Examples of multibody dynamic systems amenable to analysis with the help of PyCraft include land vehicles, spacecraft, robots, and molecular models. PyCraft is based on the Spatial-Operator- Algebra (SOA) formulation for multibody dynamics. The SOA operators enable construction of simple and compact representations of complex multibody dynamical equations. Within the Py-Craft computational workbench, users can, essentially, use the high-level SOA operator notation to represent the variety of dynamical quantities and algorithms and to perform computations interactively. PyCraft provides a Python-language interface to underlying C++ code. Working with SOA concepts, a user can create and manipulate Python-level operator classes in order to implement and evaluate new dynamical quantities and algorithms. During use of PyCraft, virtually all SOA-based algorithms are available for computational experiments.

  9. Incisive Imaging and Computation for Cellular Mysteries: Lessons from Abscission

    PubMed Central

    Elia, Natalie; Ott, Carolyn; Lippincott-Schwartz, Jennifer

    2014-01-01

    The final cleavage event that terminates cell division, abscission of the small, dense intercellular bridge, has been particularly challenging to resolve. Here, we describe imaging innovations that helped answer long-standing questions about the mechanism of abscission. We further explain how computational modeling of high-resolution data was employed to test hypotheses and generate additional insights. We present the model that emerges from application of these complimentary approaches. Similar experimental strategies will undoubtedly reveal exciting details about other underresolved cellular structures. PMID:24315094

  10. Cellular Dynamic Simulator: An Event Driven Molecular Simulation Environment for Cellular Physiology

    PubMed Central

    Byrne, Michael J.; Waxham, M. Neal; Kubota, Yoshihisa

    2010-01-01

    In this paper, we present the Cellular Dynamic Simulator (CDS) for simulating diffusion and chemical reactions within crowded molecular environments. CDS is based on a novel event driven algorithm specifically designed for precise calculation of the timing of collisions, reactions and other events for each individual molecule in the environment. Generic mesh based compartments allow the creation / importation of very simple or detailed cellular structures that exist in a 3D environment. Multiple levels of compartments and static obstacles can be used to create a dense environment to mimic cellular boundaries and the intracellular space. The CDS algorithm takes into account volume exclusion and molecular crowding that may impact signaling cascades in small sub-cellular compartments such as dendritic spines. With the CDS, we can simulate simple enzyme reactions; aggregation, channel transport, as well as highly complicated chemical reaction networks of both freely diffusing and membrane bound multi-protein complexes. Components of the CDS are generally defined such that the simulator can be applied to a wide range of environments in terms of scale and level of detail. Through an initialization GUI, a simple simulation environment can be created and populated within minutes yet is powerful enough to design complex 3D cellular architecture. The initialization tool allows visual confirmation of the environment construction prior to execution by the simulator. This paper describes the CDS algorithm, design implementation, and provides an overview of the types of features available and the utility of those features are highlighted in demonstrations. PMID:20361275

  11. Coordination of Cellular Dynamics Contributes to Tooth Epithelium Deformations.

    PubMed

    Morita, Ritsuko; Kihira, Miho; Nakatsu, Yousuke; Nomoto, Yohei; Ogawa, Miho; Ohashi, Kazumasa; Mizuno, Kensaku; Tachikawa, Tetsuhiko; Ishimoto, Yukitaka; Morishita, Yoshihiro; Tsuji, Takashi

    2016-01-01

    The morphologies of ectodermal organs are shaped by appropriate combinations of several deformation modes, such as invagination and anisotropic tissue elongation. However, how multicellular dynamics are coordinated during deformation processes remains to be elucidated. Here, we developed a four-dimensional (4D) analysis system for tracking cell movement and division at a single-cell resolution in developing tooth epithelium. The expression patterns of a Fucci probe clarified the region- and stage-specific cell cycle patterns within the tooth germ, which were in good agreement with the pattern of the volume growth rate estimated from tissue-level deformation analysis. Cellular motility was higher in the regions with higher growth rates, while the mitotic orientation was significantly biased along the direction of tissue elongation in the epithelium. Further, these spatio-temporal patterns of cellular dynamics and tissue-level deformation were highly correlated with that of the activity of cofilin, which is an actin depolymerization factor, suggesting that the coordination of cellular dynamics via actin remodeling plays an important role in tooth epithelial morphogenesis. Our system enhances the understanding of how cellular behaviors are coordinated during ectodermal organogenesis, which cannot be observed from histological analyses. PMID:27588418

  12. Molecular dynamics on vector computers

    NASA Astrophysics Data System (ADS)

    Sullivan, F.; Mountain, R. D.; Oconnell, J.

    1985-10-01

    An algorithm called the method of lights (MOL) has been developed for the computerized simulation of molecular dynamics. The MOL, implemented on the CYBER 205 computer, is based on sorting and reformulating the manner in which neighbor lists are compiled, and it uses data structures compatible with specialized vector statements that perform parallel computations. The MOL is found to reduce running time over standard methods in scalar form, and vectorization is shown to produce an order-of-magnitude reduction in execution time.

  13. Analysing Dynamical Behavior of Cellular Networks via Stochastic Bifurcations

    PubMed Central

    Zakharova, Anna; Kurths, Jürgen; Vadivasova, Tatyana; Koseska, Aneta

    2011-01-01

    The dynamical structure of genetic networks determines the occurrence of various biological mechanisms, such as cellular differentiation. However, the question of how cellular diversity evolves in relation to the inherent stochasticity and intercellular communication remains still to be understood. Here, we define a concept of stochastic bifurcations suitable to investigate the dynamical structure of genetic networks, and show that under stochastic influence, the expression of given proteins of interest is defined via the probability distribution of the phase variable, representing one of the genes constituting the system. Moreover, we show that under changing stochastic conditions, the probabilities of expressing certain concentration values are different, leading to different functionality of the cells, and thus to differentiation of the cells in the various types. PMID:21647432

  14. Application-Aware Dynamic Retransmission Control in Mobile Cellular Networks

    NASA Astrophysics Data System (ADS)

    Halima, Nadhir Ben; Kliazovich, Dzmitry; Granelli, Fabrizio

    This paper proposes an application-aware cross-layer approach between application/transport layers on the mobile terminal and link layer at the wireless base station to enable dynamic control on the strength of per-packet error protection for multimedia and data transfers. Specifically, in the context of cellular networks, the proposed scheme allows to control the desired level of Hybrid ARQ (HARQ) protection by using an in-band control feedback channel. Such protection is dynamically adapted on a per-packet basis and depends on the perceptual importance of different packets as well as on the reception history of the flow.

  15. Analog computation with dynamical systems

    NASA Astrophysics Data System (ADS)

    Siegelmann, Hava T.; Fishman, Shmuel

    1998-09-01

    Physical systems exhibit various levels of complexity: their long term dynamics may converge to fixed points or exhibit complex chaotic behavior. This paper presents a theory that enables to interpret natural processes as special purpose analog computers. Since physical systems are naturally described in continuous time, a definition of computational complexity for continuous time systems is required. In analogy with the classical discrete theory we develop fundamentals of computational complexity for dynamical systems, discrete or continuous in time, on the basis of an intrinsic time scale of the system. Dissipative dynamical systems are classified into the computational complexity classes P d, Co-RP d, NP d and EXP d, corresponding to their standard counterparts, according to the complexity of their long term behavior. The complexity of chaotic attractors relative to regular ones leads to the conjecture P d ≠ NP d. Continuous time flows have been proven useful in solving various practical problems. Our theory provides the tools for an algorithmic analysis of such flows. As an example we analyze the continuous Hopfield network.

  16. Changes in single-molecule integrin dynamics linked to local cellular behavior

    PubMed Central

    Jaqaman, Khuloud; Galbraith, James A.; Davidson, Michael W.; Galbraith, Catherine G.

    2016-01-01

    Recent advances in light microscopy permit visualization of the behavior of individual molecules within dense macromolecular ensembles in live cells. It is now conceptually possible to relate the dynamic organization of molecular machinery to cellular function. However, inherent heterogeneities, as well as disparities between spatial and temporal scales, pose substantial challenges in deriving such a relationship. New approaches are required to link discrete single-molecule behavior with continuous cellular-level processes. Here we combined intercalated molecular and cellular imaging with a computational framework to detect reproducible transient changes in the behavior of individual molecules that are linked to cellular behaviors. Applying our approach to integrin transmembrane receptors revealed a spatial density gradient underlying characteristic molecular density increases and mobility decreases, indicating the subsequent onset of local protrusive activity. Integrin mutants further revealed that these density and mobility transients are separable and depend on different binding domains within the integrin cytoplasmic tail. Our approach provides a generalizable paradigm for dissecting dynamic spatiotemporal molecular behaviors linked to local cellular events. PMID:27009207

  17. Cellular Biotechnology Operations Support System Fluid Dynamics Investigation

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Aboard the International Space Station (ISS), the Tissue Culture Medium (TCM) is the bioreactor vessel in which cell cultures are grown. With its two syringe ports, it is much like a bag used to administer intravenous fluid, except it allows gas exchange needed for life. The TCM contains cell culture medium, and when frozen cells are flown to the ISS, they are thawed and introduced to the TCM through the syringe ports. In the Cellular Biotechnology Operations Support System-Fluid Dynamics Investigation (CBOSS-FDI) experiment, several mixing procedures are being assessed to determine which method achieves the most uniform mixing of growing cells and culture medium.

  18. Dynamic computing random access memory

    NASA Astrophysics Data System (ADS)

    Traversa, F. L.; Bonani, F.; Pershin, Y. V.; Di Ventra, M.

    2014-07-01

    The present von Neumann computing paradigm involves a significant amount of information transfer between a central processing unit and memory, with concomitant limitations in the actual execution speed. However, it has been recently argued that a different form of computation, dubbed memcomputing (Di Ventra and Pershin 2013 Nat. Phys. 9 200-2) and inspired by the operation of our brain, can resolve the intrinsic limitations of present day architectures by allowing for computing and storing of information on the same physical platform. Here we show a simple and practical realization of memcomputing that utilizes easy-to-build memcapacitive systems. We name this architecture dynamic computing random access memory (DCRAM). We show that DCRAM provides massively-parallel and polymorphic digital logic, namely it allows for different logic operations with the same architecture, by varying only the control signals. In addition, by taking into account realistic parameters, its energy expenditures can be as low as a few fJ per operation. DCRAM is fully compatible with CMOS technology, can be realized with current fabrication facilities, and therefore can really serve as an alternative to the present computing technology.

  19. Dynamic computing random access memory.

    PubMed

    Traversa, F L; Bonani, F; Pershin, Y V; Di Ventra, M

    2014-07-18

    The present von Neumann computing paradigm involves a significant amount of information transfer between a central processing unit and memory, with concomitant limitations in the actual execution speed. However, it has been recently argued that a different form of computation, dubbed memcomputing (Di Ventra and Pershin 2013 Nat. Phys. 9 200-2) and inspired by the operation of our brain, can resolve the intrinsic limitations of present day architectures by allowing for computing and storing of information on the same physical platform. Here we show a simple and practical realization of memcomputing that utilizes easy-to-build memcapacitive systems. We name this architecture dynamic computing random access memory (DCRAM). We show that DCRAM provides massively-parallel and polymorphic digital logic, namely it allows for different logic operations with the same architecture, by varying only the control signals. In addition, by taking into account realistic parameters, its energy expenditures can be as low as a few fJ per operation. DCRAM is fully compatible with CMOS technology, can be realized with current fabrication facilities, and therefore can really serve as an alternative to the present computing technology. PMID:24972387

  20. Examining the architecture of cellular computing through a comparative study with a computer.

    PubMed

    Wang, Degeng; Gribskov, Michael

    2005-06-22

    The computer and the cell both use information embedded in simple coding, the binary software code and the quadruple genomic code, respectively, to support system operations. A comparative examination of their system architecture as well as their information storage and utilization schemes is performed. On top of the code, both systems display a modular, multi-layered architecture, which, in the case of a computer, arises from human engineering efforts through a combination of hardware implementation and software abstraction. Using the computer as a reference system, a simplistic mapping of the architectural components between the two is easily detected. This comparison also reveals that a cell abolishes the software-hardware barrier through genomic encoding for the constituents of the biochemical network, a cell's "hardware" equivalent to the computer central processing unit (CPU). The information loading (gene expression) process acts as a major determinant of the encoded constituent's abundance, which, in turn, often determines the "bandwidth" of a biochemical pathway. Cellular processes are implemented in biochemical pathways in parallel manners. In a computer, on the other hand, the software provides only instructions and data for the CPU. A process represents just sequentially ordered actions by the CPU and only virtual parallelism can be implemented through CPU time-sharing. Whereas process management in a computer may simply mean job scheduling, coordinating pathway bandwidth through the gene expression machinery represents a major process management scheme in a cell. In summary, a cell can be viewed as a super-parallel computer, which computes through controlled hardware composition. While we have, at best, a very fragmented understanding of cellular operation, we have a thorough understanding of the computer throughout the engineering process. The potential utilization of this knowledge to the benefit of systems biology is discussed. PMID:16849179

  1. Dynamical theory of active cellular response to external stress.

    PubMed

    De, Rumi; Safran, Samuel A

    2008-09-01

    We present a comprehensive, theoretical treatment of the orientational response to external stress of active, contractile cells embedded in a gel-like elastic medium. The theory includes both the forces that arise from the deformation of the matrix as well as forces due to the internal regulation of the stress fibers and focal adhesions of the cell. We calculate the time-dependent response of both the magnitude and the direction of the elastic dipole that characterizes the active forces exerted by the cell, for various situations. For static or quasistatic external stress, cells orient parallel to the stress while for high frequency dynamic external stress, cells orient nearly perpendicular. Both numerical and analytical calculations of these effects are presented. In addition we predict the relaxation time for the cellular response for both slowly and rapidly varying external stresses; several characteristic scaling regimes for the relaxation time as a function of applied frequency are predicted. We also treat the case of cells for which the regulation of the stress fibers and focal adhesions is controlled by strain (instead of stress) and show that the predicted dependence of the cellular orientation on the Poisson ratio of the matrix can differentiate strain vs stress regulation of cellular response. PMID:18851081

  2. Dynamical theory of active cellular response to external stress

    NASA Astrophysics Data System (ADS)

    de, Rumi; Safran, Samuel A.

    2008-09-01

    We present a comprehensive, theoretical treatment of the orientational response to external stress of active, contractile cells embedded in a gel-like elastic medium. The theory includes both the forces that arise from the deformation of the matrix as well as forces due to the internal regulation of the stress fibers and focal adhesions of the cell. We calculate the time-dependent response of both the magnitude and the direction of the elastic dipole that characterizes the active forces exerted by the cell, for various situations. For static or quasistatic external stress, cells orient parallel to the stress while for high frequency dynamic external stress, cells orient nearly perpendicular. Both numerical and analytical calculations of these effects are presented. In addition we predict the relaxation time for the cellular response for both slowly and rapidly varying external stresses; several characteristic scaling regimes for the relaxation time as a function of applied frequency are predicted. We also treat the case of cells for which the regulation of the stress fibers and focal adhesions is controlled by strain (instead of stress) and show that the predicted dependence of the cellular orientation on the Poisson ratio of the matrix can differentiate strain vs stress regulation of cellular response.

  3. Mosquito population dynamics from cellular automata-based simulation

    NASA Astrophysics Data System (ADS)

    Syafarina, Inna; Sadikin, Rifki; Nuraini, Nuning

    2016-02-01

    In this paper we present an innovative model for simulating mosquito-vector population dynamics. The simulation consist of two stages: demography and dispersal dynamics. For demography simulation, we follow the existing model for modeling a mosquito life cycles. Moreover, we use cellular automata-based model for simulating dispersal of the vector. In simulation, each individual vector is able to move to other grid based on a random walk. Our model is also capable to represent immunity factor for each grid. We simulate the model to evaluate its correctness. Based on the simulations, we can conclude that our model is correct. However, our model need to be improved to find a realistic parameters to match real data.

  4. Predictive modeling of multicellular structure formation by using Cellular Particle Dynamics simulations

    NASA Astrophysics Data System (ADS)

    McCune, Matthew; Shafiee, Ashkan; Forgacs, Gabor; Kosztin, Ioan

    2014-03-01

    Cellular Particle Dynamics (CPD) is an effective computational method for describing and predicting the time evolution of biomechanical relaxation processes of multicellular systems. A typical example is the fusion of spheroidal bioink particles during post bioprinting structure formation. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short-range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. CPD was successfully applied to describe and predict the fusion of 3D tissue construct involving identical spherical aggregates. Here, we demonstrate that CPD can also predict tissue formation involving uneven spherical aggregates whose volumes decrease during the fusion process. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

  5. Multiparametric cytometry for exploration of complex cellular dynamics.

    PubMed

    Gondois-Rey, Françoise; Granjeaud, Samuel; Kieu, Suong Le Thi; Herrera, Diana; Hirsch, Ivan; Olive, Daniel

    2012-04-01

    The development of polychromatic cytometry has contributed to significant progress in the field of human immunology. Although numerous functional studies of rare cell populations have been performed using this technology, here we used polychromatic cytometry to explore the dynamics of complex cellular systems implicated in innate immunity. We used PBMC stimulated with live influenza virus as an experimental model. We studied the time course of activation of PBMC, which contain DC, monocytes, and NK cells, all of which are, in addition to their innate immune properties, susceptible to Flu infection. We developed 12 color panels to investigate intracellular expression of IFN-α, TNF-α, IL-12, IL-6, IFN-γ, CD107, and influenza virus nucleoprotein simultaneously in these cell populations. These panels allowed reproducible determination of activation markers induced in DC after their direct exposure to various stimulations or in NK cells by indirect DC-mediated activation within the complex cellular environment. The ability to use a low number of cells and reduced quantities of reagents permitted us to perform kinetic experiments. The power of polychromatic cytometry associated with bioinformatic tools allowed us to analyze the multiple functional data generated as dynamic clustering maps. These maps present a readily understandable view of activation events induced in different populations of PBMC. In addition, it reveals new information on the coordination of the complex pathways induced and on the cellular interactions that sustained indirect DC-mediated NK cell activation. Our work shows that polychromatic cytometry is a tool for discoveries in unexplored complex cell systems, at the crossroads of immunology and virology. © 2012 International Society for Advancement of Cytometry. PMID:22278900

  6. Computational Methods for Structural Mechanics and Dynamics

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

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

  7. Cellular dynamics of neuronal migration in the hippocampus

    PubMed Central

    Hayashi, Kanehiro; Kubo, Ken-ichiro; Kitazawa, Ayako; Nakajima, Kazunori

    2015-01-01

    A fine structure of the hippocampus is required for proper functions, and disruption of this formation by neuronal migration defects during development may play a role in some psychiatric illnesses. During hippocampal development in rodents, pyramidal neurons in the Ammon's horn are mostly generated in the ventricular zone (VZ), spent as multipolar cells just above the VZ, and then migrate radially toward the pial surface, ultimately settling into the hippocampal plate. Although this process is similar to that of neocortical projection neurons, these are not identical. In addition to numerous histological studies, the development of novel techniques gives a clear picture of the cellular dynamics of hippocampal neurons, as well as neocortical neurons. In this article, we provide an overview of the cellular mechanisms of rodent hippocampal neuronal migration including those of dentate granule cells, especially focusing on the differences of migration modes between hippocampal neurons and neocortical neurons. The unique migration mode of hippocampal pyramidal neurons might enable clonally related cells in the Ammon's horn to distribute in a horizontal fashion. PMID:25964735

  8. Motor Schema-Based Cellular Automaton Model for Pedestrian Dynamics

    NASA Astrophysics Data System (ADS)

    Weng, Wenguo; Hasemi, Yuji; Fan, Weicheng

    A new cellular automaton model for pedestrian dynamics based on motor schema is presented. Each pedestrian is treated as an intelligent mobile robot, and motor schemas including move-to-goal, avoid-away and avoid-around drive pedestrians to interact with their environment. We investigate the phenomenon of many pedestrians with different move velocities escaping from a room. The results show that the pedestrian with high velocity have predominance in competitive evacuation, if we only consider repulsion from or avoiding around other pedestrians, and interaction with each other leads to disordered evacuation, i.e., decreased evacuation efficiency. Extensions of the model using learning algorithms for controlling pedestrians, i.e., reinforcement learning, neural network and genetic algorithms, etc. are noted.

  9. Myosins and cell dynamics in cellular slime molds.

    PubMed

    Yumura, Shigehiko; Uyeda, Taro Q P

    2003-01-01

    Myosin is a mechanochemical transducer and serves as a motor for various motile activities such as cell migration, cytokinesis, maintenance of cell shape, phagocytosis, and morphogenesis. Nonmuscle myosin in vivo does not either stay static at specific subcellular regions or construct highly organized structures, such as sarcomere in skeletal muscle cells. The cellular slime mold Dictyostelium discoideum is an ideal "model organism" for the investigation of cell movement and cytokinesis. The advantages of this organism prompted researchers to carry out pioneering cell biological, biochemical, and molecular genetic studies on myosin II, which resulted in elucidation of many fundamental features of function and regulation of this most abundant molecular motor. Furthermore, recent molecular biological research has revealed that many unconventional myosins play various functions in vivo. In this article, how myosins are organized and regulated in a dynamic manner in Dictyostelium cells is reviewed and discussed. PMID:12722951

  10. Cellular Manufacturing System with Dynamic Lot Size Material Handling

    NASA Astrophysics Data System (ADS)

    Khannan, M. S. A.; Maruf, A.; Wangsaputra, R.; Sutrisno, S.; Wibawa, T.

    2016-02-01

    Material Handling take as important role in Cellular Manufacturing System (CMS) design. In several study at CMS design material handling was assumed per pieces or with constant lot size. In real industrial practice, lot size may change during rolling period to cope with demand changes. This study develops CMS Model with Dynamic Lot Size Material Handling. Integer Linear Programming is used to solve the problem. Objective function of this model is minimizing total expected cost consisting machinery depreciation cost, operating costs, inter-cell material handling cost, intra-cell material handling cost, machine relocation costs, setup costs, and production planning cost. This model determines optimum cell formation and optimum lot size. Numerical examples are elaborated in the paper to ilustrate the characterictic of the model.

  11. TissueMiner: A multiscale analysis toolkit to quantify how cellular processes create tissue dynamics.

    PubMed

    Etournay, Raphaël; Merkel, Matthias; Popović, Marko; Brandl, Holger; Dye, Natalie A; Aigouy, Benoît; Salbreux, Guillaume; Eaton, Suzanne; Jülicher, Frank

    2016-01-01

    Segmentation and tracking of cells in long-term time-lapse experiments has emerged as a powerful method to understand how tissue shape changes emerge from the complex choreography of constituent cells. However, methods to store and interrogate the large datasets produced by these experiments are not widely available. Furthermore, recently developed methods for relating tissue shape changes to cell dynamics have not yet been widely applied by biologists because of their technical complexity. We therefore developed a database format that stores cellular connectivity and geometry information of deforming epithelial tissues, and computational tools to interrogate it and perform multi-scale analysis of morphogenesis. We provide tutorials for this computational framework, called TissueMiner, and demonstrate its capabilities by comparing cell and tissue dynamics in vein and inter-vein subregions of the Drosophila pupal wing. These analyses reveal an unexpected role for convergent extension in shaping wing veins. PMID:27228153

  12. Cellular automata-based modelling and simulation of biofilm structure on multi-core computers.

    PubMed

    Skoneczny, Szymon

    2015-01-01

    The article presents a mathematical model of biofilm growth for aerobic biodegradation of a toxic carbonaceous substrate. Modelling of biofilm growth has fundamental significance in numerous processes of biotechnology and mathematical modelling of bioreactors. The process following double-substrate kinetics with substrate inhibition proceeding in a biofilm has not been modelled so far by means of cellular automata. Each process in the model proposed, i.e. diffusion of substrates, uptake of substrates, growth and decay of microorganisms and biofilm detachment, is simulated in a discrete manner. It was shown that for flat biofilm of constant thickness, the results of the presented model agree with those of a continuous model. The primary outcome of the study was to propose a mathematical model of biofilm growth; however a considerable amount of focus was also placed on the development of efficient algorithms for its solution. Two parallel algorithms were created, differing in the way computations are distributed. Computer programs were created using OpenMP Application Programming Interface for C++ programming language. Simulations of biofilm growth were performed on three high-performance computers. Speed-up coefficients of computer programs were compared. Both algorithms enabled a significant reduction of computation time. It is important, inter alia, in modelling and simulation of bioreactor dynamics. PMID:26606102

  13. Visualization of Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Gerald-Yamasaki, Michael; Hultquist, Jeff; Bryson, Steve; Kenwright, David; Lane, David; Walatka, Pamela; Clucas, Jean; Watson, Velvin; Lasinski, T. A. (Technical Monitor)

    1995-01-01

    Scientific visualization serves the dual purpose of exploration and exposition of the results of numerical simulations of fluid flow. Along with the basic visualization process which transforms source data into images, there are four additional components to a complete visualization system: Source Data Processing, User Interface and Control, Presentation, and Information Management. The requirements imposed by the desired mode of operation (i.e. real-time, interactive, or batch) and the source data have their effect on each of these visualization system components. The special requirements imposed by the wide variety and size of the source data provided by the numerical simulation of fluid flow presents an enormous challenge to the visualization system designer. We describe the visualization system components including specific visualization techniques and how the mode of operation and source data requirements effect the construction of computational fluid dynamics visualization systems.

  14. Dynamic Load Balancing for Computational Plasticity on Parallel Computers

    NASA Technical Reports Server (NTRS)

    Pramono, Eddy; Simon, Horst

    1994-01-01

    The simulation of the computational plasticity on a complex structure remains a formidable computational task, especially when a highly nonlinear, complex material model was used. It appears that the computational requirements for a such problem can only be satisfied by massively parallel architectures. In order to effectively harness the tremendous computational power provided by such architectures, it is imperative to investigate and to study the algorithmic and implementation issues pertaining to dynamic load balancing for computational plasticity on a highly parallel, distributed-memory, multiple-instruction, multiple-data computers. This paper will measure the effectiveness of the algorithms developed in handling the dynamic load balancing.

  15. Reprint of Infinity computations in cellular automaton forest-fire model

    NASA Astrophysics Data System (ADS)

    Iudin, D. I.; Sergeyev, Ya. D.; Hayakawa, M.

    2015-04-01

    Recently a number of traditional models related to the percolation theory has been considered by means of a new computational methodology that does not use Cantor's ideas and describes infinite and infinitesimal numbers in accordance with the principle 'The whole is greater than the part' (Euclid's Common Notion 5). Here we apply the new arithmetic to a cellular automaton forest-fire model which is connected with the percolation methodology and in some sense combines the dynamic and the static percolation problems and under certain conditions exhibits critical fluctuations. It is well known that there exist two versions of the model: real forest-fire model where fire catches adjacent trees in the forest in the step by step manner and simplified version with instantaneous combustion. Using new approach we observe that in both situations we deal with the same model but with different time resolution. We show that depending on the "microscope" we use the same cellular automaton forest-fire model reveals either instantaneous forest combustion or step by step firing. By means of the new approach it was also observed that as far as we choose an infinitesimal tree growing rate and infinitesimal ratio between the ignition probability and the growth probability we determine the measure or extent of the system size infinity that provides the criticality of the system dynamics. Correspondent inequalities for grosspowers are derived.

  16. Nonlinear dynamics of C-terminal tails in cellular microtubules

    NASA Astrophysics Data System (ADS)

    Sekulic, Dalibor L.; Sataric, Bogdan M.; Zdravkovic, Slobodan; Bugay, Aleksandr N.; Sataric, Miljko V.

    2016-07-01

    The mechanical and electrical properties, and information processing capabilities of microtubules are the permanent subject of interest for carrying out experiments in vitro and in silico, as well as for theoretical attempts to elucidate the underlying processes. In this paper, we developed a new model of the mechano-electrical waves elicited in the rows of very flexible C-terminal tails which decorate the outer surface of each microtubule. The fact that C-terminal tails play very diverse roles in many cellular functions, such as recruitment of motor proteins and microtubule-associated proteins, motivated us to consider their collective dynamics as the source of localized waves aimed for communication between microtubule and associated proteins. Our approach is based on the ferroelectric liquid crystal model and it leads to the effective asymmetric double-well potential which brings about the conditions for the appearance of kink-waves conducted by intrinsic electric fields embedded in microtubules. These kinks can serve as the signals for control and regulation of intracellular traffic along microtubules performed by processive motions of motor proteins, primarly from kinesin and dynein families. On the other hand, they can be precursors for initiation of dynamical instability of microtubules by recruiting the proper proteins responsible for the depolymerization process.

  17. Modeling dynamics of HIV infected cells using stochastic cellular automaton

    NASA Astrophysics Data System (ADS)

    Precharattana, Monamorn; Triampo, Wannapong

    2014-08-01

    Ever since HIV was first diagnosed in human, a great number of scientific works have been undertaken to explore the biological mechanisms involved in the infection and progression of the disease. Several cellular automata (CA) models have been introduced to gain insights into the dynamics of the disease progression but none of them has taken into account effects of certain immune cells such as the dendritic cells (DCs) and the CD8+ T lymphocytes (CD8+ T cells). In this work, we present a CA model, which incorporates effects of the HIV specific immune response focusing on the cell-mediated immunities, and investigate the interaction between the host immune response and the HIV infected cells in the lymph nodes. The aim of our work is to propose a model more realistic than the one in Precharattana et al. (2010) [10], by incorporating roles of the DCs, the CD4+ T cells, and the CD8+ T cells into the model so that it would reproduce the HIV infection dynamics during the primary phase of HIV infection.

  18. Nonlinear dynamics of C-terminal tails in cellular microtubules.

    PubMed

    Sekulic, Dalibor L; Sataric, Bogdan M; Zdravkovic, Slobodan; Bugay, Aleksandr N; Sataric, Miljko V

    2016-07-01

    The mechanical and electrical properties, and information processing capabilities of microtubules are the permanent subject of interest for carrying out experiments in vitro and in silico, as well as for theoretical attempts to elucidate the underlying processes. In this paper, we developed a new model of the mechano-electrical waves elicited in the rows of very flexible C-terminal tails which decorate the outer surface of each microtubule. The fact that C-terminal tails play very diverse roles in many cellular functions, such as recruitment of motor proteins and microtubule-associated proteins, motivated us to consider their collective dynamics as the source of localized waves aimed for communication between microtubule and associated proteins. Our approach is based on the ferroelectric liquid crystal model and it leads to the effective asymmetric double-well potential which brings about the conditions for the appearance of kink-waves conducted by intrinsic electric fields embedded in microtubules. These kinks can serve as the signals for control and regulation of intracellular traffic along microtubules performed by processive motions of motor proteins, primarly from kinesin and dynein families. On the other hand, they can be precursors for initiation of dynamical instability of microtubules by recruiting the proper proteins responsible for the depolymerization process. PMID:27475079

  19. Research on Computational Fluid Dynamics and Turbulence

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Preconditioning matrices for Chebyshev derivative operators in several space dimensions; the Jacobi matrix technique in computational fluid dynamics; and Chebyshev techniques for periodic problems are discussed.

  20. Dynamic involvement of ATG5 in cellular stress responses

    PubMed Central

    Lin, H H; Lin, S-M; Chung, Y; Vonderfecht, S; Camden, J M; Flodby, P; Borok, Z; Limesand, K H; Mizushima, N; Ann, D K

    2014-01-01

    Autophagy maintains cell and tissue homeostasis through catabolic degradation. To better delineate the in vivo function for autophagy in adaptive responses to tissue injury, we examined the impact of compromised autophagy in mouse submandibular glands (SMGs) subjected to main excretory duct ligation. Blocking outflow from exocrine glands causes glandular atrophy by increased ductal pressure. Atg5f/−;Aqp5-Cre mice with salivary acinar-specific knockout (KO) of autophagy essential gene Atg5 were generated. While duct ligation induced autophagy and the expression of inflammatory mediators, SMGs in Atg5f/−;Aqp5-Cre mice, before ligation, already expressed higher levels of proinflammatory cytokine and Cdkn1a/p21 messages. Extended ligation period resulted in the caspase-3 activation and acinar cell death, which was delayed by Atg5 knockout. Moreover, expression of a set of senescence-associated secretory phenotype (SASP) factors was elevated in the post-ligated glands. Dysregulation of cell-cycle inhibitor CDKN1A/p21 and activation of senescence-associated β-galactosidase were detected in the stressed SMG duct cells. These senescence markers peaked at day 3 after ligation and partially resolved by day 7 in post-ligated SMGs of wild-type (WT) mice, but not in KO mice. The role of autophagy-related 5 (ATG5)-dependent autophagy in regulating the tempo, duration and magnitude of cellular stress responses in vivo was corroborated by in vitro studies using MEFs lacking ATG5 or autophagy-related 7 (ATG7) and autophagy inhibitors. Collectively, our results highlight the role of ATG5 in the dynamic regulation of ligation-induced cellular senescence and apoptosis, and suggest the involvement of autophagy resolution in salivary repair. PMID:25341032

  1. Parallel Computation Of Forward Dynamics Of Manipulators

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1993-01-01

    Report presents parallel algorithms and special parallel architecture for computation of forward dynamics of robotics manipulators. Products of effort to find best method of parallel computation to achieve required computational efficiency. Significant speedup of computation anticipated as well as cost reduction.

  2. Advances in fluorescence labeling strategies for dynamic cellular imaging

    PubMed Central

    Dean, Kevin M; Palmer, Amy E

    2014-01-01

    Synergistic advances in optical physics, probe design, molecular biology, labeling techniques and computational analysis have propelled fluorescence imaging into new realms of spatiotemporal resolution and sensitivity. This review aims to discuss advances in fluorescent probes and live-cell labeling strategies, two areas that remain pivotal for future advances in imaging technology. Fluorescent protein– and bio-orthogonal–based methods for protein and RNA imaging are discussed as well as emerging bioengineering techniques that enable their expression at specific genomic loci (for example, CRISPR and TALENs). Important attributes that contribute to the success of each technique are emphasized, providing a guideline for future advances in dynamic live-cell imaging. PMID:24937069

  3. Predictive Dynamic Security Assessment through Advanced Computing

    SciTech Connect

    Huang, Zhenyu; Diao, Ruisheng; Jin, Shuangshuang; Chen, Yousu

    2014-11-30

    Abstract— Traditional dynamic security assessment is limited by several factors and thus falls short in providing real-time information to be predictive for power system operation. These factors include the steady-state assumption of current operating points, static transfer limits, and low computational speed. This addresses these factors and frames predictive dynamic security assessment. The primary objective of predictive dynamic security assessment is to enhance the functionality and computational process of dynamic security assessment through the use of high-speed phasor measurements and the application of advanced computing technologies for faster-than-real-time simulation. This paper presents algorithms, computing platforms, and simulation frameworks that constitute the predictive dynamic security assessment capability. Examples of phasor application and fast computation for dynamic security assessment are included to demonstrate the feasibility and speed enhancement for real-time applications.

  4. Dance Dynamics: Computers and Dance.

    ERIC Educational Resources Information Center

    Gray, Judith A., Ed.; And Others

    1983-01-01

    Five articles discuss the use of computers in dance and dance education. They describe: (1) a computerized behavioral profile of a dance teacher; (2) computer-based dance notation; (3) elementary school computer-assisted dance instruction; (4) quantified analysis of dance criticism; and (5) computerized simulation of human body movements in a…

  5. Vectorization of computer programs with applications to computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Gentzsch, W.

    Techniques for adapting serial computer programs to the architecture of modern vector computers are presented and illustrated with examples, mainly from the field of computational fluid dynamics. The limitations of conventional computers are reviewed; the vector computers CRAY-1S and CDC-CYBER 205 are characterized; and chapters are devoted to vectorization of FORTRAN programs, sample-program vectorization on five different vector and parallel-architecture computers, restructuring of basic linear-algebra algorithms, iterative methods, vectorization of simple numerical algorithms, and fluid-dynamics vectorization on CRAY-1 (including an implicit beam and warming scheme, an implicit finite-difference method for laminar boundary-layer equations, the Galerkin method and a direct Monte Carlo simulation). Diagrams, charts, tables, and photographs are provided.

  6. Cellular Automata Models Applied to the Study of Landslide Dynamics

    NASA Astrophysics Data System (ADS)

    Liucci, Luisa; Melelli, Laura; Suteanu, Cristian

    2015-04-01

    Landslides are caused by complex processes controlled by the interaction of numerous factors. Increasing efforts are being made to understand the spatial and temporal evolution of this phenomenon, and the use of remote sensing data is making significant contributions in improving forecast. This paper studies landslides seen as complex dynamic systems, in order to investigate their potential Self Organized Critical (SOC) behavior, and in particular, scale-invariant aspects of processes governing the spatial development of landslides and their temporal evolution, as well as the mechanisms involved in driving the system and keeping it in a critical state. For this purpose, we build Cellular Automata Models, which have been shown to be capable of reproducing the complexity of real world features using a small number of variables and simple rules, thus allowing for the reduction of the number of input parameters commonly used in the study of processes governing landslide evolution, such as those linked to the geomechanical properties of soils. This type of models has already been successfully applied in studying the dynamics of other natural hazards, such as earthquakes and forest fires. The basic structure of the model is composed of three modules: (i) An initialization module, which defines the topographic surface at time zero as a grid of square cells, each described by an altitude value; the surface is acquired from real Digital Elevation Models (DEMs). (ii) A transition function, which defines the rules used by the model to update the state of the system at each iteration. The rules use a stability criterion based on the slope angle and introduce a variable describing the weakening of the material over time, caused for example by rainfall. The weakening brings some sites of the system out of equilibrium thus causing the triggering of landslides, which propagate within the system through local interactions between neighboring cells. By using different rates of

  7. A Computational Model of Cellular Response to Modulated Radiation Fields

    SciTech Connect

    McMahon, Stephen J.; Butterworth, Karl T.; McGarry, Conor K.; Trainor, Colman; O'Sullivan, Joe M.; Hounsell, Alan R.; Prise, Kevin M.

    2012-09-01

    Purpose: To develop a model to describe the response of cell populations to spatially modulated radiation exposures of relevance to advanced radiotherapies. Materials and Methods: A Monte Carlo model of cellular radiation response was developed. This model incorporated damage from both direct radiation and intercellular communication including bystander signaling. The predictions of this model were compared to previously measured survival curves for a normal human fibroblast line (AGO1522) and prostate tumor cells (DU145) exposed to spatially modulated fields. Results: The model was found to be able to accurately reproduce cell survival both in populations which were directly exposed to radiation and those which were outside the primary treatment field. The model predicts that the bystander effect makes a significant contribution to cell killing even in uniformly irradiated cells. The bystander effect contribution varies strongly with dose, falling from a high of 80% at low doses to 25% and 50% at 4 Gy for AGO1522 and DU145 cells, respectively. This was verified using the inducible nitric oxide synthase inhibitor aminoguanidine to inhibit the bystander effect in cells exposed to different doses, which showed significantly larger reductions in cell killing at lower doses. Conclusions: The model presented in this work accurately reproduces cell survival following modulated radiation exposures, both in and out of the primary treatment field, by incorporating a bystander component. In addition, the model suggests that the bystander effect is responsible for a significant portion of cell killing in uniformly irradiated cells, 50% and 70% at doses of 2 Gy in AGO1522 and DU145 cells, respectively. This description is a significant departure from accepted radiobiological models and may have a significant impact on optimization of treatment planning approaches if proven to be applicable in vivo.

  8. Role of cellular adhesions in tissue dynamics spectroscopy

    NASA Astrophysics Data System (ADS)

    Merrill, Daniel A.; An, Ran; Turek, John; Nolte, David

    2014-02-01

    Cellular adhesions play a critical role in cell behavior, and modified expression of cellular adhesion compounds has been linked to various cancers. We tested the role of cellular adhesions in drug response by studying three cellular culture models: three-dimensional tumor spheroids with well-developed cellular adhesions and extracellular matrix (ECM), dense three-dimensional cell pellets with moderate numbers of adhesions, and dilute three-dimensional cell suspensions in agarose having few adhesions. Our technique for measuring the drug response for the spheroids and cell pellets was biodynamic imaging (BDI), and for the suspensions was quasi-elastic light scattering (QELS). We tested several cytoskeletal chemotherapeutic drugs (nocodazole, cytochalasin-D, paclitaxel, and colchicine) on three cancer cell lines chosen from human colorectal adenocarcinoma (HT-29), human pancreatic carcinoma (MIA PaCa-2), and rat osteosarcoma (UMR-106) to exhibit differences in adhesion strength. Comparing tumor spheroid behavior to that of cell suspensions showed shifts in the spectral motion of the cancer tissues that match predictions based on different degrees of cell-cell contacts. The HT-29 cell line, which has the strongest adhesions in the spheroid model, exhibits anomalous behavior in some cases. These results highlight the importance of using three-dimensional tissue models in drug screening with cellular adhesions being a contributory factor in phenotypic differences between the drug responses of tissue and cells.

  9. Fluid dynamics computer programs for NERVA turbopump

    NASA Technical Reports Server (NTRS)

    Brunner, J. J.

    1972-01-01

    During the design of the NERVA turbopump, numerous computer programs were developed for the analyses of fluid dynamic problems within the machine. Program descriptions, example cases, users instructions, and listings for the majority of these programs are presented.

  10. A Computational Fluid Dynamics Algorithm on a Massively Parallel Computer

    NASA Technical Reports Server (NTRS)

    Jespersen, Dennis C.; Levit, Creon

    1989-01-01

    The discipline of computational fluid dynamics is demanding ever-increasing computational power to deal with complex fluid flow problems. We investigate the performance of a finite-difference computational fluid dynamics algorithm on a massively parallel computer, the Connection Machine. Of special interest is an implicit time-stepping algorithm; to obtain maximum performance from the Connection Machine, it is necessary to use a nonstandard algorithm to solve the linear systems that arise in the implicit algorithm. We find that the Connection Machine ran achieve very high computation rates on both explicit and implicit algorithms. The performance of the Connection Machine puts it in the same class as today's most powerful conventional supercomputers.

  11. Numerically evaluated functional equivalence between chaotic dynamics in neural networks and cellular automata under totalistic rules.

    PubMed

    Takada, Ryu; Munetaka, Daigo; Kobayashi, Shoji; Suemitsu, Yoshikazu; Nara, Shigetoshi

    2007-09-01

    Chaotic dynamics in a recurrent neural network model and in two-dimensional cellular automata, where both have finite but large degrees of freedom, are investigated from the viewpoint of harnessing chaos and are applied to motion control to indicate that both have potential capabilities for complex function control by simple rule(s). An important point is that chaotic dynamics generated in these two systems give us autonomous complex pattern dynamics itinerating through intermediate state points between embedded patterns (attractors) in high-dimensional state space. An application of these chaotic dynamics to complex controlling is proposed based on an idea that with the use of simple adaptive switching between a weakly chaotic regime and a strongly chaotic regime, complex problems can be solved. As an actual example, a two-dimensional maze, where it should be noted that the spatial structure of the maze is one of typical ill-posed problems, is solved with the use of chaos in both systems. Our computer simulations show that the success rate over 300 trials is much better, at least, than that of a random number generator. Our functional simulations indicate that both systems are almost equivalent from the viewpoint of functional aspects based on our idea, harnessing of chaos. PMID:19003512

  12. COLD-SAT Dynamic Model Computer Code

    NASA Technical Reports Server (NTRS)

    Bollenbacher, G.; Adams, N. S.

    1995-01-01

    COLD-SAT Dynamic Model (CSDM) computer code implements six-degree-of-freedom, rigid-body mathematical model for simulation of spacecraft in orbit around Earth. Investigates flow dynamics and thermodynamics of subcritical cryogenic fluids in microgravity. Consists of three parts: translation model, rotation model, and slosh model. Written in FORTRAN 77.

  13. Types or States? Cellular Dynamics and Regenerative Potential.

    PubMed

    Adler, Carolyn E; Sánchez Alvarado, Alejandro

    2015-11-01

    Many of our organs can maintain and repair themselves during homeostasis and injury, as a result of the action of tissue-specific, multipotent stem cells. However, recent evidence from mammalian systems suggests that injury stimulates dramatic plasticity, or transient changes in cell potential, in both stem cells and more differentiated cells. Planarian flatworms possess abundant stem cells, making them an exceptional model for understanding the cellular behavior underlying homeostasis and regeneration. Recent discoveries of cell lineages and regeneration-specific events provide an initial framework for unraveling the complex cellular contributions to regeneration. In this review, we discuss the concept of cellular plasticity in the context of planarian regeneration, and consider the possibility that pluripotency may be a transient, probabilistic state exhibited by stem cells. PMID:26437587

  14. A SAND approach based on cellular computation models for analysis and optimization

    NASA Astrophysics Data System (ADS)

    Canyurt, O. E.; Hajela, P.

    2007-06-01

    Genetic algorithms (GAs) have received considerable recent attention in problems of design optimization. The mechanics of population-based search in GAs are highly amenable to implementation on parallel computers. The present article describes a fine-grained model of parallel GA implementation that derives from a cellular-automata-like computation. The central idea behind the cellular genetic algorithm (CGA) approach is to treat the GA population as being distributed over a 2-D grid of cells, with each member of the population occupying a particular cell and defining the state of that cell. Evolution of the cell state is tantamount to updating the design information contained in a cell site and, as in cellular automata computations, takes place on the basis of local interaction with neighbouring cells. A special focus of the article is in the use of cellular automata (CA)-based models for structural analysis in conjunction with the CGA approach to optimization. In such an approach, the analysis and optimization are evolved simultaneously in a unified cellular computational framework. The article describes the implementation of this approach and examines its efficiency in the context of representative structural optimization problems.

  15. Fast Parallel Computation Of Manipulator Inverse Dynamics

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1991-01-01

    Method for fast parallel computation of inverse dynamics problem, essential for real-time dynamic control and simulation of robot manipulators, undergoing development. Enables exploitation of high degree of parallelism and, achievement of significant computational efficiency, while minimizing various communication and synchronization overheads as well as complexity of required computer architecture. Universal real-time robotic controller and simulator (URRCS) consists of internal host processor and several SIMD processors with ring topology. Architecture modular and expandable: more SIMD processors added to match size of problem. Operate asynchronously and in MIMD fashion.

  16. TissueMiner: A multiscale analysis toolkit to quantify how cellular processes create tissue dynamics

    PubMed Central

    Etournay, Raphaël; Merkel, Matthias; Popović, Marko; Brandl, Holger; Dye, Natalie A; Aigouy, Benoît; Salbreux, Guillaume; Eaton, Suzanne; Jülicher, Frank

    2016-01-01

    Segmentation and tracking of cells in long-term time-lapse experiments has emerged as a powerful method to understand how tissue shape changes emerge from the complex choreography of constituent cells. However, methods to store and interrogate the large datasets produced by these experiments are not widely available. Furthermore, recently developed methods for relating tissue shape changes to cell dynamics have not yet been widely applied by biologists because of their technical complexity. We therefore developed a database format that stores cellular connectivity and geometry information of deforming epithelial tissues, and computational tools to interrogate it and perform multi-scale analysis of morphogenesis. We provide tutorials for this computational framework, called TissueMiner, and demonstrate its capabilities by comparing cell and tissue dynamics in vein and inter-vein subregions of the Drosophila pupal wing. These analyses reveal an unexpected role for convergent extension in shaping wing veins. DOI: http://dx.doi.org/10.7554/eLife.14334.001 PMID:27228153

  17. Computational Physics and Evolutionary Dynamics

    NASA Astrophysics Data System (ADS)

    Fontana, Walter

    2000-03-01

    One aspect of computational physics deals with the characterization of statistical regularities in materials. Computational physics meets biology when these materials can evolve. RNA molecules are a case in point. The folding of RNA sequences into secondary structures (shapes) inspires a simple biophysically grounded genotype-phenotype map that can be explored computationally and in the laboratory. We have identified some statistical regularities of this map and begin to understand their evolutionary consequences. (1) ``typical shapes'': Only a small subset of shapes realized by the RNA folding map is typical, in the sense of containing shapes that are realized significantly more often than others. Consequence: evolutionary histories mostly involve typical shapes, and thus exhibit generic properties. (2) ``neutral networks'': Sequences folding into the same shape are mutationally connected into a network that reaches across sequence space. Consequence: Evolutionary transitions between shapes reflect the fraction of boundary shared by the corresponding neutral networks in sequence space. The notion of a (dis)continuous transition can be made rigorous. (3) ``shape space covering'': Given a random sequence, a modest number of mutations suffices to reach a sequence realizing any typical shape. Consequence: The effective search space for evolutionary optimization is greatly reduced, and adaptive success is less dependent on initial conditions. (4) ``plasticity mirrors variability'': The repertoire of low energy shapes of a sequence is an indicator of how much and in which ways its energetically optimal shape can be altered by a single point mutation. Consequence: (i) Thermodynamic shape stability and mutational robustness are intimately linked. (ii) When natural selection favors the increase of stability, extreme mutational robustness -- to the point of an evolutionary dead-end -- is produced as a side effect. (iii) The hallmark of robust shapes is modularity.

  18. Computational fluid dynamics - The coming revolution

    NASA Technical Reports Server (NTRS)

    Graves, R. A., Jr.

    1982-01-01

    The development of aerodynamic theory is traced from the days of Aristotle to the present, with the next stage in computational fluid dynamics dependent on superspeed computers for flow calculations. Additional attention is given to the history of numerical methods inherent in writing computer codes applicable to viscous and inviscid analyses for complex configurations. The advent of the superconducting Josephson junction is noted to place configurational demands on computer design to avoid limitations imposed by the speed of light, and a Japanese projection of a computer capable of several hundred billion operations/sec is mentioned. The NASA Numerical Aerodynamic Simulator is described, showing capabilities of a billion operations/sec with a memory of 240 million words using existing technology. Near-term advances in fluid dynamics are discussed.

  19. Single neuron dynamics and computation.

    PubMed

    Brunel, Nicolas; Hakim, Vincent; Richardson, Magnus J E

    2014-04-01

    At the single neuron level, information processing involves the transformation of input spike trains into an appropriate output spike train. Building upon the classical view of a neuron as a threshold device, models have been developed in recent years that take into account the diverse electrophysiological make-up of neurons and accurately describe their input-output relations. Here, we review these recent advances and survey the computational roles that they have uncovered for various electrophysiological properties, for dendritic arbor anatomy as well as for short-term synaptic plasticity. PMID:24492069

  20. Three-Dimensional Computational Fluid Dynamics

    SciTech Connect

    Haworth, D.C.; O'Rourke, P.J.; Ranganathan, R.

    1998-09-01

    Computational fluid dynamics (CFD) is one discipline falling under the broad heading of computer-aided engineering (CAE). CAE, together with computer-aided design (CAD) and computer-aided manufacturing (CAM), comprise a mathematical-based approach to engineering product and process design, analysis and fabrication. In this overview of CFD for the design engineer, our purposes are three-fold: (1) to define the scope of CFD and motivate its utility for engineering, (2) to provide a basic technical foundation for CFD, and (3) to convey how CFD is incorporated into engineering product and process design.

  1. Kinetic Monte Carlo and cellular particle dynamics simulations of multicellular systems

    NASA Astrophysics Data System (ADS)

    Flenner, Elijah; Janosi, Lorant; Barz, Bogdan; Neagu, Adrian; Forgacs, Gabor; Kosztin, Ioan

    2012-03-01

    Computer modeling of multicellular systems has been a valuable tool for interpreting and guiding in vitro experiments relevant to embryonic morphogenesis, tumor growth, angiogenesis and, lately, structure formation following the printing of cell aggregates as bioink particles. Here we formulate two computer simulation methods: (1) a kinetic Monte Carlo (KMC) and (2) a cellular particle dynamics (CPD) method, which are capable of describing and predicting the shape evolution in time of three-dimensional multicellular systems during their biomechanical relaxation. Our work is motivated by the need of developing quantitative methods for optimizing postprinting structure formation in bioprinting-assisted tissue engineering. The KMC and CPD model parameters are determined and calibrated by using an original computational-theoretical-experimental framework applied to the fusion of two spherical cell aggregates. The two methods are used to predict the (1) formation of a toroidal structure through fusion of spherical aggregates and (2) cell sorting within an aggregate formed by two types of cells with different adhesivities.

  2. Adiponectin fine-tuning of liver regeneration dynamics revealed through cellular network modelling.

    PubMed

    Correnti, Jason M; Cook, Daniel; Aksamitiene, Edita; Swarup, Aditi; Ogunnaike, Babatunde; Vadigepalli, Rajanikanth; Hoek, Jan B

    2015-01-15

    Following partial hepatectomy, the liver initiates a regenerative programme involving hepatocyte priming and replication driven by the coordinated actions of cytokine and growth factors. We investigated the mechanisms underlying adiponectin's (Adn) regulation of liver regeneration through modulation of these mediators. Adn(-/-) mice showed delayed onset of hepatocyte replication, but accelerated cell cycle progression relative to wild-type mice, suggesting Adn has multiple effects fine-tuning the kinetics of liver regeneration. We developed a computational model describing the molecular and physiological kinetics of liver regeneration in Adn(-/-) mice. We employed this computational model to evaluate the underlying regulatory mechanisms. Our analysis predicted that Adn is required for an efficient early cytokine response to partial hepatectomy, but is inhibitory to later growth factor actions. Consistent with this prediction, Adn knockout reduced hepatocyte responses to interleukin-6 during the priming phase, but enhanced growth factor levels through peak hepatocyte replication. By contrast, supraphysiological concentrations of Adn resulting from rosiglitazone treatment suppressed regeneration by reducing growth factor levels during S phase, consistent with computational predictions. Together, these results revealed that Adn fine-tunes the progression of liver regeneration through dynamically modulating molecular mediator networks and cellular interactions within the liver. PMID:25630259

  3. Adiponectin fine-tuning of liver regeneration dynamics revealed through cellular network modelling

    PubMed Central

    Correnti, Jason M; Cook, Daniel; Aksamitiene, Edita; Swarup, Aditi; Ogunnaike, Babatunde; Vadigepalli, Rajanikanth; Hoek, Jan B

    2015-01-01

    Following partial hepatectomy, the liver initiates a regenerative programme involving hepatocyte priming and replication driven by the coordinated actions of cytokine and growth factors. We investigated the mechanisms underlying adiponectin's (Adn) regulation of liver regeneration through modulation of these mediators. Adn–/– mice showed delayed onset of hepatocyte replication, but accelerated cell cycle progression relative to wild-type mice, suggesting Adn has multiple effects fine-tuning the kinetics of liver regeneration. We developed a computational model describing the molecular and physiological kinetics of liver regeneration in Adn–/– mice. We employed this computational model to evaluate the underlying regulatory mechanisms. Our analysis predicted that Adn is required for an efficient early cytokine response to partial hepatectomy, but is inhibitory to later growth factor actions. Consistent with this prediction, Adn knockout reduced hepatocyte responses to interleukin-6 during the priming phase, but enhanced growth factor levels through peak hepatocyte replication. By contrast, supraphysiological concentrations of Adn resulting from rosiglitazone treatment suppressed regeneration by reducing growth factor levels during S phase, consistent with computational predictions. Together, these results revealed that Adn fine-tunes the progression of liver regeneration through dynamically modulating molecular mediator networks and cellular interactions within the liver. PMID:25630259

  4. Localization microscopy: mapping cellular dynamics with single molecules.

    PubMed

    Nelson, A J; Hess, S T

    2014-04-01

    Resolution describes the smallest details within a sample that can be recovered by a microscope lens system. For optical microscopes detecting visible light, diffraction limits the resolution to ∼200-250 nm. In contrast, localization measures the position of an isolated object using its image. Single fluorescent molecules can be localized with an uncertainty of a few tens of nanometres, and in some cases less than one nanometre. Superresolution fluorescence localization microscopy (SRFLM) images and localizes fluorescent molecules in a sample. By controlling the visibility of the fluorescent molecules with light, it is possible to cause a sparse subset of the tags to fluoresce and be spatially separated from each other. A movie is acquired with a camera, capturing images of many sets of visible fluorescent tags over a period of time. The movie is then analysed by a computer whereby all of the single molecules are independently measured, and their positions are recorded. When the coordinates of a sufficient number of molecules are collected, an image can be rendered by plotting the coordinates of the localized molecules. The spatial resolution of these rendered images can be better than 20 nm, roughly an order of magnitude better than the diffraction limited resolution. The invention of SRFLM has led to an explosion of related techniques. Through the use of specialized optics, the fluorescent signal can be split into multiple detection channels. These channels can capture additional information such as colour (emission wavelength), orientation and three-dimensional position of the detected molecules. Measurement of the colour of the detected fluorescence can allow researchers to distinguish multiple types of fluorescent tags and to study the interaction between multiple molecules of interest. Three-dimensional imaging and determination of molecular orientations offer insight into structural organization of the sample. SRFLM is compatible with living samples and

  5. Dynamic cellular uptake of mixed-monolayer protected nanoparticles.

    PubMed

    Carney, Randy P; Carney, Tamara M; Mueller, Marie; Stellacci, Francesco

    2012-12-01

    Nanoparticles (NPs) are gaining increasing attention for potential application in medicine; consequently, studying their interaction with cells is of central importance. We found that both ligand arrangement and composition on gold nanoparticles play a crucial role in their cellular internalization. In our previous investigation, we showed that 66-34OT nanoparticles coated with stripe-like domains of hydrophobic (octanethiol, OT, 34%) and hydrophilic (11-mercaptoundecane sulfonate, MUS, 66%) ligands permeated through the cellular lipid bilayer via passive diffusion, in addition to endo-/pino-cytosis. Here, we show an analysis of NP internalization by DC2.4, 3T3, and HeLa cells at two temperatures and multiple time points. We study four NPs that differ in their surface structures and ligand compositions and report on their cellular internalization by intracellular fluorescence quantification. Using confocal laser scanning microscopy we have found that all three cell types internalize the 66-34OT NPs more than particles coated only with MUS, or particles coated with a very similar coating but lacking any detectable ligand shell structure, or 'striped' particles but with a different composition (34-66OT) at multiple data points. PMID:22589060

  6. Embedding reach-scale fluvial dynamics within the CAESAR cellular automaton landscape evolution model

    NASA Astrophysics Data System (ADS)

    Van De Wiel, Marco J.; Coulthard, Tom J.; Macklin, Mark G.; Lewin, John

    2007-10-01

    We introduce a new computational model designed to simulate and investigate reach-scale alluvial dynamics within a landscape evolution model. The model is based on the cellular automaton concept, whereby the continued iteration of a series of local process 'rules' governs the behaviour of the entire system. The model is a modified version of the CAESAR landscape evolution model, which applies a suite of physically based rules to simulate the entrainment, transport and deposition of sediments. The CAESAR model has been altered to improve the representation of hydraulic and geomorphic processes in an alluvial environment. In-channel and overbank flow, sediment entrainment and deposition, suspended load and bed load transport, lateral erosion and bank failure have all been represented as local cellular automaton rules. Although these rules are relatively simple and straightforward, their combined and repeatedly iterated effect is such that complex, non-linear geomorphological response can be simulated within the model. Examples of such larger-scale, emergent responses include channel incision and aggradation, terrace formation, channel migration and river meandering, formation of meander cutoffs, and transitions between braided and single-thread channel patterns. In the current study, the model is illustrated on a reach of the River Teifi, near Lampeter, Wales, UK.

  7. Computer simulation of microstructural dynamics

    SciTech Connect

    Grest, G.S.; Anderson, M.P.; Srolovitz, D.J.

    1985-01-01

    Since many of the physical properties of materials are determined by their microstructure, it is important to be able to predict and control microstructural development. A number of approaches have been taken to study this problem, but they assume that the grains can be described as spherical or hexagonal and that growth occurs in an average environment. We have developed a new technique to bridge the gap between the atomistic interactions and the macroscopic scale by discretizing the continuum system such that the microstructure retains its topological connectedness, yet is amenable to computer simulations. Using this technique, we have studied grain growth in polycrystalline aggregates. The temporal evolution and grain morphology of our model are in excellent agreement with experimental results for metals and ceramics.

  8. A cellular automata model of Ebola virus dynamics

    NASA Astrophysics Data System (ADS)

    Burkhead, Emily; Hawkins, Jane

    2015-11-01

    We construct a stochastic cellular automaton (SCA) model for the spread of the Ebola virus (EBOV). We make substantial modifications to an existing SCA model used for HIV, introduced by others and studied by the authors. We give a rigorous analysis of the similarities between models due to the spread of virus and the typical immune response to it, and the differences which reflect the drastically different timing of the course of EBOV. We demonstrate output from the model and compare it with clinical data.

  9. Computational fluid dynamics - A personal view

    NASA Technical Reports Server (NTRS)

    Hussaini, M. Y.

    1989-01-01

    This paper provides a personal view of computational fluid dynamics. The main theme is divided into two categories - one dealing with algorithms and engineering applications and the other with scientific investigations. The former category may be termed computational aerodynamics, with the objective of providing reliable aerodynamic or engineering predictions. The latter category is essentially basic research, where the algorithmic tools are used to unravel and elucidate fluid-dynamic phenomena hard to obtain in a laboratory. A critique of the numerical solution techniques for both compressible and incompressible flows is included. The discussion on scientific investigations deals in particular with transition and turbulence.

  10. Traffic Dynamics of Computer Networks

    NASA Astrophysics Data System (ADS)

    Fekete, Attila

    2008-10-01

    Two important aspects of the Internet, namely the properties of its topology and the characteristics of its data traffic, have attracted growing attention of the physics community. My thesis has considered problems of both aspects. First I studied the stochastic behavior of TCP, the primary algorithm governing traffic in the current Internet, in an elementary network scenario consisting of a standalone infinite-sized buffer and an access link. The effect of the fast recovery and fast retransmission (FR/FR) algorithms is also considered. I showed that my model can be extended further to involve the effect of link propagation delay, characteristic of WAN. I continued my thesis with the investigation of finite-sized semi-bottleneck buffers, where packets can be dropped not only at the link, but also at the buffer. I demonstrated that the behavior of the system depends only on a certain combination of the parameters. Moreover, an analytic formula was derived that gives the ratio of packet loss rate at the buffer to the total packet loss rate. This formula makes it possible to treat buffer-losses as if they were link-losses. Finally, I studied computer networks from a structural perspective. I demonstrated through fluid simulations that the distribution of resources, specifically the link bandwidth, has a serious impact on the global performance of the network. Then I analyzed the distribution of edge betweenness in a growing scale-free tree under the condition that a local property, the in-degree of the "younger" node of an arbitrary edge, is known in order to find an optimum distribution of link capacity. The derived formula is exact even for finite-sized networks. I also calculated the conditional expectation of edge betweenness, rescaled for infinite networks.

  11. Fast Parallel Computation Of Multibody Dynamics

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Kwan, Gregory L.; Bagherzadeh, Nader

    1996-01-01

    Constraint-force algorithm fast, efficient, parallel-computation algorithm for solving forward dynamics problem of multibody system like robot arm or vehicle. Solves problem in minimum time proportional to log(N) by use of optimal number of processors proportional to N, where N is number of dynamical degrees of freedom: in this sense, constraint-force algorithm both time-optimal and processor-optimal parallel-processing algorithm.

  12. Quantifying cellular interaction dynamics in 3-D fluorescence microscopy data

    PubMed Central

    Klauschen, Frederick; Ishii, Masaru; Qi, Hai; Bajénoff, Marc; Egen, Jackson G.; Germain, Ronald N.; Meier-Schellersheim, Martin

    2012-01-01

    The wealth of information available from advanced fluorescence imaging techniques used to analyze biological processes with high spatial and temporal resolution calls for high-throughput image analysis methods. Here, we describe a fully automated approach to analyzing cellular interaction behavior in 3-D fluorescence microscopy images. As example application we present the analysis of drug-induced and S1P1-knock-out-related changes in bone-osteoclast interactions. Moreover, we apply our approach to images showing the spatial association of dendritic cells with the fibroblastic reticular cell network within lymph nodes and to microscopy data about T-B lymphocyte synapse formation. Such analyses that yield important information about the molecular mechanisms determining cellular interaction behavior would be very difficult to perform with approaches that rely on manual/semi-automated analyses. This protocol integrates adaptive threshold segmentation, object detection, adaptive color channel merging and neighborhood analysis and permits rapid, standardized, quantitative analysis and comparison of the relevant features in large data sets. PMID:19696749

  13. Use of computer and cellular phone technology by older rural adults.

    PubMed

    O'Brien, Tara Renee; Treiber, Frank; Jenkins, Carolyn; Mercier, Angela

    2014-08-01

    The objective of this study was to explore the use of computer and cellular phone technology among older adults living in the rural Appalachian region of North Carolina. A 21-item questionnaire on access to and use of computer and cellular phone technology was administered to 43 older adults, using dichotomous and frequency-rated questions. The sample was recruited from two rural senior centers in the Appalachian region of North Carolina. Forty percent of the participants earned $20 000 or less annually. The majority owned a cellular phone (79.9%), and nearly half had a desktop computer (44.2%). High-speed Internet coverage was the most frequent type (42%) of in-home coverage. This study provides insights into the needs and challenges of older rural Appalachians with regard to technology. Computer technology may be more accessible and have fewer barriers by older adults than other forms of technology. Future research should explore the levels of computer literacy of older adults. PMID:24949713

  14. Statistical analysis of nanoparticle dosing in a dynamic cellular system

    NASA Astrophysics Data System (ADS)

    Summers, Huw D.; Rees, Paul; Holton, Mark D.; Rowan Brown, M.; Chappell, Sally C.; Smith, Paul J.; Errington, Rachel J.

    2011-03-01

    The delivery of nanoparticles into cells is important in therapeutic applications and in nanotoxicology. Nanoparticles are generally targeted to receptors on the surfaces of cells and internalized into endosomes by endocytosis, but the kinetics of the process and the way in which cell division redistributes the particles remain unclear. Here we show that the chance of success or failure of nanoparticle uptake and inheritance is random. Statistical analysis of nanoparticle-loaded endosomes indicates that particle capture is described by an over-dispersed Poisson probability distribution that is consistent with heterogeneous adsorption and internalization. Partitioning of nanoparticles in cell division is random and asymmetric, following a binomial distribution with mean probability of 0.52-0.72. These results show that cellular targeting of nanoparticles is inherently imprecise due to the randomness of nature at the molecular scale, and the statistical framework offers a way to predict nanoparticle dosage for therapy and for the study of nanotoxins.

  15. Dynamics of HIV infection on 2D cellular automata

    NASA Astrophysics Data System (ADS)

    Benyoussef, A.; HafidAllah, N. El; ElKenz, A.; Ez-Zahraouy, H.; Loulidi, M.

    2003-05-01

    We use a cellular automata approach to describe the interactions of the immune system with the human immunodeficiency virus (HIV). We study the evolution of HIV infection, particularly in the clinical latency period. The results we have obtained show the existence of four different behaviours in the plane of death rate of virus-death rate of infected T cell. These regions meet at a critical point, where the virus density and the infected T cell density remain invariant during the evolution of disease. We have introduced two kinds of treatments, the protease inhibitors and the RT inhibitors, in order to study their effects on the evolution of HIV infection. These treatments are powerful in decreasing the density of the virus in the blood and the delay of the AIDS onset.

  16. Phenomenological study of a cellular material behaviour under dynamic loadings

    NASA Astrophysics Data System (ADS)

    Bouix, R.; Viot, Ph.; Lataillade, J.-L.

    2006-08-01

    Polypropylene foams are cellular materials, which are often use to fill structures subjected to crash or violent impacts. Therefore, it is necessary to know and to characterise in experiments their mechanical behaviour in compression at high strain rates. So, several apparatus have been used in order to highlight the influence of strain rate, material density and also temperature. A split Hopkinson Pressure Bar has been used for impact tests, a fly wheel to test theses materials at medium strain rate and an electro-mechanical testing machine associated to a climatic chamber for temperature tests. Then, a rheological model has been used in order to describe the material behaviour. The mechanical response to compression of these foams presents three typical domains: a linear elastic step, a wide collapse plateau stress, which leads to a densification, which are related to a standard rheological model.

  17. Statistical analysis of nanoparticle dosing in a dynamic cellular system.

    PubMed

    Summers, Huw D; Rees, Paul; Holton, Mark D; Brown, M Rowan; Chappell, Sally C; Smith, Paul J; Errington, Rachel J

    2011-03-01

    The delivery of nanoparticles into cells is important in therapeutic applications and in nanotoxicology. Nanoparticles are generally targeted to receptors on the surfaces of cells and internalized into endosomes by endocytosis, but the kinetics of the process and the way in which cell division redistributes the particles remain unclear. Here we show that the chance of success or failure of nanoparticle uptake and inheritance is random. Statistical analysis of nanoparticle-loaded endosomes indicates that particle capture is described by an over-dispersed Poisson probability distribution that is consistent with heterogeneous adsorption and internalization. Partitioning of nanoparticles in cell division is random and asymmetric, following a binomial distribution with mean probability of 0.52-0.72. These results show that cellular targeting of nanoparticles is inherently imprecise due to the randomness of nature at the molecular scale, and the statistical framework offers a way to predict nanoparticle dosage for therapy and for the study of nanotoxins. PMID:21258333

  18. Visualization of unsteady computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Haimes, Robert

    1994-01-01

    A brief summary of the computer environment used for calculating three dimensional unsteady Computational Fluid Dynamic (CFD) results is presented. This environment requires a super computer as well as massively parallel processors (MPP's) and clusters of workstations acting as a single MPP (by concurrently working on the same task) provide the required computational bandwidth for CFD calculations of transient problems. The cluster of reduced instruction set computers (RISC) is a recent advent based on the low cost and high performance that workstation vendors provide. The cluster, with the proper software can act as a multiple instruction/multiple data (MIMD) machine. A new set of software tools is being designed specifically to address visualizing 3D unsteady CFD results in these environments. Three user's manuals for the parallel version of Visual3, pV3, revision 1.00 make up the bulk of this report.

  19. Graphics supercomputer for computational fluid dynamics research

    NASA Astrophysics Data System (ADS)

    Liaw, Goang S.

    1994-11-01

    The objective of this project is to purchase a state-of-the-art graphics supercomputer to improve the Computational Fluid Dynamics (CFD) research capability at Alabama A & M University (AAMU) and to support the Air Force research projects. A cutting-edge graphics supercomputer system, Onyx VTX, from Silicon Graphics Computer Systems (SGI), was purchased and installed. Other equipment including a desktop personal computer, PC-486 DX2 with a built-in 10-BaseT Ethernet card, a 10-BaseT hub, an Apple Laser Printer Select 360, and a notebook computer from Zenith were also purchased. A reading room has been converted to a research computer lab by adding some furniture and an air conditioning unit in order to provide an appropriate working environments for researchers and the purchase equipment. All the purchased equipment were successfully installed and are fully functional. Several research projects, including two existing Air Force projects, are being performed using these facilities.

  20. Visualization of unsteady computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Haimes, Robert

    1994-11-01

    A brief summary of the computer environment used for calculating three dimensional unsteady Computational Fluid Dynamic (CFD) results is presented. This environment requires a super computer as well as massively parallel processors (MPP's) and clusters of workstations acting as a single MPP (by concurrently working on the same task) provide the required computational bandwidth for CFD calculations of transient problems. The cluster of reduced instruction set computers (RISC) is a recent advent based on the low cost and high performance that workstation vendors provide. The cluster, with the proper software can act as a multiple instruction/multiple data (MIMD) machine. A new set of software tools is being designed specifically to address visualizing 3D unsteady CFD results in these environments. Three user's manuals for the parallel version of Visual3, pV3, revision 1.00 make up the bulk of this report.

  1. Final Report Computational Analysis of Dynamical Systems

    SciTech Connect

    Guckenheimer, John

    2012-05-08

    This is the final report for DOE Grant DE-FG02-93ER25164, initiated in 1993. This grant supported research of John Guckenheimer on computational analysis of dynamical systems. During that period, seventeen individuals received PhD degrees under the supervision of Guckenheimer and over fifty publications related to the grant were produced. This document contains copies of these publications.

  2. Computational fluid dynamics in oil burner design

    SciTech Connect

    Butcher, T.A.

    1997-09-01

    In Computational Fluid Dynamics, the differential equations which describe flow, heat transfer, and mass transfer are approximately solved using a very laborious numerical procedure. Flows of practical interest to burner designs are always turbulent, adding to the complexity of requiring a turbulence model. This paper presents a model for burner design.

  3. Three-dimensional morphology and gene expression in the Drosophila blastoderm at cellular resolution II: dynamics

    PubMed Central

    Keränen, Soile VE; Fowlkes, Charless C; Luengo Hendriks, Cris L; Sudar, Damir; Knowles, David W; Malik, Jitendra; Biggin, Mark D

    2006-01-01

    Background To accurately describe gene expression and computationally model animal transcriptional networks, it is essential to determine the changing locations of cells in developing embryos. Results Using automated image analysis methods, we provide the first quantitative description of temporal changes in morphology and gene expression at cellular resolution in whole embryos, using the Drosophila blastoderm as a model. Analyses based on both fixed and live embryos reveal complex, previously undetected three-dimensional changes in nuclear density patterns caused by nuclear movements prior to gastrulation. Gene expression patterns move, in part, with these changes in morphology, but additional spatial shifts in expression patterns are also seen, supporting a previously proposed model of pattern dynamics based on the induction and inhibition of gene expression. We show that mutations that disrupt either the anterior/posterior (a/p) or the dorsal/ventral (d/v) transcriptional cascades alter morphology and gene expression along both the a/p and d/v axes in a way suggesting that these two patterning systems interact via both transcriptional and morphological mechanisms. Conclusion Our work establishes a new strategy for measuring temporal changes in the locations of cells and gene expression patterns that uses fixed cell material and computational modeling. It also provides a coordinate framework for the blastoderm embryo that will allow increasingly accurate spatio-temporal modeling of both the transcriptional control network and morphogenesis. PMID:17184547

  4. Probing Cellular Mechanoadaptation Using Cell-Substrate De-Adhesion Dynamics: Experiments and Model

    PubMed Central

    S S, Soumya; Sthanam, Lakshmi Kavitha; Padinhateeri, Ranjith; Inamdar, Mandar M.; Sen, Shamik

    2014-01-01

    Physical properties of the extracellular matrix (ECM) are known to regulate cellular processes ranging from spreading to differentiation, with alterations in cell phenotype closely associated with changes in physical properties of cells themselves. When plated on substrates of varying stiffness, fibroblasts have been shown to exhibit stiffness matching property, wherein cell cortical stiffness increases in proportion to substrate stiffness up to 5 kPa, and subsequently saturates. Similar mechanoadaptation responses have also been observed in other cell types. Trypsin de-adhesion represents a simple experimental framework for probing the contractile mechanics of adherent cells, with de-adhesion timescales shown to scale inversely with cortical stiffness values. In this study, we combine experiments and computation in deciphering the influence of substrate properties in regulating de-adhesion dynamics of adherent cells. We first show that NIH 3T3 fibroblasts cultured on collagen-coated polyacrylamide hydrogels de-adhere faster on stiffer substrates. Using a simple computational model, we qualitatively show how substrate stiffness and cell-substrate bond breakage rate collectively influence de-adhesion timescales, and also obtain analytical expressions of de-adhesion timescales in certain regimes of the parameter space. Finally, by comparing stiffness-dependent experimental and computational de-adhesion responses, we show that faster de-adhesion on stiffer substrates arises due to force-dependent breakage of cell-matrix adhesions. In addition to illustrating the utility of employing trypsin de-adhesion as a biophysical tool for probing mechanoadaptation, our computational results highlight the collective interplay of substrate properties and bond breakage rate in setting de-adhesion timescales. PMID:25197799

  5. Parallel computation of manipulator inverse dynamics

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1991-01-01

    In this article, parallel computation of manipulator inverse dynamics is investigated. A hierarchical graph-based mapping approach is devised to analyze the inherent parallelism in the Newton-Euler formulation at several computational levels, and to derive the features of an abstract architecture for exploitation of parallelism. At each level, a parallel algorithm represents the application of a parallel model of computation that transforms the computation into a graph whose structure defines the features of an abstract architecture, i.e., number of processors, communication structure, etc. Data-flow analysis is employed to derive the time lower bound in the computation as well as the sequencing of the abstract architecture. The features of the target architecture are defined by optimization of the abstract architecture to exploit maximum parallelism while minimizing architectural complexity. An architecture is designed and implemented that is capable of efficient exploitation of parallelism at several computational levels. The computation time of the Newton-Euler formulation for a 6-degree-of-freedom (dof) general manipulator is measured as 187 microsec. The increase in computation time for each additional dof is 23 microsec, which leads to a computation time of less than 500 microsec, even for a 12-dof redundant arm.

  6. Optimal dynamic remapping of parallel computations

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Reynolds, Paul F., Jr.

    1987-01-01

    A large class of computations are characterized by a sequence of phases, with phase changes occurring unpredictably. The decision problem was considered regarding the remapping of workload to processors in a parallel computation when the utility of remapping and the future behavior of the workload is uncertain, and phases exhibit stable execution requirements during a given phase, but requirements may change radically between phases. For these problems a workload assignment generated for one phase may hinder performance during the next phase. This problem is treated formally for a probabilistic model of computation with at most two phases. The fundamental problem of balancing the expected remapping performance gain against the delay cost was addressed. Stochastic dynamic programming is used to show that the remapping decision policy minimizing the expected running time of the computation has an extremely simple structure. Because the gain may not be predictable, the performance of a heuristic policy that does not require estimnation of the gain is examined. The heuristic method's feasibility is demonstrated by its use on an adaptive fluid dynamics code on a multiprocessor. The results suggest that except in extreme cases, the remapping decision problem is essentially that of dynamically determining whether gain can be achieved by remapping after a phase change. The results also suggest that this heuristic is applicable to computations with more than two phases.

  7. Dynamic fragmentation of cellular, ice-templated alumina scaffolds

    NASA Astrophysics Data System (ADS)

    Tan, Yi Ming; Cervantes, Octavio; Nam, SeanWoo; Molitoris, John D.; Hooper, Joseph P.

    2016-01-01

    We examine the dynamic failure of ice-templated freeze-cast alumina scaffolds that are being considered as biomimetic hierarchical structures. Three porosities of alumina freeze-cast structures were fabricated, and a systematic variation in microstructural properties such as lamellar width and thickness was observed with changing porosity. Dynamic impact tests were performed in a light-gas gun to examine the failure properties of these materials under high strain-rate loading. Nearly complete delamination was observed following impact, along with characteristic cracking across the lamellar width. Average fragment size decreases with increasing porosity, and a theoretical model was developed to explain this behavior based on microstructural changes. Using an energy balance between kinetic, strain, and surface energies within a single lamella, we are able to accurately predict the characteristic fragment size using only standard material properties of bulk alumina.

  8. Chromatin Dynamics in Lineage Commitment and Cellular Reprogramming

    PubMed Central

    Shchuka, Virlana M.; Malek-Gilani, Nakisa; Singh, Gurdeep; Langroudi, Lida; Dhaliwal, Navroop K.; Moorthy, Sakthi D.; Davidson, Scott; Macpherson, Neil N.; Mitchell, Jennifer A.

    2015-01-01

    Dynamic structural properties of chromatin play an essential role in defining cell identity and function. Transcription factors and chromatin modifiers establish and maintain cell states through alteration of DNA accessibility and histone modifications. This activity is focused at both gene-proximal promoter regions and distally located regulatory elements. In the three-dimensional space of the nucleus, distal elements are localized in close physical proximity to the gene-proximal regulatory sequences through the formation of chromatin loops. These looping features in the genome are highly dynamic as embryonic stem cells differentiate and commit to specific lineages, and throughout reprogramming as differentiated cells reacquire pluripotency. Identifying these functional distal regulatory regions in the genome provides insight into the regulatory processes governing early mammalian development and guidance for improving the protocols that generate induced pluripotent cells. PMID:26193323

  9. Chromatin Dynamics in Lineage Commitment and Cellular Reprogramming.

    PubMed

    Shchuka, Virlana M; Malek-Gilani, Nakisa; Singh, Gurdeep; Langroudi, Lida; Dhaliwal, Navroop K; Moorthy, Sakthi D; Davidson, Scott; Macpherson, Neil N; Mitchell, Jennifer A

    2015-01-01

    Dynamic structural properties of chromatin play an essential role in defining cell identity and function. Transcription factors and chromatin modifiers establish and maintain cell states through alteration of DNA accessibility and histone modifications. This activity is focused at both gene-proximal promoter regions and distally located regulatory elements. In the three-dimensional space of the nucleus, distal elements are localized in close physical proximity to the gene-proximal regulatory sequences through the formation of chromatin loops. These looping features in the genome are highly dynamic as embryonic stem cells differentiate and commit to specific lineages, and throughout reprogramming as differentiated cells reacquire pluripotency. Identifying these functional distal regulatory regions in the genome provides insight into the regulatory processes governing early mammalian development and guidance for improving the protocols that generate induced pluripotent cells. PMID:26193323

  10. Dynamical modeling and analysis of large cellular regulatory networks

    NASA Astrophysics Data System (ADS)

    Bérenguier, D.; Chaouiya, C.; Monteiro, P. T.; Naldi, A.; Remy, E.; Thieffry, D.; Tichit, L.

    2013-06-01

    The dynamical analysis of large biological regulatory networks requires the development of scalable methods for mathematical modeling. Following the approach initially introduced by Thomas, we formalize the interactions between the components of a network in terms of discrete variables, functions, and parameters. Model simulations result in directed graphs, called state transition graphs. We are particularly interested in reachability properties and asymptotic behaviors, which correspond to terminal strongly connected components (or "attractors") in the state transition graph. A well-known problem is the exponential increase of the size of state transition graphs with the number of network components, in particular when using the biologically realistic asynchronous updating assumption. To address this problem, we have developed several complementary methods enabling the analysis of the behavior of large and complex logical models: (i) the definition of transition priority classes to simplify the dynamics; (ii) a model reduction method preserving essential dynamical properties, (iii) a novel algorithm to compact state transition graphs and directly generate compressed representations, emphasizing relevant transient and asymptotic dynamical properties. The power of an approach combining these different methods is demonstrated by applying them to a recent multilevel logical model for the network controlling CD4+ T helper cell response to antigen presentation and to a dozen cytokines. This model accounts for the differentiation of canonical Th1 and Th2 lymphocytes, as well as of inflammatory Th17 and regulatory T cells, along with many hybrid subtypes. All these methods have been implemented into the software GINsim, which enables the definition, the analysis, and the simulation of logical regulatory graphs.

  11. Cellular Proteome Dynamics during Differentiation of Human Primary Myoblasts.

    PubMed

    Le Bihan, Marie-Catherine; Barrio-Hernandez, Inigo; Mortensen, Tenna Pavia; Henningsen, Jeanette; Jensen, Søren Skov; Bigot, Anne; Blagoev, Blagoy; Butler-Browne, Gillian; Kratchmarova, Irina

    2015-08-01

    Muscle stem cells, or satellite cells, play an important role in the maintenance and repair of muscle tissue and have the capacity to proliferate and differentiate in response to physiological or environmental changes. Although they have been extensively studied, the key regulatory steps and the complex temporal protein dynamics accompanying the differentiation of primary human muscle cells remain poorly understood. Here, we demonstrate the advantages of applying a MS-based quantitative approach, stable isotope labeling by amino acids in cell culture (SILAC), for studying human myogenesis in vitro and characterize the fine-tuned changes in protein expression underlying the dramatic phenotypic conversion of primary mononucleated human muscle cells during in vitro differentiation to form multinucleated myotubes. Using an exclusively optimized triple encoding SILAC procedure, we generated dynamic expression profiles during the course of myogenic differentiation and quantified 2240 proteins, 243 of which were regulated. These changes in protein expression occurred in sequential waves and underlined vast reprogramming in key processes governing cell fate decisions, i.e., cell cycle withdrawal, RNA metabolism, cell adhesion, proteolysis, and cytoskeletal organization. In silico transcription factor target analysis demonstrated that the observed dynamic changes in the proteome could be attributed to a cascade of transcriptional events involving key myogenic regulatory factors as well as additional regulators not yet known to act on muscle differentiation. In addition, we created of a dynamic map of the developing myofibril, providing valuable insights into the formation and maturation of the contractile apparatus in vitro. Finally, our SILAC-based quantitative approach offered the possibility to follow the expression profiles of several muscle disease-associated proteins simultaneously and therefore could be a valuable resource for future studies investigating

  12. Atlas of Cellular Dynamics during Zebrafish Adult Kidney Regeneration

    PubMed Central

    McCampbell, Kristen K.; Springer, Kristin N.; Wingert, Rebecca A.

    2015-01-01

    The zebrafish is a useful animal model to study the signaling pathways that orchestrate kidney regeneration, as its renal nephrons are simple, yet they maintain the biological complexity inherent to that of higher vertebrate organisms including mammals. Recent studies have suggested that administration of the aminoglycoside antibiotic gentamicin in zebrafish mimics human acute kidney injury (AKI) through the induction of nephron damage, but the timing and details of critical phenotypic events associated with the regeneration process, particularly in existing nephrons, have not been characterized. Here, we mapped the temporal progression of cellular and molecular changes that occur during renal epithelial regeneration of the proximal tubule in the adult zebrafish using a platform of histological and expression analysis techniques. This work establishes the timing of renal cell death after gentamicin injury, identifies proliferative compartments within the kidney, and documents gene expression changes associated with the regenerative response of proliferating cells. These data provide an important descriptive atlas that documents the series of events that ensue after damage in the zebrafish kidney, thus availing a valuable resource for the scientific community that can facilitate the implementation of zebrafish research to delineate the mechanisms that control renal regeneration. PMID:26089919

  13. Computed optical interferometric tomography for high-speed volumetric cellular imaging.

    PubMed

    Liu, Yuan-Zhi; Shemonski, Nathan D; Adie, Steven G; Ahmad, Adeel; Bower, Andrew J; Carney, P Scott; Boppart, Stephen A

    2014-09-01

    Three-dimensional high-resolution imaging methods are important for cellular-level research. Optical coherence microscopy (OCM) is a low-coherence-based interferometry technology for cellular imaging with both high axial and lateral resolution. Using a high-numerical-aperture objective, OCM normally has a shallow depth of field and requires scanning the focus through the entire region of interest to perform volumetric imaging. With a higher-numerical-aperture objective, the image quality of OCM is affected by and more sensitive to aberrations. Interferometric synthetic aperture microscopy (ISAM) and computational adaptive optics (CAO) are computed imaging techniques that overcome the depth-of-field limitation and the effect of optical aberrations in optical coherence tomography (OCT), respectively. In this work we combine OCM with ISAM and CAO to achieve high-speed volumetric cellular imaging. Experimental imaging results of ex vivo human breast tissue, ex vivo mouse brain tissue, in vitro fibroblast cells in 3D scaffolds, and in vivo human skin demonstrate the significant potential of this technique for high-speed volumetric cellular imaging. PMID:25401012

  14. Computed optical interferometric tomography for high-speed volumetric cellular imaging

    PubMed Central

    Liu, Yuan-Zhi; Shemonski, Nathan D.; Adie, Steven G.; Ahmad, Adeel; Bower, Andrew J.; Carney, P. Scott; Boppart, Stephen A.

    2014-01-01

    Three-dimensional high-resolution imaging methods are important for cellular-level research. Optical coherence microscopy (OCM) is a low-coherence-based interferometry technology for cellular imaging with both high axial and lateral resolution. Using a high-numerical-aperture objective, OCM normally has a shallow depth of field and requires scanning the focus through the entire region of interest to perform volumetric imaging. With a higher-numerical-aperture objective, the image quality of OCM is affected by and more sensitive to aberrations. Interferometric synthetic aperture microscopy (ISAM) and computational adaptive optics (CAO) are computed imaging techniques that overcome the depth-of-field limitation and the effect of optical aberrations in optical coherence tomography (OCT), respectively. In this work we combine OCM with ISAM and CAO to achieve high-speed volumetric cellular imaging. Experimental imaging results of ex vivo human breast tissue, ex vivo mouse brain tissue, in vitro fibroblast cells in 3D scaffolds, and in vivo human skin demonstrate the significant potential of this technique for high-speed volumetric cellular imaging. PMID:25401012

  15. Stochasticity and universal dynamics in communicating cellular populations

    NASA Astrophysics Data System (ADS)

    Noorbakhsh, Javad; Mehta, Pankaj; Allyson Sgro Collaboration; David Schwab Collaboration; Troy Mestler Collaboration; Thomas Gregor Collaboration

    2014-03-01

    A fundamental problem in biology is to understand how biochemical networks within individual cells coordinate and control population-level behaviors. Our knowledge of these biochemical networks is often incomplete, with little known about the underlying kinetic parameters. Here, we present a general modeling approach for overcoming these challenges based on universality. We apply our approach to study the emergence of collective oscillations of the signaling molecule cAMP in populations of the social amoebae Dictyostelium discoideum and show that a simple two-dimensional dynamical system can reproduce signaling dynamics of single cells and successfully predict novel population-level behaviors. We reduce all the important parameters of our model to only two and will study its behavior through a phase diagram. This phase diagram determines conditions under which cells are quiet or oscillating either coherently or incoherently. Furthermore it allows us to study the effect of different model components such as stochasticity, multicellularity and signal preprocessing. A central finding of our model is that Dictyostelium exploit stochasticity within biochemical networks to control population level behaviors.

  16. The brain dynamics of linguistic computation

    PubMed Central

    Murphy, Elliot

    2015-01-01

    Neural oscillations at distinct frequencies are increasingly being related to a number of basic and higher cognitive faculties. Oscillations enable the construction of coherently organized neuronal assemblies through establishing transitory temporal correlations. By exploring the elementary operations of the language faculty—labeling, concatenation, cyclic transfer—alongside neural dynamics, a new model of linguistic computation is proposed. It is argued that the universality of language, and the true biological source of Universal Grammar, is not to be found purely in the genome as has long been suggested, but more specifically within the extraordinarily preserved nature of mammalian brain rhythms employed in the computation of linguistic structures. Computational-representational theories are used as a guide in investigating the neurobiological foundations of the human “cognome”—the set of computations performed by the nervous system—and new directions are suggested for how the dynamics of the brain (the “dynome”) operate and execute linguistic operations. The extent to which brain rhythms are the suitable neuronal processes which can capture the computational properties of the human language faculty is considered against a backdrop of existing cartographic research into the localization of linguistic interpretation. Particular focus is placed on labeling, the operation elsewhere argued to be species-specific. A Basic Label model of the human cognome-dynome is proposed, leading to clear, causally-addressable empirical predictions, to be investigated by a suggested research program, Dynamic Cognomics. In addition, a distinction between minimal and maximal degrees of explanation is introduced to differentiate between the depth of analysis provided by cartographic, rhythmic, neurochemical, and other approaches to computation. PMID:26528201

  17. Visualization of unsteady computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Haimes, Robert

    1995-01-01

    The current computing environment that most researchers are using for the calculation of 3D unsteady Computational Fluid Dynamic (CFD) results is a super-computer class machine. The Massively Parallel Processors (MPP's) such as the 160 node IBM SP2 at NAS and clusters of workstations acting as a single MPP (like NAS's SGI Power-Challenge array) provide the required computation bandwidth for CFD calculations of transient problems. Work is in progress on a set of software tools designed specifically to address visualizing 3D unsteady CFD results in these super-computer-like environments. The visualization is concurrently executed with the CFD solver. The parallel version of Visual3, pV3 required splitting up the unsteady visualization task to allow execution across a network of workstation(s) and compute servers. In this computing model, the network is almost always the bottleneck so much of the effort involved techniques to reduce the size of the data transferred between machines.

  18. Visualization of unsteady computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Haimes, Robert

    1995-10-01

    The current computing environment that most researchers are using for the calculation of 3D unsteady Computational Fluid Dynamic (CFD) results is a super-computer class machine. The Massively Parallel Processors (MPP's) such as the 160 node IBM SP2 at NAS and clusters of workstations acting as a single MPP (like NAS's SGI Power-Challenge array) provide the required computation bandwidth for CFD calculations of transient problems. Work is in progress on a set of software tools designed specifically to address visualizing 3D unsteady CFD results in these super-computer-like environments. The visualization is concurrently executed with the CFD solver. The parallel version of Visual3, pV3 required splitting up the unsteady visualization task to allow execution across a network of workstation(s) and compute servers. In this computing model, the network is almost always the bottleneck so much of the effort involved techniques to reduce the size of the data transferred between machines.

  19. Cellular adhesome screen identifies critical modulators of focal adhesion dynamics, cellular traction forces and cell migration behaviour

    PubMed Central

    Fokkelman, Michiel; Balcıoğlu, Hayri E.; Klip, Janna E.; Yan, Kuan; Verbeek, Fons J.; Danen, Erik H. J.; van de Water, Bob

    2016-01-01

    Cancer cells migrate from the primary tumour into surrounding tissue in order to form metastasis. Cell migration is a highly complex process, which requires continuous remodelling and re-organization of the cytoskeleton and cell-matrix adhesions. Here, we aimed to identify genes controlling aspects of tumour cell migration, including the dynamic organization of cell-matrix adhesions and cellular traction forces. In a siRNA screen targeting most cell adhesion-related genes we identified 200+ genes that regulate size and/or dynamics of cell-matrix adhesions in MCF7 breast cancer cells. In a subsequent secondary screen, the 64 most effective genes were evaluated for growth factor-induced cell migration and validated by tertiary RNAi pool deconvolution experiments. Four validated hits showed significantly enlarged adhesions accompanied by reduced cell migration upon siRNA-mediated knockdown. Furthermore, loss of PPP1R12B, HIPK3 or RAC2 caused cells to exert higher traction forces, as determined by traction force microscopy with elastomeric micropillar post arrays, and led to considerably reduced force turnover. Altogether, we identified genes that co-regulate cell-matrix adhesion dynamics and traction force turnover, thereby modulating overall motility behaviour. PMID:27531518

  20. Logical Modeling and Dynamical Analysis of Cellular Networks

    PubMed Central

    Abou-Jaoudé, Wassim; Traynard, Pauline; Monteiro, Pedro T.; Saez-Rodriguez, Julio; Helikar, Tomáš; Thieffry, Denis; Chaouiya, Claudine

    2016-01-01

    The logical (or logic) formalism is increasingly used to model regulatory and signaling networks. Complementing these applications, several groups contributed various methods and tools to support the definition and analysis of logical models. After an introduction to the logical modeling framework and to several of its variants, we review here a number of recent methodological advances to ease the analysis of large and intricate networks. In particular, we survey approaches to determine model attractors and their reachability properties, to assess the dynamical impact of variations of external signals, and to consistently reduce large models. To illustrate these developments, we further consider several published logical models for two important biological processes, namely the differentiation of T helper cells and the control of mammalian cell cycle. PMID:27303434

  1. Imaging cellular dynamics in vivo with multicolor fluorescent proteins

    NASA Astrophysics Data System (ADS)

    Hoffman, Robert M.

    2005-04-01

    The new field of in vivo cell biology is being developed with multi-colored fluorescent proteins. With the use of fluorescent proteins, the behavior of individual cells can be visualized in the living animal. An example of the new cell biology is dual-color fluorescence imaging using red fluorescent protein (RFP)-expressing tumors transplanted in green fluorescent protein (GFP)-expressing transgenic mice. These models show with great clarity the details of the tumor-stroma cell-cell interaction especially tumor-induced angiogenesis, tumor-infiltrating lymphocytes, stromal fibroblasts and macrophages. Another example is the color-coding of cells with RFP or GFP such that both cell types and their interaction can be simultaneously visualized in vivo. Stem cells can also be visualized and tracked in vivo with fluorescent proteins. Mice, in which the regulatory elements of the stem-cell marker nestin drive GFP expression, can be used to visualize hair follicle stem cells including their ability to form hair follicles as well as blood vessels. Dual-color cells expressing GFP in the nucleus and RFP in the cytoplasm enable real-time visualization of nuclear-cytoplasm dynamics including cell cycle events and apoptosis. Dual-color cells also enable the in vivo imaging of cell and nuclear deformation as well as trafficking in capillaries in living animals. Multiple-color labeling of cells will enable multiple events to be simultaneously visualized in vivo including cell-cell interaction, gene expression, ion fluxes, protein and organelle trafficking, chromosome dynamics and numerous other processes currently still studied in vitro.

  2. Spectral Methods for Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Zang, T. A.; Streett, C. L.; Hussaini, M. Y.

    1994-01-01

    As a tool for large-scale computations in fluid dynamics, spectral methods were prophesized in 1944, born in 1954, virtually buried in the mid-1960's, resurrected in 1969, evangalized in the 1970's, and catholicized in the 1980's. The use of spectral methods for meteorological problems was proposed by Blinova in 1944 and the first numerical computations were conducted by Silberman (1954). By the early 1960's computers had achieved sufficient power to permit calculations with hundreds of degrees of freedom. For problems of this size the traditional way of computing the nonlinear terms in spectral methods was expensive compared with finite-difference methods. Consequently, spectral methods fell out of favor. The expense of computing nonlinear terms remained a severe drawback until Orszag (1969) and Eliasen, Machenauer, and Rasmussen (1970) developed the transform methods that still form the backbone of many large-scale spectral computations. The original proselytes of spectral methods were meteorologists involved in global weather modeling and fluid dynamicists investigating isotropic turbulence. The converts who were inspired by the successes of these pioneers remained, for the most part, confined to these and closely related fields throughout the 1970's. During that decade spectral methods appeared to be well-suited only for problems governed by ordinary diSerential eqllations or by partial differential equations with periodic boundary conditions. And, of course, the solution itself needed to be smooth. Some of the obstacles to wider application of spectral methods were: (1) poor resolution of discontinuous solutions; (2) inefficient implementation of implicit methods; and (3) drastic geometric constraints. All of these barriers have undergone some erosion during the 1980's, particularly the latter two. As a result, the applicability and appeal of spectral methods for computational fluid dynamics has broadened considerably. The motivation for the use of spectral

  3. The use of computers for instruction in fluid dynamics

    NASA Technical Reports Server (NTRS)

    Watson, Val

    1987-01-01

    Applications for computers which improve instruction in fluid dynamics are examined. Computers can be used to illustrate three-dimensional flow fields and simple fluid dynamics mechanisms, to solve fluid dynamics problems, and for electronic sketching. The usefulness of computer applications is limited by computer speed, memory, and software and the clarity and field of view of the projected display. Proposed advances in personal computers which will address these limitations are discussed. Long range applications for computers in education are considered.

  4. Computation in Dynamically Bounded Asymmetric Systems

    PubMed Central

    Rutishauser, Ueli; Slotine, Jean-Jacques; Douglas, Rodney

    2015-01-01

    Previous explanations of computations performed by recurrent networks have focused on symmetrically connected saturating neurons and their convergence toward attractors. Here we analyze the behavior of asymmetrical connected networks of linear threshold neurons, whose positive response is unbounded. We show that, for a wide range of parameters, this asymmetry brings interesting and computationally useful dynamical properties. When driven by input, the network explores potential solutions through highly unstable ‘expansion’ dynamics. This expansion is steered and constrained by negative divergence of the dynamics, which ensures that the dimensionality of the solution space continues to reduce until an acceptable solution manifold is reached. Then the system contracts stably on this manifold towards its final solution trajectory. The unstable positive feedback and cross inhibition that underlie expansion and divergence are common motifs in molecular and neuronal networks. Therefore we propose that very simple organizational constraints that combine these motifs can lead to spontaneous computation and so to the spontaneous modification of entropy that is characteristic of living systems. PMID:25617645

  5. Arterioportal shunts on dynamic computed tomography

    SciTech Connect

    Nakayama, T.; Hiyama, Y.; Ohnishi, K.; Tsuchiya, S.; Kohno, K.; Nakajima, Y.; Okuda, K.

    1983-05-01

    Thirty-two patients, 20 with hepatocelluar carcinoma and 12 with liver cirrhosis, were examined by dynamic computed tomography (CT) using intravenous bolus injection of contrast medium and by celiac angiography. Dynamic CT disclosed arterioportal shunting in four cases of hepatocellular carcinoma and in one of cirrhosis. In three of the former, the arterioportal shunt was adjacent to a mass lesion on CT, suggesting tumor invasion into the portal branch. In one with hepatocellular carcinoma, the shunt was remote from the mass. In the case with cirrhosis, there was no mass. In these last two cases, the shunt might have been caused by prior percutaneous needle puncture. In another case of hepatocellular carcinoma, celiac angiography but not CT demonstrated an arterioportal shunt. Thus, dynamic CT was diagnostic in five of six cases of arteriographically demonstrated arterioportal shunts.

  6. A computational model for dynamic vision

    NASA Technical Reports Server (NTRS)

    Moezzi, Saied; Weymouth, Terry E.

    1990-01-01

    This paper describes a novel computational model for dynamic vision which promises to be both powerful and robust. Furthermore the paradigm is ideal for an active vision system where camera vergence changes dynamically. Its basis is the retinotopically indexed object-centered encoding of the early visual information. Specifically, the relative distances of objects to a set of referents is encoded in image registered maps. To illustrate the efficacy of the method, it is applied to the problem of dynamic stereo vision. Integration of depth information over multiple frames obtained by a moving robot generally requires precise information about the relative camera position from frame to frame. Usually, this information can only be approximated. The method facilitates the integration of depth information without direct use or knowledge of camera motion.

  7. Human systems dynamics: Toward a computational model

    NASA Astrophysics Data System (ADS)

    Eoyang, Glenda H.

    2012-09-01

    A robust and reliable computational model of complex human systems dynamics could support advancements in theory and practice for social systems at all levels, from intrapersonal experience to global politics and economics. Models of human interactions have evolved from traditional, Newtonian systems assumptions, which served a variety of practical and theoretical needs of the past. Another class of models has been inspired and informed by models and methods from nonlinear dynamics, chaos, and complexity science. None of the existing models, however, is able to represent the open, high dimension, and nonlinear self-organizing dynamics of social systems. An effective model will represent interactions at multiple levels to generate emergent patterns of social and political life of individuals and groups. Existing models and modeling methods are considered and assessed against characteristic pattern-forming processes in observed and experienced phenomena of human systems. A conceptual model, CDE Model, based on the conditions for self-organizing in human systems, is explored as an alternative to existing models and methods. While the new model overcomes the limitations of previous models, it also provides an explanatory base and foundation for prospective analysis to inform real-time meaning making and action taking in response to complex conditions in the real world. An invitation is extended to readers to engage in developing a computational model that incorporates the assumptions, meta-variables, and relationships of this open, high dimension, and nonlinear conceptual model of the complex dynamics of human systems.

  8. Dynamic self-organization of microwell-aggregated cellular mixtures.

    PubMed

    Song, Wei; Tung, Chih-Kuan; Lu, Yen-Chun; Pardo, Yehudah; Wu, Mingming; Das, Moumita; Kao, Der-I; Chen, Shuibing; Ma, Minglin

    2016-06-29

    Cells with different cohesive properties self-assemble in a spatiotemporal and context-dependent manner. Previous studies on cell self-organization mainly focused on the spontaneous structural development within a short period of time during which the cell numbers remained constant. However the effect of cell proliferation over time on the self-organization of cells is largely unexplored. Here, we studied the spatiotemporal dynamics of self-organization of a co-culture of MDA-MB-231 and MCF10A cells seeded in a well defined space (i.e. non-adherent microfabricated wells). When cell-growth was chemically inhibited, high cohesive MCF10A cells formed a core surrounded by low cohesive MDA-MB-231 cells on the periphery, consistent with the differential adhesion hypothesis (DAH). Interestingly, this aggregate morphology was completely inverted when the cells were free to grow. At an initial seeding ratio of 1 : 1 (MDA-MB-231 : MCF10A), the fast growing MCF10A cells segregated in the periphery while the slow growing MDA-MB-231 cells stayed in the core. Another morphology developed at an inequal seeding ratio (4 : 1), that is, the cell mixtures developed a side-by-side aggregate morphology. We conclude that the cell self-organization depends not only on the cell cohesive properties but also on the cell seeding ratio and proliferation. Furthermore, by taking advantage of the cell self-organization, we purified human embryonic stem cells-derived pancreatic progenitors (hESCs-PPs) from co-cultured feeder cells without using any additional tools or labels. PMID:27275624

  9. Computational fluid dynamics uses in fluid dynamics/aerodynamics education

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.

    1994-01-01

    The field of computational fluid dynamics (CFD) has advanced to the point where it can now be used for the purpose of fluid dynamics physics education. Because of the tremendous wealth of information available from numerical simulation, certain fundamental concepts can be efficiently communicated using an interactive graphical interrogation of the appropriate numerical simulation data base. In other situations, a large amount of aerodynamic information can be communicated to the student by interactive use of simple CFD tools on a workstation or even in a personal computer environment. The emphasis in this presentation is to discuss ideas for how this process might be implemented. Specific examples, taken from previous publications, will be used to highlight the presentation.

  10. A Computationally Efficient Modeling Approach for Predicting Mechanical Behavior of Cellular Lattice Structures

    NASA Astrophysics Data System (ADS)

    Karamooz Ravari, M. R.; Kadkhodaei, M.

    2015-01-01

    As the fabrication and characterization of cellular lattice structures are time consuming and expensive, development of simple models is vital. In this paper, a new approach is presented to model the mechanical stress-strain curve of cellular lattices with low computational efforts. To do so, first, a single strut of the lattice is modeled with its imperfections and defects. The stress-strain of a specimen fabricated with the same processing parameters as those used for the lattice is used as the base material. Then, this strut is simulated in simple tension, and its stress-strain curve is obtained. After that, a unit cell of the lattice is simulated without any imperfections, and the material parameters of the single strut are attributed to the bulk material. Using this method, the stress-strain behavior of the lattice is obtained and shown to be in a good agreement with the experimental result. Accordingly, this paper presents a computationally efficient method for modeling the mechanical properties of cellular lattices with a reasonable accuracy using the material parameters of simple tension tests. The effects of the single strut's length and its micropores on its mechanical properties are also assessed.

  11. Statistical analysis of cellular detonation dynamics from numerical simulations: one-step chemistry

    NASA Astrophysics Data System (ADS)

    Sharpe, G. J.; Radulescu, M. I.

    2011-10-01

    In this paper, two methods are developed for statistically analysing the nonlinear cellular dynamics from numerical simulations of gaseous detonations, one use of which is the systematic determination of detonation cell sizes from such simulations. Both these methods rely on signed vorticity records in which the individual families of transverse waves are captured independently. The first method involves an automated extraction of the main triple-point tracks from the vorticity records, allowing statistical analysis of the spacings between neighbouring tracks. The second method uses the autocorrelation function to spectrally analyse the vorticity records. These methods are then employed for a preliminary analysis of the cellular dynamics of the standard, idealized one-step chemistry model. Evidence is found for 'cell size doubling' bifurcations in the one-step model as the cellular dynamics become more irregular (e.g. as the activation is increased). It is also shown that the statistical models converge slowly due to systematic 'shot-to-shot' variation in the cellular dynamics for fixed parameters with different initial perturbations. Instead, it appears that a range of equally probable cell sizes can be obtained for given parameters.

  12. A SIMPLE CELLULAR AUTOMATON MODEL FOR HIGH-LEVEL VEGETATION DYNAMICS

    EPA Science Inventory

    We have produced a simple two-dimensional (ground-plan) cellular automata model of vegetation dynamics specifically to investigate high-level community processes. The model is probabilistic, with individual plant behavior determined by physiologically-based rules derived from a w...

  13. Computational Fluid Dynamics of rising droplets

    SciTech Connect

    Wagner, Matthew; Francois, Marianne M.

    2012-09-05

    The main goal of this study is to perform simulations of droplet dynamics using Truchas, a LANL-developed computational fluid dynamics (CFD) software, and compare them to a computational study of Hysing et al.[IJNMF, 2009, 60:1259]. Understanding droplet dynamics is of fundamental importance in liquid-liquid extraction, a process used in the nuclear fuel cycle to separate various components. Simulations of a single droplet rising by buoyancy are conducted in two-dimensions. Multiple parametric studies are carried out to ensure the problem set-up is optimized. An Interface Smoothing Length (ISL) study and mesh resolution study are performed to verify convergence of the calculations. ISL is a parameter for the interface curvature calculation. Further, wall effects are investigated and checked against existing correlations. The ISL study found that the optimal ISL value is 2.5{Delta}x, with {Delta}x being the mesh cell spacing. The mesh resolution study found that the optimal mesh resolution is d/h=40, for d=drop diameter and h={Delta}x. In order for wall effects on terminal velocity to be insignificant, a conservative wall width of 9d or a nonconservative wall width of 7d can be used. The percentage difference between Hysing et al.[IJNMF, 2009, 60:1259] and Truchas for the velocity profiles vary from 7.9% to 9.9%. The computed droplet velocity and interface profiles are found in agreement with the study. The CFD calculations are performed on multiple cores, using LANL's Institutional High Performance Computing.

  14. Resolution of Infinite-Loop in Hyperincursive and Nonlocal Cellular Automata: Introduction to Slime Mold Computing

    NASA Astrophysics Data System (ADS)

    Aono, Masashi; Gunji, Yukio-Pegio

    2004-08-01

    How can non-algorithmic/non-deterministic computational syntax be computed? "The hyperincursive system" introduced by Dubois is an anticipatory system embracing the contradiction/uncertainty. Although it may provide a novel viewpoint for the understanding of complex systems, conventional digital computers cannot run faithfully as the hyperincursive computational syntax specifies, in a strict sense. Then is it an imaginary story? In this paper we try to argue that it is not. We show that a model of complex systems "Elementary Conflictable Cellular Automata (ECCA)" proposed by Aono and Gunji is embracing the hyperincursivity and the nonlocality. ECCA is based on locality-only type settings basically as well as other CA models, and/but at the same time, each cell is required to refer to globality-dominant regularity. Due to this contradictory locality-globality loop, the time evolution equation specifies that the system reaches the deadlock/infinite-loop. However, we show that there is a possibility of the resolution of these problems if the computing system has parallel and/but non-distributed property like an amoeboid organism. This paper is an introduction to "the slime mold computing" that is an attempt to cultivate an unconventional notion of computation.

  15. Inference of tumor evolution during chemotherapy by computational modeling and in situ analysis of genetic and phenotypic cellular diversity

    SciTech Connect

    Almendro, Vanessa; Cheng, Yu -Kang; Randles, Amanda; Itzkovitz, Shalev; Marusyk, Andriy; Ametller, Elisabet; Gonzalez-Farre, Xavier; Muñoz, Montse; Russnes, Hege  G.; Helland, Åslaug; Rye, Inga  H.; Borresen-Dale, Anne -Lise; Maruyama, Reo; van Oudenaarden, Alexander; Dowsett, Mitchell; Jones, Robin  L.; Reis-Filho, Jorge; Gascon, Pere; Gönen, Mithat; Michor, Franziska; Polyak, Kornelia

    2014-02-01

    Cancer therapy exerts a strong selection pressure that shapes tumor evolution, yet our knowledge of how tumors change during treatment is limited. Here, we report the analysis of cellular heterogeneity for genetic and phenotypic features and their spatial distribution in breast tumors pre- and post-neoadjuvant chemotherapy. We found that intratumor genetic diversity was tumor-subtype specific, and it did not change during treatment in tumors with partial or no response. However, lower pretreatment genetic diversity was significantly associated with pathologic complete response. In contrast, phenotypic diversity was different between pre- and post-treatment samples. We also observed significant changes in the spatial distribution of cells with distinct genetic and phenotypic features. We used these experimental data to develop a stochastic computational model to infer tumor growth patterns and evolutionary dynamics. Our results highlight the importance of integrated analysis of genotypes and phenotypes of single cells in intact tissues to predict tumor evolution.

  16. Inference of tumor evolution during chemotherapy by computational modeling and in situ analysis of genetic and phenotypic cellular diversity

    DOE PAGESBeta

    Almendro, Vanessa; Cheng, Yu -Kang; Randles, Amanda; Itzkovitz, Shalev; Marusyk, Andriy; Ametller, Elisabet; Gonzalez-Farre, Xavier; Muñoz, Montse; Russnes, Hege  G.; Helland, Åslaug; et al

    2014-02-01

    Cancer therapy exerts a strong selection pressure that shapes tumor evolution, yet our knowledge of how tumors change during treatment is limited. Here, we report the analysis of cellular heterogeneity for genetic and phenotypic features and their spatial distribution in breast tumors pre- and post-neoadjuvant chemotherapy. We found that intratumor genetic diversity was tumor-subtype specific, and it did not change during treatment in tumors with partial or no response. However, lower pretreatment genetic diversity was significantly associated with pathologic complete response. In contrast, phenotypic diversity was different between pre- and post-treatment samples. We also observed significant changes in the spatialmore » distribution of cells with distinct genetic and phenotypic features. We used these experimental data to develop a stochastic computational model to infer tumor growth patterns and evolutionary dynamics. Our results highlight the importance of integrated analysis of genotypes and phenotypes of single cells in intact tissues to predict tumor evolution.« less

  17. Advances in computational fluid dynamics solvers for modern computing environments

    NASA Astrophysics Data System (ADS)

    Hertenstein, Daniel; Humphrey, John R.; Paolini, Aaron L.; Kelmelis, Eric J.

    2013-05-01

    EM Photonics has been investigating the application of massively multicore processors to a key problem area: Computational Fluid Dynamics (CFD). While the capabilities of CFD solvers have continually increased and improved to support features such as moving bodies and adjoint-based mesh adaptation, the software architecture has often lagged behind. This has led to poor scaling as core counts reach the tens of thousands. In the modern High Performance Computing (HPC) world, clusters with hundreds of thousands of cores are becoming the standard. In addition, accelerator devices such as NVIDIA GPUs and Intel Xeon Phi are being installed in many new systems. It is important for CFD solvers to take advantage of the new hardware as the computations involved are well suited for the massively multicore architecture. In our work, we demonstrate that new features in NVIDIA GPUs are able to empower existing CFD solvers by example using AVUS, a CFD solver developed by the Air Force Research Labratory (AFRL) and the Volcanic Ash Advisory Center (VAAC). The effort has resulted in increased performance and scalability without sacrificing accuracy. There are many well-known codes in the CFD space that can benefit from this work, such as FUN3D, OVERFLOW, and TetrUSS. Such codes are widely used in the commercial, government, and defense sectors.

  18. Chromatin dynamics during cellular differentiation in the female reproductive lineage of flowering plants.

    PubMed

    Baroux, Célia; Autran, Daphné

    2015-07-01

    Sexual reproduction in flowering plants offers a number of remarkable aspects to developmental biologists. First, the spore mother cells - precursors of the plant reproductive lineage - are specified late in development, as opposed to precocious germline isolation during embryogenesis in most animals. Second, unlike in most animals where meiosis directly produces gametes, plant meiosis entails the differentiation of a multicellular, haploid gametophyte, within which gametic as well as non-gametic accessory cells are formed. These observations raise the question of the factors inducing and modus operandi of cell fate transitions that originate in floral tissues and gametophytes, respectively. Cell fate transitions in the reproductive lineage imply cellular reprogramming operating at the physiological, cytological and transcriptome level, but also at the chromatin level. A number of observations point to large-scale chromatin reorganization events associated with cellular differentiation of the female spore mother cells and of the female gametes. These include a reorganization of the heterochromatin compartment, the genome-wide alteration of the histone modification landscape, and the remodeling of nucleosome composition. The dynamic expression of DNA methyltransferases and actors of small RNA pathways also suggest additional, global epigenetic alterations that remain to be characterized. Are these events a cause or a consequence of cellular differentiation, and how do they contribute to cell fate transition? Does chromatin dynamics induce competence for immediate cellular functions (meiosis, fertilization), or does it also contribute long-term effects in cellular identity and developmental competence of the reproductive lineage? This review attempts to review these fascinating questions. PMID:26031902

  19. REVIEWS OF TOPICAL PROBLEMS: Study of spatially extended dynamical systems using probabilistic cellular automata

    NASA Astrophysics Data System (ADS)

    Vanag, Vladimir K.

    1999-05-01

    Spatially extended dynamical systems are ubiquitous and include such things as insect and animal populations; complex chemical, technological, and geochemical processes; humanity itself, and much more. It is clearly desirable to have a certain universal tool with which the highly complex behaviour of nonlinear dynamical systems can be analyzed and modelled. For this purpose, cellular automata seem to be good candidates. In the present review, emphasis is placed on the possibilities that various types of probabilistic cellular automata (PCA), such as DSMC (direct simulation Monte Carlo) and LGCA (lattice-gas cellular automata), offer. The methods are primarily designed for modelling spatially extended dynamical systems with inner fluctuations accounted for. For the Willamowskii-Roessler and Oregonator models, PCA applications to the following problems are illustrated: the effect of fluctuations on the dynamics of nonlinear systems; Turing structure formation; the effect of hydrodynamic modes on the behaviour of nonlinear chemical systems (stirring effects); bifurcation changes in the dynamical regimes of complex systems with restricted geometry or low spatial dimension; and the description of chemical systems in microemulsions.

  20. A Mathematical Model to study the Dynamics of Epithelial Cellular Networks

    PubMed Central

    Abate, Alessandro; Vincent, Stéphane; Dobbe, Roel; Silletti, Alberto; Master, Neal; Axelrod, Jeffrey D.; Tomlin, Claire J.

    2013-01-01

    Epithelia are sheets of connected cells that are essential across the animal kingdom. Experimental observations suggest that the dynamical behavior of many single-layered epithelial tissues has strong analogies with that of specific mechanical systems, namely large networks consisting of point masses connected through spring-damper elements and undergoing the influence of active and dissipating forces. Based on this analogy, this work develops a modeling framework to enable the study of the mechanical properties and of the dynamic behavior of large epithelial cellular networks. The model is built first by creating a network topology that is extracted from the actual cellular geometry as obtained from experiments, then by associating a mechanical structure and dynamics to the network via spring-damper elements. This scalable approach enables running simulations of large network dynamics: the derived modeling framework in particular is predisposed to be tailored to study general dynamics (for example, morphogenesis) of various classes of single-layered epithelial cellular networks. In this contribution we test the model on a case study of the dorsal epithelium of the Drosophila melanogaster embryo during early dorsal closure (and, less conspicuously, germband retraction). PMID:23221083

  1. Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads

    PubMed Central

    Stone, John E.; Hallock, Michael J.; Phillips, James C.; Peterson, Joseph R.; Luthey-Schulten, Zaida; Schulten, Klaus

    2016-01-01

    Many of the continuing scientific advances achieved through computational biology are predicated on the availability of ongoing increases in computational power required for detailed simulation and analysis of cellular processes on biologically-relevant timescales. A critical challenge facing the development of future exascale supercomputer systems is the development of new computing hardware and associated scientific applications that dramatically improve upon the energy efficiency of existing solutions, while providing increased simulation, analysis, and visualization performance. Mobile computing platforms have recently become powerful enough to support interactive molecular visualization tasks that were previously only possible on laptops and workstations, creating future opportunities for their convenient use for meetings, remote collaboration, and as head mounted displays for immersive stereoscopic viewing. We describe early experiences adapting several biomolecular simulation and analysis applications for emerging heterogeneous computing platforms that combine power-efficient system-on-chip multi-core CPUs with high-performance massively parallel GPUs. We present low-cost power monitoring instrumentation that provides sufficient temporal resolution to evaluate the power consumption of individual CPU algorithms and GPU kernels. We compare the performance and energy efficiency of scientific applications running on emerging platforms with results obtained on traditional platforms, identify hardware and algorithmic performance bottlenecks that affect the usability of these platforms, and describe avenues for improving both the hardware and applications in pursuit of the needs of molecular modeling tasks on mobile devices and future exascale computers. PMID:27516922

  2. Computational fluid dynamics: Transition to design applications

    NASA Technical Reports Server (NTRS)

    Bradley, R. G.; Bhateley, I. C.; Howell, G. A.

    1987-01-01

    The development of aerospace vehicles, over the years, was an evolutionary process in which engineering progress in the aerospace community was based, generally, on prior experience and data bases obtained through wind tunnel and flight testing. Advances in the fundamental understanding of flow physics, wind tunnel and flight test capability, and mathematical insights into the governing flow equations were translated into improved air vehicle design. The modern day field of Computational Fluid Dynamics (CFD) is a continuation of the growth in analytical capability and the digital mathematics needed to solve the more rigorous form of the flow equations. Some of the technical and managerial challenges that result from rapidly developing CFD capabilites, some of the steps being taken by the Fort Worth Division of General Dynamics to meet these challenges, and some of the specific areas of application for high performance air vehicles are presented.

  3. Computational dynamics of acoustically driven microsphere systems

    NASA Astrophysics Data System (ADS)

    Glosser, Connor; Piermarocchi, Carlo; Li, Jie; Dault, Dan; Shanker, B.

    2016-01-01

    We propose a computational framework for the self-consistent dynamics of a microsphere system driven by a pulsed acoustic field in an ideal fluid. Our framework combines a molecular dynamics integrator describing the dynamics of the microsphere system with a time-dependent integral equation solver for the acoustic field that makes use of fields represented as surface expansions in spherical harmonic basis functions. The presented approach allows us to describe the interparticle interaction induced by the field as well as the dynamics of trapping in counter-propagating acoustic pulses. The integral equation formulation leads to equations of motion for the microspheres describing the effect of nondissipative drag forces. We show (1) that the field-induced interactions between the microspheres give rise to effective dipolar interactions, with effective dipoles defined by their velocities and (2) that the dominant effect of an ultrasound pulse through a cloud of microspheres gives rise mainly to a translation of the system, though we also observe both expansion and contraction of the cloud determined by the initial system geometry.

  4. Computational dynamics of acoustically driven microsphere systems.

    PubMed

    Glosser, Connor; Piermarocchi, Carlo; Li, Jie; Dault, Dan; Shanker, B

    2016-01-01

    We propose a computational framework for the self-consistent dynamics of a microsphere system driven by a pulsed acoustic field in an ideal fluid. Our framework combines a molecular dynamics integrator describing the dynamics of the microsphere system with a time-dependent integral equation solver for the acoustic field that makes use of fields represented as surface expansions in spherical harmonic basis functions. The presented approach allows us to describe the interparticle interaction induced by the field as well as the dynamics of trapping in counter-propagating acoustic pulses. The integral equation formulation leads to equations of motion for the microspheres describing the effect of nondissipative drag forces. We show (1) that the field-induced interactions between the microspheres give rise to effective dipolar interactions, with effective dipoles defined by their velocities and (2) that the dominant effect of an ultrasound pulse through a cloud of microspheres gives rise mainly to a translation of the system, though we also observe both expansion and contraction of the cloud determined by the initial system geometry. PMID:26871188

  5. Shuttle rocket booster computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Chung, T. J.; Park, O. Y.

    1988-01-01

    Additional results and a revised and improved computer program listing from the shuttle rocket booster computational fluid dynamics formulations are presented. Numerical calculations for the flame zone of solid propellants are carried out using the Galerkin finite elements, with perturbations expanded to the zeroth, first, and second orders. The results indicate that amplification of oscillatory motions does indeed prevail in high frequency regions. For the second order system, the trend is similar to the first order system for low frequencies, but instabilities may appear at frequencies lower than those of the first order system. The most significant effect of the second order system is that the admittance is extremely oscillatory between moderately high frequency ranges.

  6. Computational fluid dynamics of reaction injection moulding

    NASA Astrophysics Data System (ADS)

    Mateus, Artur; Mitchell, Geoffrey; Bártolo, Paulo

    2012-09-01

    The modern approach to the development of moulds for injection moulding (Reaction Injection Moulding - RIM, Thermoplastic Injection Moulding - TIM and others) differs from the conventional approach based exclusively on the designer's experience and hypotheses. The increasingly complexityof moulds and the requirement by the clients for the improvement of their quality, shorter delivery times, and lower prices, demand the development of novel approaches to developed optimal moulds and moulded parts. The development of more accurate computational tools is fundamental to optimize both, the injection mouldingprocesses and the design, quality and durability of the moulds. This paper focuses on the RIM process proposing a novel thermo-rheo-kinetic model. The proposed model was implemented in generalpurpose Computational Fluid Dynamics (CFD) software. The model enables to accurately describe both flow and curing stages. Simulation results were validated against experimental results.

  7. LaRC computational dynamics overview

    NASA Technical Reports Server (NTRS)

    Husner, J. M.

    1989-01-01

    Present research centers on the development of advanced computational methods for transient simulation analyses. Aircraft, launch vehicles and space structure components are potential applications, but primary focus is presently on large space structures. There are both in-house and out-of-house activities. The in-house activity centers around the development of a multibody simulation tool for truss-like structures called LATDYN for Large Angle Transient DYNamics. Multibody analysis involves articulation of structural components as well as robotic maneuvers. These items are necessary for construction (erection or deployment) of large space structures in orbit and the carrying out of certain operations on board the space station. Thus, part of the in-house activity involves the development of methods which treat the changing mass, stiffness and constraints associated with articulating systems. The out-of-house activity involves subcycling, development of large deformation/motion beam formulation, constraint stabilization and direct time integration transient algorithms in parallel computing.

  8. Computational fluid dynamics in cardiovascular disease.

    PubMed

    Lee, Byoung-Kwon

    2011-08-01

    Computational fluid dynamics (CFD) is a mechanical engineering field for analyzing fluid flow, heat transfer, and associated phenomena, using computer-based simulation. CFD is a widely adopted methodology for solving complex problems in many modern engineering fields. The merit of CFD is developing new and improved devices and system designs, and optimization is conducted on existing equipment through computational simulations, resulting in enhanced efficiency and lower operating costs. However, in the biomedical field, CFD is still emerging. The main reason why CFD in the biomedical field has lagged behind is the tremendous complexity of human body fluid behavior. Recently, CFD biomedical research is more accessible, because high performance hardware and software are easily available with advances in computer science. All CFD processes contain three main components to provide useful information, such as pre-processing, solving mathematical equations, and post-processing. Initial accurate geometric modeling and boundary conditions are essential to achieve adequate results. Medical imaging, such as ultrasound imaging, computed tomography, and magnetic resonance imaging can be used for modeling, and Doppler ultrasound, pressure wire, and non-invasive pressure measurements are used for flow velocity and pressure as a boundary condition. Many simulations and clinical results have been used to study congenital heart disease, heart failure, ventricle function, aortic disease, and carotid and intra-cranial cerebrovascular diseases. With decreasing hardware costs and rapid computing times, researchers and medical scientists may increasingly use this reliable CFD tool to deliver accurate results. A realistic, multidisciplinary approach is essential to accomplish these tasks. Indefinite collaborations between mechanical engineers and clinical and medical scientists are essential. CFD may be an important methodology to understand the pathophysiology of the development and

  9. Two-phase computational fluid dynamics

    SciTech Connect

    Rothe, P.H.

    1991-07-26

    The results of the project illustrate the feasibility of multiphase computerized fluid dynamics (CFD) software. Existing CFD software is capable of simulating particle fields, certain droplet fields, and certain free surface flows, and does so routinely in engineering applications. Stratified flows can be addressed by a multiphase CFD code, once one is developed with suitable capabilities. The groundwork for such a code has been laid. Calculations performed for stratified flows demonstrate the accuracy achievable and the convergence of the methodology. Extension of the stratified flow methodology to other segregated flows such as slug or annular faces no inherent limits. The research has commercial application in the development of multiphase CFD computer programs.

  10. Computational Fluid Dynamics Technology for Hypersonic Applications

    NASA Technical Reports Server (NTRS)

    Gnoffo, Peter A.

    2003-01-01

    Several current challenges in computational fluid dynamics and aerothermodynamics for hypersonic vehicle applications are discussed. Example simulations are presented from code validation and code benchmarking efforts to illustrate capabilities and limitations. Opportunities to advance the state-of-art in algorithms, grid generation and adaptation, and code validation are identified. Highlights of diverse efforts to address these challenges are then discussed. One such effort to re-engineer and synthesize the existing analysis capability in LAURA, VULCAN, and FUN3D will provide context for these discussions. The critical (and evolving) role of agile software engineering practice in the capability enhancement process is also noted.

  11. Computational Fluid Dynamics Symposium on Aeropropulsion

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Recognizing the considerable advances that have been made in computational fluid dynamics, the Internal Fluid Mechanics Division of NASA Lewis Research Center sponsored this symposium with the objective of providing a forum for exchanging information regarding recent developments in numerical methods, physical and chemical modeling, and applications. This conference publication is a compilation of 4 invited and 34 contributed papers presented in six sessions: algorithms one and two, turbomachinery, turbulence, components application, and combustors. Topics include numerical methods, grid generation, chemically reacting flows, turbulence modeling, inlets, nozzles, and unsteady flows.

  12. Computational fluid dynamics symposium on aeropropulsion

    SciTech Connect

    Not Available

    1991-01-01

    Recognizing the considerable advances that have been made in computational fluid dynamics, the Internal Fluid Mechanics Division of NASA Lewis Research Center sponsored this symposium with the objective of providing a forum for exchanging information regarding recent developments in numerical methods, physical and chemical modeling, and applications. This conference publication is a compilation of 4 invited and 34 contributed papers presented in six sessions: algorithms one and two, turbomachinery, turbulence, components application, and combustors. Topics include numerical methods, grid generation, chemically reacting flows, turbulence modeling, inlets, nozzles, and unsteady flows.

  13. High performance computations using dynamical nucleation theory

    NASA Astrophysics Data System (ADS)

    Windus, T. L.; Kathmann, S. M.; Crosby, L. D.

    2008-07-01

    Chemists continue to explore the use of very large computations to perform simulations that describe the molecular level physics of critical challenges in science. In this paper, we describe the Dynamical Nucleation Theory Monte Carlo (DNTMC) model - a model for determining molecular scale nucleation rate constants - and its parallel capabilities. The potential for bottlenecks and the challenges to running on future petascale or larger resources are delineated. A 'master-slave' solution is proposed to scale to the petascale and will be developed in the NWChem software. In addition, mathematical and data analysis challenges are described.

  14. Dynamic compressive behavior of human meniscus correlates with its extra-cellular matrix composition.

    PubMed

    Bursac, P; Arnoczky, S; York, A

    2009-01-01

    The menisci of the knee play a significant role in the complex biomechanics of the joint and are critically important in maintaining articular cartilage health. While a general form-function relationship has been identified for the structural orientation of the extra-cellular matrix of the meniscus, the role of individual biochemical components has yet to be fully explored. To determine if correlations exist between the dynamic and static compressive modulus of human menisci and their major extra-cellular matrix constituents (collagen, glycosoaminoglycan and water content), 12 lateral and 11 medial menisci from 13 adult donors were examined. The results showed that in dynamic compression at high loading frequencies (0.1-1 Hz) the menisci behave as a rubber-like elastic material while at lower frequencies (0.01-0.03 Hz) significant viscous dissipation occurs. While regional variations in compressive moduli and extra-cellular matrix composition were observed, the magnitude of both dynamic and static compressive moduli were found to be insensitive to collagen content (p>0.4). However, this magnitude was found to significantly increase with increasing glycosaminoglycan content (p<0.001) and significantly decrease with increasing water content (p<0.001). The results of this study identify significant relationships between the viscoelastic behavior of the meniscus and its extra-cellular matrix composition. PMID:19581729

  15. Verification and Validation in Computational Fluid Dynamics

    SciTech Connect

    OBERKAMPF, WILLIAM L.; TRUCANO, TIMOTHY G.

    2002-03-01

    Verification and validation (V and V) are the primary means to assess accuracy and reliability in computational simulations. This paper presents an extensive review of the literature in V and V in computational fluid dynamics (CFD), discusses methods and procedures for assessing V and V, and develops a number of extensions to existing ideas. The review of the development of V and V terminology and methodology points out the contributions from members of the operations research, statistics, and CFD communities. Fundamental issues in V and V are addressed, such as code verification versus solution verification, model validation versus solution validation, the distinction between error and uncertainty, conceptual sources of error and uncertainty, and the relationship between validation and prediction. The fundamental strategy of verification is the identification and quantification of errors in the computational model and its solution. In verification activities, the accuracy of a computational solution is primarily measured relative to two types of highly accurate solutions: analytical solutions and highly accurate numerical solutions. Methods for determining the accuracy of numerical solutions are presented and the importance of software testing during verification activities is emphasized.

  16. Computational models of atrial cellular electrophysiology and calcium handling, and their role in atrial fibrillation.

    PubMed

    Heijman, Jordi; Erfanian Abdoust, Pegah; Voigt, Niels; Nattel, Stanley; Dobrev, Dobromir

    2016-02-01

    The complexity of the heart makes an intuitive understanding of the relative contribution of ion channels, transporters and signalling pathways to cardiac electrophysiology challenging. Computational modelling of cardiac cellular electrophysiology has proven useful to integrate experimental findings, extrapolate results obtained in expression systems or animal models to other systems, test quantitatively ideas based on experimental data and provide novel hypotheses that are experimentally testable. While the bulk of computational modelling has traditionally been directed towards ventricular bioelectricity, increasing recognition of the clinical importance of atrial arrhythmias, particularly atrial fibrillation, has led to widespread efforts to apply computational approaches to understanding atrial electrical function. The increasing availability of detailed, atrial-specific experimental data has stimulated the development of novel computational models of atrial-cellular electrophysiology and Ca(2+) handling. To date, more than 300 studies have employed mathematical simulations to enhance our understanding of atrial electrophysiology, arrhythmogenesis and therapeutic responses. Future modelling studies are likely to move beyond current whole-cell models by incorporating new data on subcellular architecture, macromolecular protein complexes, and localized ion-channel regulation by signalling pathways. At the same time, more integrative multicellular models that take into account regional electrophysiological and Ca(2+) handling properties, mechano-electrical feedback and/or autonomic regulation will be needed to investigate the mechanisms governing atrial arrhythmias. A combined experimental and computational approach is expected to provide the more comprehensive understanding of atrial arrhythmogenesis that is required to develop improved diagnostic and therapeutic options. Here, we review this rapidly expanding area, with a particular focus on Ca(2+) handling, and

  17. Direct modeling for computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Xu, Kun

    2015-06-01

    All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct

  18. Utilizing parallel optimization in computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Kokkolaras, Michael

    1998-12-01

    General problems of interest in computational fluid dynamics are investigated by means of optimization. Specifically, in the first part of the dissertation, a method of optimal incremental function approximation is developed for the adaptive solution of differential equations. Various concepts and ideas utilized by numerical techniques employed in computational mechanics and artificial neural networks (e.g. function approximation and error minimization, variational principles and weighted residuals, and adaptive grid optimization) are combined to formulate the proposed method. The basis functions and associated coefficients of a series expansion, representing the solution, are optimally selected by a parallel direct search technique at each step of the algorithm according to appropriate criteria; the solution is built sequentially. In this manner, the proposed method is adaptive in nature, although a grid is neither built nor adapted in the traditional sense using a-posteriori error estimates. Variational principles are utilized for the definition of the objective function to be extremized in the associated optimization problems, ensuring that the problem is well-posed. Complicated data structures and expensive remeshing algorithms and systems solvers are avoided. Computational efficiency is increased by using low-order basis functions and concurrent computing. Numerical results and convergence rates are reported for a range of steady-state problems, including linear and nonlinear differential equations associated with general boundary conditions, and illustrate the potential of the proposed method. Fluid dynamics applications are emphasized. Conclusions are drawn by discussing the method's limitations, advantages, and possible extensions. The second part of the dissertation is concerned with the optimization of the viscous-inviscid-interaction (VII) mechanism in an airfoil flow analysis code. The VII mechanism is based on the concept of a transpiration velocity

  19. Traffic dynamics of an on-ramp system with a cellular automaton model

    NASA Astrophysics Data System (ADS)

    Li, Xin-Gang; Gao, Zi-You; Jia, Bin; Jiang, Rui

    2010-06-01

    This paper uses the cellular automaton model to study the dynamics of traffic flow around an on-ramp with an acceleration lane. It adopts a parameter, which can reflect different lane-changing behaviour, to represent the diversity of driving behaviour. The refined cellular automaton model is used to describe the lower acceleration rate of a vehicle. The phase diagram and the capacity of the on-ramp system are investigated. The simulation results show that in the single cell model, the capacity of the on-ramp system will stay at the highest flow of a one lane system when the driver is moderate and careful; it will be reduced when the driver is aggressive. In the refined cellular automaton model, the capacity is always reduced even when the driver is careful. It proposes that the capacity drop of the on-ramp system is caused by aggressive lane-changing behaviour and lower acceleration rate.

  20. Asymmetrical Inheritance of Plasmids Depends on Dynamic Cellular Geometry and Volume Exclusion Effects

    PubMed Central

    Marquez-Lago, Tatiana T.

    2015-01-01

    The asymmetrical inheritance of plasmid DNA, as well as other cellular components, has been shown to be involved in replicative aging. In Saccharomyces cerevisiae, there is an ongoing debate regarding the mechanisms underlying this important asymmetry. Currently proposed models suggest it is established via diffusion, but differ on whether a diffusion barrier is necessary or not. However, no study so far incorporated key aspects to segregation, such as dynamic morphology changes throughout anaphase or plasmids size. Here, we determine the distinct effects and contributions of individual cellular variability, plasmid volume and moving boundaries in the asymmetric segregation of plasmids. We do this by measuring cellular nuclear geometries and plasmid diffusion rates with confocal microscopy, subsequently incorporating this data into a growing domain stochastic spatial simulator. Our modelling and simulations confirms that plasmid asymmetrical inheritance does not require an active barrier to diffusion, and provides a full analysis on plasmid size effects. PMID:26468952

  1. Asymmetrical Inheritance of Plasmids Depends on Dynamic Cellular Geometry and Volume Exclusion Effects.

    PubMed

    Denton, Jai A; Ghosh, Atiyo; Marquez-Lago, Tatiana T

    2015-01-01

    The asymmetrical inheritance of plasmid DNA, as well as other cellular components, has been shown to be involved in replicative aging. In Saccharomyces cerevisiae, there is an ongoing debate regarding the mechanisms underlying this important asymmetry. Currently proposed models suggest it is established via diffusion, but differ on whether a diffusion barrier is necessary or not. However, no study so far incorporated key aspects to segregation, such as dynamic morphology changes throughout anaphase or plasmids size. Here, we determine the distinct effects and contributions of individual cellular variability, plasmid volume and moving boundaries in the asymmetric segregation of plasmids. We do this by measuring cellular nuclear geometries and plasmid diffusion rates with confocal microscopy, subsequently incorporating this data into a growing domain stochastic spatial simulator. Our modelling and simulations confirms that plasmid asymmetrical inheritance does not require an active barrier to diffusion, and provides a full analysis on plasmid size effects. PMID:26468952

  2. Efficient gradient computation for dynamical models

    PubMed Central

    Sengupta, B.; Friston, K.J.; Penny, W.D.

    2014-01-01

    Data assimilation is a fundamental issue that arises across many scales in neuroscience — ranging from the study of single neurons using single electrode recordings to the interaction of thousands of neurons using fMRI. Data assimilation involves inverting a generative model that can not only explain observed data but also generate predictions. Typically, the model is inverted or fitted using conventional tools of (convex) optimization that invariably extremise some functional — norms, minimum descriptive length, variational free energy, etc. Generally, optimisation rests on evaluating the local gradients of the functional to be optimized. In this paper, we compare three different gradient estimation techniques that could be used for extremising any functional in time — (i) finite differences, (ii) forward sensitivities and a method based on (iii) the adjoint of the dynamical system. We demonstrate that the first-order gradients of a dynamical system, linear or non-linear, can be computed most efficiently using the adjoint method. This is particularly true for systems where the number of parameters is greater than the number of states. For such systems, integrating several sensitivity equations – as required with forward sensitivities – proves to be most expensive, while finite-difference approximations have an intermediate efficiency. In the context of neuroimaging, adjoint based inversion of dynamical causal models (DCMs) can, in principle, enable the study of models with large numbers of nodes and parameters. PMID:24769182

  3. Visualization of Unsteady Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Haimes, Robert

    1997-01-01

    The current compute environment that most researchers are using for the calculation of 3D unsteady Computational Fluid Dynamic (CFD) results is a super-computer class machine. The Massively Parallel Processors (MPP's) such as the 160 node IBM SP2 at NAS and clusters of workstations acting as a single MPP (like NAS's SGI Power-Challenge array and the J90 cluster) provide the required computation bandwidth for CFD calculations of transient problems. If we follow the traditional computational analysis steps for CFD (and we wish to construct an interactive visualizer) we need to be aware of the following: (1) Disk space requirements. A single snap-shot must contain at least the values (primitive variables) stored at the appropriate locations within the mesh. For most simple 3D Euler solvers that means 5 floating point words. Navier-Stokes solutions with turbulence models may contain 7 state-variables. (2) Disk speed vs. Computational speeds. The time required to read the complete solution of a saved time frame from disk is now longer than the compute time for a set number of iterations from an explicit solver. Depending, on the hardware and solver an iteration of an implicit code may also take less time than reading the solution from disk. If one examines the performance improvements in the last decade or two, it is easy to see that depending on disk performance (vs. CPU improvement) may not be the best method for enhancing interactivity. (3) Cluster and Parallel Machine I/O problems. Disk access time is much worse within current parallel machines and cluster of workstations that are acting in concert to solve a single problem. In this case we are not trying to read the volume of data, but are running the solver and the solver outputs the solution. These traditional network interfaces must be used for the file system. (4) Numerics of particle traces. Most visualization tools can work upon a single snap shot of the data but some visualization tools for transient

  4. Glass-like dynamics in the cell and in cellular collectives

    PubMed Central

    Sadati, Monirosadat; Nourhani, Amir; Qazvini, Nader Taheri

    2014-01-01

    Prominent fluctuations, heterogeneity, and cooperativity dominate the dynamics of the cytoskeleton as well as the dynamics of the cellular collective. Such systems are out of equilibrium, disordered, and remain poorly understood. To explain these findings, here we consider a unifying mechanistic rubric that imagines these systems as comprising phases of soft condensed matter in proximity to a glass or jamming transition, with associated transitions between solid-like versus liquid-like phases. At the scale of the cytoskeleton, data suggest that intermittent dynamics, kinetic arrest and dynamic heterogeneity represent meso-scale features of glassy protein-protein interactions that link underlying biochemical events to integrative cellular behaviors such as crawling, contraction, and remodeling. At the scale of the multicellular collective, jamming has the potential to unify diverse biological factors that previously had been considered mostly as acting separately and independently. Although a quantitative relationship between intra- and intercellular dynamics is still lacking, glassy dynamics and jamming offer insights linking the mechanobiology of cell to human physiology and pathophysiology. PMID:24431332

  5. An investigation of cellular dynamics during the development of intramembranous bones: the scleral ossicles

    PubMed Central

    Jabalee, J; Hillier, S; Franz-Odendaal, T A

    2013-01-01

    The development of intramembranous bone is a dynamic and complex process requiring highly coordinated cellular activities. Although the literature describes the detailed cellular dynamics of early mesoderm-derived endochondral bone, studies regarding neural crest-derived intramembranous bone have failed to keep pace. We analyzed the development of chick scleral ossicles from the onset of osteoid deposition to mineralization at morphological, histological, and ultrastructural levels. We find that the mesenchymal condensations from which ossicles develop change their shape from ellipsoidal to trapezoidal concurrent with an increase in size. Furthermore, the size of an ossicle is dependent upon its time of induction. Our histological analyses of condensation growth reveal cell migration and osteoid secretion as key cellular processes determining condensation size; these processes occur concomitantly to increase both the area and thickness of condensations. We also describe the formation of the zone of overlap between ossicles and conclude that the process is similar to that of cranial suture formation. Finally, transmission electron microscopy of early condensations demonstrates that early osteoblasts secrete collagen parallel to the long axis of the condensation. This study elucidates fundamental mechanisms of intramembranous bone development at the cellular level, furthering our knowledge of this important process among vertebrates. PMID:23930967

  6. An investigation of cellular dynamics during the development of intramembranous bones: the scleral ossicles.

    PubMed

    Jabalee, J; Hillier, S; Franz-Odendaal, T A

    2013-10-01

    The development of intramembranous bone is a dynamic and complex process requiring highly coordinated cellular activities. Although the literature describes the detailed cellular dynamics of early mesoderm-derived endochondral bone, studies regarding neural crest-derived intramembranous bone have failed to keep pace. We analyzed the development of chick scleral ossicles from the onset of osteoid deposition to mineralization at morphological, histological, and ultrastructural levels. We find that the mesenchymal condensations from which ossicles develop change their shape from ellipsoidal to trapezoidal concurrent with an increase in size. Furthermore, the size of an ossicle is dependent upon its time of induction. Our histological analyses of condensation growth reveal cell migration and osteoid secretion as key cellular processes determining condensation size; these processes occur concomitantly to increase both the area and thickness of condensations. We also describe the formation of the zone of overlap between ossicles and conclude that the process is similar to that of cranial suture formation. Finally, transmission electron microscopy of early condensations demonstrates that early osteoblasts secrete collagen parallel to the long axis of the condensation. This study elucidates fundamental mechanisms of intramembranous bone development at the cellular level, furthering our knowledge of this important process among vertebrates. PMID:23930967

  7. Dynamic Finite Element Predictions for Mars Sample Return Cellular Impact Test #4

    NASA Technical Reports Server (NTRS)

    Fasanella, Edwin L.; Billings, Marcus D.

    2001-01-01

    The nonlinear, transient dynamic finite element code, MSC.Dytran, was used to simulate an impact test of an energy absorbing Earth Entry Vehicle (EEV) that will impact without a parachute. EEVOs are designed to return materials from asteroids, comets, or planets for laboratory analysis on Earth. The EEV concept uses an energy absorbing cellular structure designed to contain and limit the acceleration of space exploration samples during Earth impact. The spherical shaped cellular structure is composed of solid hexagonal and pentagonal foam-filled cells with hybrid graphite-epoxy/Kevlar cell walls. Space samples fit inside a smaller sphere at the center of the EEVOs cellular structure. Pre-test analytical predictions were compared with the test results from a bungee accelerator. The model used to represent the foam and the proper failure criteria for the cell walls were critical in predicting the impact loads of the cellular structure. It was determined that a FOAM1 model for the foam and a 20% failure strain criteria for the cell walls gave an accurate prediction of the acceleration pulse for cellular impact.

  8. Dynamics of cellular immune responses in the acute phase of dengue virus infection.

    PubMed

    Yoshida, Tomoyuki; Omatsu, Tsutomu; Saito, Akatsuki; Katakai, Yuko; Iwasaki, Yuki; Kurosawa, Terue; Hamano, Masataka; Higashino, Atsunori; Nakamura, Shinichiro; Takasaki, Tomohiko; Yasutomi, Yasuhiro; Kurane, Ichiro; Akari, Hirofumi

    2013-06-01

    In this study, we examined the dynamics of cellular immune responses in the acute phase of dengue virus (DENV) infection in a marmoset model. Here, we found that DENV infection in marmosets greatly induced responses of CD4/CD8 central memory T and NKT cells. Interestingly, the strength of the immune response was greater in animals infected with a dengue fever strain than in those infected with a dengue hemorrhagic fever strain of DENV. In contrast, when animals were re-challenged with the same DENV strain used for primary infection, the neutralizing antibody induced appeared to play a critical role in sterilizing inhibition against viral replication, resulting in strong but delayed responses of CD4/CD8 central memory T and NKT cells. The results in this study may help to better understand the dynamics of cellular and humoral immune responses in the control of DENV infection. PMID:23381396

  9. Evidence for complex, collective dynamics and emergent, distributed computation in plants.

    PubMed

    Peak, David; West, Jevin D; Messinger, Susanna M; Mott, Keith A

    2004-01-27

    It has been suggested that some biological processes are equivalent to computation, but quantitative evidence for that view is weak. Plants must solve the problem of adjusting stomatal apertures to allow sufficient CO(2) uptake for photosynthesis while preventing excessive water loss. Under some conditions, stomatal apertures become synchronized into patches that exhibit richly complicated dynamics, similar to behaviors found in cellular automata that perform computational tasks. Using sequences of chlorophyll fluorescence images from leaves of Xanthium strumarium L. (cocklebur), we quantified spatial and temporal correlations in stomatal dynamics. Our values are statistically indistinguishable from those of the same correlations found in the dynamics of automata that compute. These results are consistent with the proposition that a plant solves its optimal gas exchange problem through an emergent, distributed computation performed by its leaves. PMID:14732685

  10. Verification and validation in computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Oberkampf, William L.; Trucano, Timothy G.

    2002-04-01

    Verification and validation (V&V) are the primary means to assess accuracy and reliability in computational simulations. This paper presents an extensive review of the literature in V&V in computational fluid dynamics (CFD), discusses methods and procedures for assessing V&V, and develops a number of extensions to existing ideas. The review of the development of V&V terminology and methodology points out the contributions from members of the operations research, statistics, and CFD communities. Fundamental issues in V&V are addressed, such as code verification versus solution verification, model validation versus solution validation, the distinction between error and uncertainty, conceptual sources of error and uncertainty, and the relationship between validation and prediction. The fundamental strategy of verification is the identification and quantification of errors in the computational model and its solution. In verification activities, the accuracy of a computational solution is primarily measured relative to two types of highly accurate solutions: analytical solutions and highly accurate numerical solutions. Methods for determining the accuracy of numerical solutions are presented and the importance of software testing during verification activities is emphasized. The fundamental strategy of validation is to assess how accurately the computational results compare with the experimental data, with quantified error and uncertainty estimates for both. This strategy employs a hierarchical methodology that segregates and simplifies the physical and coupling phenomena involved in the complex engineering system of interest. A hypersonic cruise missile is used as an example of how this hierarchical structure is formulated. The discussion of validation assessment also encompasses a number of other important topics. A set of guidelines is proposed for designing and conducting validation experiments, supported by an explanation of how validation experiments are different

  11. Domain decomposition methods in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Gropp, William D.; Keyes, David E.

    1992-01-01

    The divide-and-conquer paradigm of iterative domain decomposition, or substructuring, has become a practical tool in computational fluid dynamic applications because of its flexibility in accommodating adaptive refinement through locally uniform (or quasi-uniform) grids, its ability to exploit multiple discretizations of the operator equations, and the modular pathway it provides towards parallelism. These features are illustrated on the classic model problem of flow over a backstep using Newton's method as the nonlinear iteration. Multiple discretizations (second-order in the operator and first-order in the preconditioner) and locally uniform mesh refinement pay dividends separately, and they can be combined synergistically. Sample performance results are included from an Intel iPSC/860 hypercube implementation.

  12. Domain decomposition methods in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Gropp, William D.; Keyes, David E.

    1991-01-01

    The divide-and-conquer paradigm of iterative domain decomposition, or substructuring, has become a practical tool in computational fluid dynamic applications because of its flexibility in accommodating adaptive refinement through locally uniform (or quasi-uniform) grids, its ability to exploit multiple discretizations of the operator equations, and the modular pathway it provides towards parallelism. These features are illustrated on the classic model problem of flow over a backstep using Newton's method as the nonlinear iteration. Multiple discretizations (second-order in the operator and first-order in the preconditioner) and locally uniform mesh refinement pay dividends separately, and they can be combined synergistically. Sample performance results are included from an Intel iPSC/860 hypercube implementation.

  13. Computational fluid dynamics of airfoils and wings

    NASA Technical Reports Server (NTRS)

    Garabedian, P.; Mcfadden, G.

    1982-01-01

    It is pointed out that transonic flow is one of the fields where computational fluid dynamics turns out to be most effective. Codes for the design and analysis of supercritical airfoils and wings have become standard tools of the aircraft industry. The present investigation is concerned with mathematical models and theorems which account for some of the progress that has been made. The most successful aerodynamics codes are those for the analysis of flow at off-design conditions where weak shock waves appear. A major breakthrough was achieved by Murman and Cole (1971), who conceived of a retarded difference scheme which incorporates artificial viscosity to capture shocks in the supersonic zone. This concept has been used to develop codes for the analysis of transonic flow past a swept wing. Attention is given to the trailing edge and the boundary layer, entropy inequalities and wave drag, shockless airfoils, and the inverse swept wing code.

  14. High performance computations using dynamical nucleation theory

    SciTech Connect

    Windus, Theresa L.; Kathmann, Shawn M.; Crosby, Lonnie D.

    2008-07-14

    Chemists continue to explore the use of very large computations to perform simulations that describe the molecular level physics of critical challenges in science. In this paper, the Dynamical Nucleation Theory Monte Carlo (DNTMC) model - a model for determining molecular scale nucleation rate constants - and its parallel capabilities are described. The potential for bottlenecks and the challenges to running on future petascale or larger resources are delineated. A "master-slave" solution is proposed to scale to the petascale and will be developed in the NWChem software. In addition, mathematical and data analysis challenges are also described. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  15. Lectures series in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Thompson, Kevin W.

    1987-01-01

    The lecture notes cover the basic principles of computational fluid dynamics (CFD). They are oriented more toward practical applications than theory, and are intended to serve as a unified source for basic material in the CFD field as well as an introduction to more specialized topics in artificial viscosity and boundary conditions. Each chapter in the test is associated with a videotaped lecture. The basic properties of conservation laws, wave equations, and shock waves are described. The duality of the conservation law and wave representations is investigated, and shock waves are examined in some detail. Finite difference techniques are introduced for the solution of wave equations and conservation laws. Stability analysis for finite difference approximations are presented. A consistent description of artificial viscosity methods are provided. Finally, the problem of nonreflecting boundary conditions are treated.

  16. Domain decomposition algorithms and computation fluid dynamics

    NASA Technical Reports Server (NTRS)

    Chan, Tony F.

    1988-01-01

    In the past several years, domain decomposition was a very popular topic, partly motivated by the potential of parallelization. While a large body of theory and algorithms were developed for model elliptic problems, they are only recently starting to be tested on realistic applications. The application of some of these methods to two model problems in computational fluid dynamics are investigated. Some examples are two dimensional convection-diffusion problems and the incompressible driven cavity flow problem. The construction and analysis of efficient preconditioners for the interface operator to be used in the iterative solution of the interface solution is described. For the convection-diffusion problems, the effect of the convection term and its discretization on the performance of some of the preconditioners is discussed. For the driven cavity problem, the effectiveness of a class of boundary probe preconditioners is discussed.

  17. Artificial Intelligence In Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Vogel, Alison Andrews

    1991-01-01

    Paper compares four first-generation artificial-intelligence (Al) software systems for computational fluid dynamics. Includes: Expert Cooling Fan Design System (EXFAN), PAN AIR Knowledge System (PAKS), grid-adaptation program MITOSIS, and Expert Zonal Grid Generation (EZGrid). Focuses on knowledge-based ("expert") software systems. Analyzes intended tasks, kinds of knowledge possessed, magnitude of effort required to codify knowledge, how quickly constructed, performances, and return on investment. On basis of comparison, concludes Al most successful when applied to well-formulated problems solved by classifying or selecting preenumerated solutions. In contrast, application of Al to poorly understood or poorly formulated problems generally results in long development time and large investment of effort, with no guarantee of success.

  18. Computational modeling of intraocular gas dynamics.

    PubMed

    Noohi, P; Abdekhodaie, M J; Cheng, Y L

    2015-01-01

    The purpose of this study was to develop a computational model to simulate the dynamics of intraocular gas behavior in pneumatic retinopexy (PR) procedure. The presented model predicted intraocular gas volume at any time and determined the tolerance angle within which a patient can maneuver and still gas completely covers the tear(s). Computational fluid dynamics calculations were conducted to describe PR procedure. The geometrical model was constructed based on the rabbit and human eye dimensions. SF6 in the form of pure and diluted with air was considered as the injected gas. The presented results indicated that the composition of the injected gas affected the gas absorption rate and gas volume. After injection of pure SF6, the bubble expanded to 2.3 times of its initial volume during the first 23 h, but when diluted SF6 was used, no significant expansion was observed. Also, head positioning for the treatment of retinal tear influenced the rate of gas absorption. Moreover, the determined tolerance angle depended on the bubble and tear size. More bubble expansion and smaller retinal tear caused greater tolerance angle. For example, after 23 h, for the tear size of 2 mm the tolerance angle of using pure SF6 is 1.4 times more than that of using diluted SF6 with 80% air. Composition of the injected gas and conditions of the tear in PR may dramatically affect the gas absorption rate and gas volume. Quantifying these effects helps to predict the tolerance angle and improve treatment efficiency. PMID:26682529

  19. Computational modeling of intraocular gas dynamics

    NASA Astrophysics Data System (ADS)

    Noohi, P.; Abdekhodaie, M. J.; Cheng, Y. L.

    2015-12-01

    The purpose of this study was to develop a computational model to simulate the dynamics of intraocular gas behavior in pneumatic retinopexy (PR) procedure. The presented model predicted intraocular gas volume at any time and determined the tolerance angle within which a patient can maneuver and still gas completely covers the tear(s). Computational fluid dynamics calculations were conducted to describe PR procedure. The geometrical model was constructed based on the rabbit and human eye dimensions. SF6 in the form of pure and diluted with air was considered as the injected gas. The presented results indicated that the composition of the injected gas affected the gas absorption rate and gas volume. After injection of pure SF6, the bubble expanded to 2.3 times of its initial volume during the first 23 h, but when diluted SF6 was used, no significant expansion was observed. Also, head positioning for the treatment of retinal tear influenced the rate of gas absorption. Moreover, the determined tolerance angle depended on the bubble and tear size. More bubble expansion and smaller retinal tear caused greater tolerance angle. For example, after 23 h, for the tear size of 2 mm the tolerance angle of using pure SF6 is 1.4 times more than that of using diluted SF6 with 80% air. Composition of the injected gas and conditions of the tear in PR may dramatically affect the gas absorption rate and gas volume. Quantifying these effects helps to predict the tolerance angle and improve treatment efficiency.

  20. Chromatin dynamics during cellular differentiation in the female reproductive lineage of flowering plants

    PubMed Central

    Baroux, Célia; Autran, Daphné

    2015-01-01

    Sexual reproduction in flowering plants offers a number of remarkable aspects to developmental biologists. First, the spore mother cells – precursors of the plant reproductive lineage – are specified late in development, as opposed to precocious germline isolation during embryogenesis in most animals. Second, unlike in most animals where meiosis directly produces gametes, plant meiosis entails the differentiation of a multicellular, haploid gametophyte, within which gametic as well as non-gametic accessory cells are formed. These observations raise the question of the factors inducing and modus operandi of cell fate transitions that originate in floral tissues and gametophytes, respectively. Cell fate transitions in the reproductive lineage imply cellular reprogramming operating at the physiological, cytological and transcriptome level, but also at the chromatin level. A number of observations point to large-scale chromatin reorganization events associated with cellular differentiation of the female spore mother cells and of the female gametes. These include a reorganization of the heterochromatin compartment, the genome-wide alteration of the histone modification landscape, and the remodeling of nucleosome composition. The dynamic expression of DNA methyltransferases and actors of small RNA pathways also suggest additional, global epigenetic alterations that remain to be characterized. Are these events a cause or a consequence of cellular differentiation, and how do they contribute to cell fate transition? Does chromatin dynamics induce competence for immediate cellular functions (meiosis, fertilization), or does it also contribute long-term effects in cellular identity and developmental competence of the reproductive lineage? This review attempts to review these fascinating questions. PMID:26031902

  1. Computational fluid dynamics of left ventricular ejection.

    PubMed

    Georgiadis, J G; Wang, M; Pasipoularides, A

    1992-01-01

    The present investigation addresses the effects of simple geometric variations on intraventricular ejection dynamics, by methods from computational fluid dynamics. It is an early step in incorporating more and more relevant characteristics of the ejection process, such as a continuously changing irregular geometry, in numerical simulations. We consider the effects of varying chamber eccentricities and outflow valve orifice-to-inner surface area ratios on instantaneous ejection gradients along the axis of symmetry of the left ventricle. The equation of motion for the streamfunction was discretized and solved iteratively with specified boundary conditions on a boundary-fitted adaptive grid, using an alternating-direction-implicit (ADI) algorithm. The unsteady aspects of the ejection process were subsequently introduced into the numerical simulation. It was shown that for given chamber volume and outflow orifice area, higher chamber eccentricities require higher ejection pressure gradients for the same velocity and local acceleration values at the aortic anulus than more spherical shapes. This finding is referable to the rise in local acceleration effects across the outflow axis. This is to be contrasted with the case of outflow orifice stenosis, in which it was shown that it is the convective acceleration effects that are intensified strongly. PMID:1562106

  2. Nonlinear ship waves and computational fluid dynamics

    PubMed Central

    MIYATA, Hideaki; ORIHARA, Hideo; SATO, Yohei

    2014-01-01

    Research works undertaken in the first author’s laboratory at the University of Tokyo over the past 30 years are highlighted. Finding of the occurrence of nonlinear waves (named Free-Surface Shock Waves) in the vicinity of a ship advancing at constant speed provided the start-line for the progress of innovative technologies in the ship hull-form design. Based on these findings, a multitude of the Computational Fluid Dynamic (CFD) techniques have been developed over this period, and are highlighted in this paper. The TUMMAC code has been developed for wave problems, based on a rectangular grid system, while the WISDAM code treats both wave and viscous flow problems in the framework of a boundary-fitted grid system. These two techniques are able to cope with almost all fluid dynamical problems relating to ships, including the resistance, ship’s motion and ride-comfort issues. Consequently, the two codes have contributed significantly to the progress in the technology of ship design, and now form an integral part of the ship-designing process. PMID:25311139

  3. Computational Fluid Dynamics - Applications in Manufacturing Processes

    NASA Astrophysics Data System (ADS)

    Beninati, Maria Laura; Kathol, Austin; Ziemian, Constance

    2012-11-01

    A new Computational Fluid Dynamics (CFD) exercise has been developed for the undergraduate introductory fluid mechanics course at Bucknell University. The goal is to develop a computational exercise that students complete which links the manufacturing processes course and the concurrent fluid mechanics course in a way that reinforces the concepts in both. In general, CFD is used as a tool to increase student understanding of the fundamentals in a virtual world. A ``learning factory,'' which is currently in development at Bucknell seeks to use the laboratory as a means to link courses that previously seemed to have little correlation at first glance. A large part of the manufacturing processes course is a project using an injection molding machine. The flow of pressurized molten polyurethane into the mold cavity can also be an example of fluid motion (a jet of liquid hitting a plate) that is applied in manufacturing. The students will run a CFD process that captures this flow using their virtual mold created with a graphics package, such as SolidWorks. The laboratory structure is currently being implemented and analyzed as a part of the ``learning factory''. Lastly, a survey taken before and after the CFD exercise demonstrate a better understanding of both the CFD and manufacturing process.

  4. Use of Computational Modeling to Evaluate Hypotheses About the Molecular and Cellular Mechanisms of Bystander Effects

    SciTech Connect

    Zhao, Yuchao; Conolly, Rory B; Andersen, Melvin E.

    2006-11-21

    This report describes the development of a computational systems biology approach to evaluate the hypotheses of molecular and cellular mechanisms of adaptive response to low dose ionizing radiation. Our concept is that computational models of signaling pathways can be developed and linked to biologically based dose response models to evaluate the underlying molecular mechanisms which lead to adaptive response. For development of quantitatively accurate, predictive models, it will be necessary to describe tissues consisting of multiple cell types where the different types each contribute in their own way to the overall function of the tissue. Such a model will probably need to incorporate not only cell type-specific data but also spatial information on the architecture of the tissue and on intercellular signaling. The scope of the current model was more limited. Data obtained in a number of different biological systems were synthesized to describe a chimeric, “average” population cell. Biochemical signaling pathways involved in sensing of DNA damage and in the activation of cell cycle checkpoint controls and the apoptotic path were also included. As with any computational modeling effort, it was necessary to develop these simplified initial descriptions (models) that can be iteratively refined. This preliminary model is a starting point which, with time, can evolve to a level of refinement where large amounts of detailed biological information are synthesized and a capability for robust predictions of dose- and time-response behaviors is obtained.

  5. Computing cellular automata spectra under fixed boundary conditions via limit graphs

    NASA Astrophysics Data System (ADS)

    Ruivo, Eurico L. P.; de Oliveira, Pedro P. B.

    2016-01-01

    Cellular automata are fully discrete complex systems with parallel and homogeneous behavior studied both from the theoretical and modeling viewpoints. The limit behaviors of such systems are of particular interest, as they give insight into their emerging properties. One possible approach to investigate such limit behaviors is the analysis of the growth of graphs describing the finite time behavior of a rule in order to infer its limit behavior. Another possibility is to study the Fourier spectrum describing the average limit configurations obtained by a rule. While the former approach gives the characterization of the limit configurations of a rule, the latter yields a qualitative and quantitative characterisation of how often particular blocks of states are present in these limit configurations. Since both approaches are closely related, it is tempting to use one to obtain information about the other. Here, limit graphs are automatically adjusted by configurations directly generated by their respective rules, and use the graphs to compute the spectra of their rules. We rely on a set of elementary cellular automata rules, on lattices with fixed boundary condition, and show that our approach is a more reliable alternative to a previously described method from the literature.

  6. Magneto-optical cellular chip model for intracellular orientational-dynamic-activity detection

    NASA Astrophysics Data System (ADS)

    Miyashita, Y.; Iwasaka, M.; Kurita, S.; Owada, N.

    2012-04-01

    In the present study, a magneto-optical cellular chip model (MoCCM) was developed to detect intracellular dynamics in macromolecules by using magneto-optical effects. For the purpose of cell-measurement under strong static magnetic fields of up to 10 T, we constructed a cellular chip model, which was a thin glass plate with a well for a cell culture. A cell line of osteoblast MC3T3-E1 was incubated in the glass well, and the well, 0.3 mm in depth, was sealed by a cover glass when the MoCCM was set in a fiber optic system. An initial intensity change of the polarized light transmission, which dispersed perpendicular to the cell's attaching surface, was collected for 10 to 60 min, and then magnetic fields were applied parallel and perpendicular to the surface and light direction, respectively. The magnetic birefringence signals that originated from the magnetic orientation of intracellular molecules such as cytoskeletons apparently appeared when the magnetic fields were constant at 10 T. A statistical analysis with 15 experiments confirmed that the cellular components under 10 T magnetic fields caused a stronger alignment, which was transferred into polarizing light intensity that increased more than the case before exposure. Cellular conditions such as generation and cell density affected the magnetic birefringence signals.

  7. Quantitative Characterization of Cellular Membrane-Receptor Heterogeneity through Statistical and Computational Modeling

    PubMed Central

    Weddell, Jared C.; Imoukhuede, P. I.

    2014-01-01

    Cell population heterogeneity can affect cellular response and is a major factor in drug resistance. However, there are few techniques available to represent and explore how heterogeneity is linked to population response. Recent high-throughput genomic, proteomic, and cellomic approaches offer opportunities for profiling heterogeneity on several scales. We have recently examined heterogeneity in vascular endothelial growth factor receptor (VEGFR) membrane localization in endothelial cells. We and others processed the heterogeneous data through ensemble averaging and integrated the data into computational models of anti-angiogenic drug effects in breast cancer. Here we show that additional modeling insight can be gained when cellular heterogeneity is considered. We present comprehensive statistical and computational methods for analyzing cellomic data sets and integrating them into deterministic models. We present a novel method for optimizing the fit of statistical distributions to heterogeneous data sets to preserve important data and exclude outliers. We compare methods of representing heterogeneous data and show methodology can affect model predictions up to 3.9-fold. We find that VEGF levels, a target for tuning angiogenesis, are more sensitive to VEGFR1 cell surface levels than VEGFR2; updating VEGFR1 levels in the tumor model gave a 64% change in free VEGF levels in the blood compartment, whereas updating VEGFR2 levels gave a 17% change. Furthermore, we find that subpopulations of tumor cells and tumor endothelial cells (tEC) expressing high levels of VEGFR (>35,000 VEGFR/cell) negate anti-VEGF treatments. We show that lowering the VEGFR membrane insertion rate for these subpopulations recovers the anti-angiogenic effect of anti-VEGF treatment, revealing new treatment targets for specific tumor cell subpopulations. This novel method of characterizing heterogeneous distributions shows for the first time how different representations of the same data set lead

  8. Methodology for Uncertainty Analysis of Dynamic Computational Toxicology Models

    EPA Science Inventory

    The task of quantifying the uncertainty in both parameter estimates and model predictions has become more important with the increased use of dynamic computational toxicology models by the EPA. Dynamic toxicological models include physiologically-based pharmacokinetic (PBPK) mode...

  9. Relating the sequential dynamics of excitatory neural networks to synaptic cellular automata.

    PubMed

    Nekorkin, V I; Dmitrichev, A S; Kasatkin, D V; Afraimovich, V S

    2011-12-01

    We have developed a new approach for the description of sequential dynamics of excitatory neural networks. Our approach is based on the dynamics of synapses possessing the short-term plasticity property. We suggest a model of such synapses in the form of a second-order system of nonlinear ODEs. In the framework of the model two types of responses are realized-the fast and the slow ones. Under some relations between their timescales a cellular automaton (CA) on the graph of connections is constructed. Such a CA has only a finite number of attractors and all of them are periodic orbits. The attractors of the CA determine the regimes of sequential dynamics of the original neural network, i.e., itineraries along the network and the times of successive firing of neurons in the form of bunches of spikes. We illustrate our approach on the example of a Morris-Lecar neural network. PMID:22225361

  10. Molecular modeling of the conformational dynamics of the cellular prion protein

    NASA Astrophysics Data System (ADS)

    Nguyen, Charles; Colling, Ian; Bartz, Jason; Soto, Patricia

    2014-03-01

    Prions are infectious agents responsible for transmissible spongiform encephalopathies (TSEs), a type of fatal neurodegenerative disease in mammals. Prions propagate biological information by conversion of the non-pathological version of the prion protein to the infectious conformation, PrPSc. A wealth of knowledge has shed light on the nature and mechanism of prion protein conversion. In spite of the significance of this problem, we are far from fully understanding the conformational dynamics of the cellular isoform. To remedy this situation we employ multiple biomolecular modeling techniques such as docking and molecular dynamics simulations to map the free energy landscape and determine what specific regions of the prion protein are most conductive to binding. The overall goal is to characterize the conformational dynamics of the cell form of the prion protein, PrPc, to gain insight into inhibition pathways against misfolding. NE EPSCoR FIRST Award to Patricia Soto.

  11. The spectral gap and the dynamical critical exponent of an exact solvable probabilistic cellular automaton

    NASA Astrophysics Data System (ADS)

    Lazo, M. J.; Ferreira, A. A.; Alcaraz, F. C.

    2015-11-01

    We obtained the exact solution of a probabilistic cellular automaton related to the diagonal-to-diagonal transfer matrix of the six-vertex model on a square lattice. The model describes the flow of ants (or particles), traveling on a one-dimensional lattice whose sites are small craters containing sleeping or awake ants (two kinds of particles). We found the Bethe ansatz equations and the spectral gap for the time-evolution operator of the cellular automaton. From the spectral gap we show that in the asymmetric case it belongs to the Kardar-Parisi-Zhang (KPZ) universality class, exhibiting a dynamical critical exponent value z = 3/2. This result is also obtained from a direct Monte Carlo simulation, by evaluating the lattice-size dependence of the decay time to the stationary state.

  12. Computational fluid dynamics modelling in cardiovascular medicine

    PubMed Central

    Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

    2016-01-01

    This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards ‘digital patient’ or ‘virtual physiological human’ representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. PMID:26512019

  13. Computational fluid dynamics modelling in cardiovascular medicine.

    PubMed

    Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

    2016-01-01

    This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. PMID:26512019

  14. Dynamic Finite Element Predictions for Mars Sample Return Cellular Impact Test #4

    NASA Technical Reports Server (NTRS)

    Fasanella, Edwin L.; Billings, Marcus D.

    2001-01-01

    The nonlinear finite element program MSC.Dytran was used to predict the impact pulse for (he drop test of an energy absorbing cellular structure. This pre-test simulation was performed to aid in the design of an energy absorbing concept for a highly reliable passive Earth Entry Vehicle (EEV) that will directly impact the Earth without a parachute. In addition, a goal of the simulation was to bound the acceleration pulse produced and delivered to the simulated space cargo container. EEV's are designed to return materials from asteroids, comets, or planets for laboratory analysis on Earth. The EEV concept uses an energy absorbing cellular structure designed to contain and limit the acceleration of space exploration samples during Earth impact. The spherical shaped cellular structure is composed of solid hexagonal and pentagonal foam-filled cells with hybrid graphite-epoxy/Kevlar cell walls. Space samples fit inside a smaller sphere at the enter of the EEV's cellular structure. The material models and failure criteria were varied to determine their effect on the resulting acceleration pulse. Pre-test analytical predictions using MSC.Dytran were compared with the test results obtained from impact test #4 using bungee accelerator located at the NASA Langley Research Center Impact Dynamics Research Facility. The material model used to represent the foam and the proper failure criteria for the cell walls were critical in predicting the impact loads of the cellular structure. It was determined that a FOAMI model for the foam and a 20% failure strain criteria for the cell walls gave an accurate prediction of the acceleration pulse for drop test #4.

  15. Molecular deconstruction, detection, and computational prediction of microenvironment-modulated cellular responses to cancer therapeutics

    PubMed Central

    LaBarge, Mark A; Parvin, Bahram; Lorens, James B

    2014-01-01

    The field of bioengineering has pioneered the application of new precision fabrication technologies to model the different geometric, physical or molecular components of tissue microenvironments on solid-state substrata. Tissue engineering approaches building on these advances are used to assemble multicellular mimetic-tissues where cells reside within defined spatial contexts. The functional responses of cells in fabricated microenvironments has revealed a rich interplay between the genome and extracellular effectors in determining cellular phenotypes, and in a number of cases has revealed the dominance of microenvironment over genotype. Precision bioengineered substrata are limited to a few aspects, whereas cell/tissue-derived microenvironments have many undefined components. Thus introducing a computational module may serve to integrate these types of platforms to create reasonable models of drug responses in human tissues. This review discusses how combinatorial microenvironment microarrays and other biomimetic microenvironments have revealed emergent properties of cells in particular microenvironmental contexts, the platforms that can measure phenotypic changes within those contexts, and the computational tools that can unify the microenvironment-imposed functional phenotypes with underlying constellations of proteins and genes. Ultimately we propose that a merger of these technologies will enable more accurate pre-clinical drug discovery. PMID:24582543

  16. Molecular deconstruction, detection, and computational prediction of microenvironment-modulated cellular responses to cancer therapeutics.

    PubMed

    Labarge, Mark A; Parvin, Bahram; Lorens, James B

    2014-04-01

    The field of bioengineering has pioneered the application of new precision fabrication technologies to model the different geometric, physical or molecular components of tissue microenvironments on solid-state substrata. Tissue engineering approaches building on these advances are used to assemble multicellular mimetic-tissues where cells reside within defined spatial contexts. The functional responses of cells in fabricated microenvironments have revealed a rich interplay between the genome and extracellular effectors in determining cellular phenotypes and in a number of cases have revealed the dominance of microenvironment over genotype. Precision bioengineered substrata are limited to a few aspects, whereas cell/tissue-derived microenvironments have many undefined components. Thus, introducing a computational module may serve to integrate these types of platforms to create reasonable models of drug responses in human tissues. This review discusses how combinatorial microenvironment microarrays and other biomimetic microenvironments have revealed emergent properties of cells in particular microenvironmental contexts, the platforms that can measure phenotypic changes within those contexts, and the computational tools that can unify the microenvironment-imposed functional phenotypes with underlying constellations of proteins and genes. Ultimately we propose that a merger of these technologies will enable more accurate pre-clinical drug discovery. PMID:24582543

  17. Computational fluid dynamics in ventilation: Practical approach

    NASA Astrophysics Data System (ADS)

    Fontaine, J. R.

    The potential of computation fluid dynamics (CFD) for conceiving ventilation systems is shown through the simulation of five practical cases. The following examples are considered: capture of pollutants on a surface treating tank equipped with a unilateral suction slot in the presence of a disturbing air draft opposed to suction; dispersion of solid aerosols inside fume cupboards; performances comparison of two general ventilation systems in a silkscreen printing workshop; ventilation of a large open painting area; and oil fog removal inside a mechanical engineering workshop. Whereas the two first problems are analyzed through two dimensional numerical simulations, the three other cases require three dimensional modeling. For the surface treating tank case, numerical results are compared to laboratory experiment data. All simulations are carried out using EOL, a CFD software specially devised to deal with air quality problems in industrial ventilated premises. It contains many analysis tools to interpret the results in terms familiar to the industrial hygienist. Much experimental work has been engaged to validate the predictions of EOL for ventilation flows.

  18. Computational social dynamic modeling of group recruitment.

    SciTech Connect

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  19. Object Orientated Methods in Computational Fluid Dynamics.

    NASA Astrophysics Data System (ADS)

    Tabor, Gavin; Weller, Henry; Jasak, Hrvoje; Fureby, Christer

    1997-11-01

    We outline the aims of the FOAM code, a Finite Volume Computational Fluid Dynamics code written in C++, and discuss the use of Object Orientated Programming (OOP) methods to achieve these aims. The intention when writing this code was to make it as easy as possible to alter the modelling : this was achieved by making the top level syntax of the code as close as possible to conventional mathematical notation for tensors and partial differential equations. Object orientation enables us to define classes for both types of objects, and the operator overloading possible in C++ allows normal symbols to be used for the basic operations. The introduction of features such as automatic dimension checking of equations helps to enforce correct coding of models. We also discuss the use of OOP techniques such as data encapsulation and code reuse. As examples of the flexibility of this approach, we discuss the implementation of turbulence modelling using RAS and LES. The code is used to simulate turbulent flow for a number of test cases, including fully developed channel flow and flow around obstacles. We also demonstrate the use of the code for solving structures calculations and magnetohydrodynamics.

  20. Computational study on cortical spreading depression based on a generalized cellular automaton model

    NASA Astrophysics Data System (ADS)

    Chen, Shangbin; Hu, Lele; Li, Bing; Xu, Changcheng; Liu, Qian

    2009-02-01

    Cortical spreading depression (CSD) is an important neurophysiological phenomenon correlating with some neural disorders, such as migraine, cerebral ischemia and epilepsy. By now, we are still not clear about the mechanisms of CSD's initiation and propagation, also the relevance between CSD and those neural diseases. Nevertheless, characterization of CSD, especially the spatiotemporal evolution, will promote the understanding of the CSD's nature and mechanisms. Besides the previous experimental work on charactering the spatiotemporal evolution of CSD in rats by optical intrinsic signal imaging, a computational study based on a generalized cellular automaton (CA) model was proposed here. In the model, we exploited a generalized neighborhood connection rule: a central CA cell is related with a group of surrounding CA cells with different weight coefficients. By selecting special parameters, the generalized CA model could be transformed to the traditional CA models with von Neumann, Moore and hexagon neighborhood connection means. Hence, the new model covered several properties of CSD simulated in traditional CA models: 1) expanding from the origin site like a circular wave; 2) annihilation of two waves traveling in opposite directions after colliding; 3) wavefront of CSD breaking and recovering when and after encountering an obstacle. By setting different refractory period in the different CA lattice field, different connection coefficient in different direction within the defined neighborhood, inhomogeneous propagation of CSD was simulated with high fidelity. The computational results were analogous to the reported time-varying CSD waves by optical imaging. So, the generalized CA model would be useful to study CSD because of its intuitive appeal and computational efficiency.

  1. Synchrotron-based X-ray computed tomography during compression loading of cellular materials

    DOE PAGESBeta

    Cordes, Nikolaus L.; Henderson, Kevin; Stannard, Tyler; Williams, Jason J.; Xiao, Xianghui; Robinson, Mathew W. C.; Schaedler, Tobias A.; Chawla, Nikhilesh; Patterson, Brian M.

    2015-04-29

    Three-dimensional X-ray computed tomography (CT) of in situ dynamic processes provides internal snapshot images as a function of time. Tomograms are mathematically reconstructed from a series of radiographs taken in rapid succession as the specimen is rotated in small angular increments. In addition to spatial resolution, temporal resolution is important. Thus temporal resolution indicates how close together in time two distinct tomograms can be acquired. Tomograms taken in rapid succession allow detailed analyses of internal processes that cannot be obtained by other means. This article describes the state-of-the-art for such measurements acquired using synchrotron radiation as the X-ray source.

  2. Synchrotron-based X-ray computed tomography during compression loading of cellular materials

    SciTech Connect

    Cordes, Nikolaus L.; Henderson, Kevin; Stannard, Tyler; Williams, Jason J.; Xiao, Xianghui; Robinson, Mathew W. C.; Schaedler, Tobias A.; Chawla, Nikhilesh; Patterson, Brian M.

    2015-04-29

    Three-dimensional X-ray computed tomography (CT) of in situ dynamic processes provides internal snapshot images as a function of time. Tomograms are mathematically reconstructed from a series of radiographs taken in rapid succession as the specimen is rotated in small angular increments. In addition to spatial resolution, temporal resolution is important. Thus temporal resolution indicates how close together in time two distinct tomograms can be acquired. Tomograms taken in rapid succession allow detailed analyses of internal processes that cannot be obtained by other means. This article describes the state-of-the-art for such measurements acquired using synchrotron radiation as the X-ray source.

  3. Computer aided analysis and optimization of mechanical system dynamics

    NASA Technical Reports Server (NTRS)

    Haug, E. J.

    1984-01-01

    The purpose is to outline a computational approach to spatial dynamics of mechanical systems that substantially enlarges the scope of consideration to include flexible bodies, feedback control, hydraulics, and related interdisciplinary effects. Design sensitivity analysis and optimization is the ultimate goal. The approach to computer generation and solution of the system dynamic equations and graphical methods for creating animations as output is outlined.

  4. Trends in computational capabilities for fluid dynamics

    NASA Technical Reports Server (NTRS)

    Peterson, V. L.

    1985-01-01

    Milestones in the development of computational aerodynamics are reviewed together with past, present, and future computer performance (speed and memory) trends. Factors influencing computer performance requirements for both steady and unsteady flow simulations are identified. Estimates of computer speed and memory that are required to calculate both inviscid and viscous, steady and unsteady flows about airfoils, wings, and simple wing body configurations are presented and compared to computer performance which is either currently available, or is expected to be available before the end of this decade. Finally, estimates of the amounts of computer time that are required to determine flutter boundaries of airfoils and wings at transonic Mach numbers are presented and discussed.

  5. Trends in computational capabilities for fluid dynamics

    NASA Technical Reports Server (NTRS)

    Peterson, V. L.

    1984-01-01

    Milestones in the development of computational aerodynamics are reviewed together with past, present, and future computer performance (speed and memory) trends. Factors influencing computer performance requirements for both steady and unsteady flow simulations are identified. Estimates of computer speed and memory that are required to calculate both inviscid and viscous, steady and unsteady flows about airfoils, wings, and simple wing body configurations are presented and compared to computer performance which is either currently available, or is expected to be available before the end of this decade. Finally, estimates of the amounts of computer time that are required to determine flutter boundaries of airfoils and wings at transonic Mach numbers are presented and discussed.

  6. AIR INGRESS ANALYSIS: COMPUTATIONAL FLUID DYNAMIC MODELS

    SciTech Connect

    Chang H. Oh; Eung S. Kim; Richard Schultz; Hans Gougar; David Petti; Hyung S. Kang

    2010-08-01

    The Idaho National Laboratory (INL), under the auspices of the U.S. Department of Energy, is performing research and development that focuses on key phenomena important during potential scenarios that may occur in very high temperature reactors (VHTRs). Phenomena Identification and Ranking Studies to date have ranked an air ingress event, following on the heels of a VHTR depressurization, as important with regard to core safety. Consequently, the development of advanced air ingress-related models and verification and validation data are a very high priority. Following a loss of coolant and system depressurization incident, air will enter the core of the High Temperature Gas Cooled Reactor through the break, possibly causing oxidation of the in-the core and reflector graphite structure. Simple core and plant models indicate that, under certain circumstances, the oxidation may proceed at an elevated rate with additional heat generated from the oxidation reaction itself. Under postulated conditions of fluid flow and temperature, excessive degradation of the lower plenum graphite can lead to a loss of structural support. Excessive oxidation of core graphite can also lead to the release of fission products into the confinement, which could be detrimental to a reactor safety. Computational fluid dynamic model developed in this study will improve our understanding of this phenomenon. This paper presents two-dimensional and three-dimensional CFD results for the quantitative assessment of the air ingress phenomena. A portion of results of the density-driven stratified flow in the inlet pipe will be compared with results of the experimental results.

  7. COMPUTATIONAL FLUID DYNAMICS MODELING ANALYSIS OF COMBUSTORS

    SciTech Connect

    Mathur, M.P.; Freeman, Mark; Gera, Dinesh

    2001-11-06

    In the current fiscal year FY01, several CFD simulations were conducted to investigate the effects of moisture in biomass/coal, particle injection locations, and flow parameters on carbon burnout and NO{sub x} inside a 150 MW GEEZER industrial boiler. Various simulations were designed to predict the suitability of biomass cofiring in coal combustors, and to explore the possibility of using biomass as a reburning fuel to reduce NO{sub x}. Some additional CFD simulations were also conducted on CERF combustor to examine the combustion characteristics of pulverized coal in enriched O{sub 2}/CO{sub 2} environments. Most of the CFD models available in the literature treat particles to be point masses with uniform temperature inside the particles. This isothermal condition may not be suitable for larger biomass particles. To this end, a stand alone program was developed from the first principles to account for heat conduction from the surface of the particle to its center. It is envisaged that the recently developed non-isothermal stand alone module will be integrated with the Fluent solver during next fiscal year to accurately predict the carbon burnout from larger biomass particles. Anisotropy in heat transfer in radial and axial will be explored using different conductivities in radial and axial directions. The above models will be validated/tested on various fullscale industrial boilers. The current NO{sub x} modules will be modified to account for local CH, CH{sub 2}, and CH{sub 3} radicals chemistry, currently it is based on global chemistry. It may also be worth exploring the effect of enriched O{sub 2}/CO{sub 2} environment on carbon burnout and NO{sub x} concentration. The research objective of this study is to develop a 3-Dimensional Combustor Model for Biomass Co-firing and reburning applications using the Fluent Computational Fluid Dynamics Code.

  8. Integrated computer simulation on FIR FEL dynamics

    SciTech Connect

    Furukawa, H.; Kuruma, S.; Imasaki, K.

    1995-12-31

    An integrated computer simulation code has been developed to analyze the RF-Linac FEL dynamics. First, the simulation code on the electron beam acceleration and transport processes in RF-Linac: (LUNA) has been developed to analyze the characteristics of the electron beam in RF-Linac and to optimize the parameters of RF-Linac. Second, a space-time dependent 3D FEL simulation code (Shipout) has been developed. The RF-Linac FEL total simulations have been performed by using the electron beam data from LUNA in Shipout. The number of particles using in a RF-Linac FEL total simulation is approximately 1000. The CPU time for the simulation of 1 round trip is about 1.5 minutes. At ILT/ILE, Osaka, a 8.5MeV RF-Linac with a photo-cathode RF-gun is used for FEL oscillation experiments. By using 2 cm wiggler, the FEL oscillation in the wavelength approximately 46 {mu}m are investigated. By the simulations using LUNA with the parameters of an ILT/ILE experiment, the pulse shape and the energy spectra of the electron beam at the end of the linac are estimated. The pulse shape of the electron beam at the end of the linac has sharp rise-up and it slowly decays as a function of time. By the RF-linac FEL total simulations with the parameters of an ILT/ILE experiment, the dependencies of the start up of the FEL oscillations on the pulse shape of the electron beam at the end of the linac are estimated. The coherent spontaneous emission effects and the quick start up of FEL oscillations have been observed by the RF-Linac FEL total simulations.

  9. Dynamic leaching test of personal computer components.

    PubMed

    Li, Yadong; Richardson, Jay B; Niu, Xiaojun; Jackson, Ollie J; Laster, Jeremy D; Walker, Aaron K

    2009-11-15

    A dynamic leaching test (DLT) was developed and used to evaluate the leaching of toxic substances for electronic waste in the environment. The major components in personal computers (PCs) including motherboards, hard disc drives, floppy disc drives, and compact disc drives were tested. The tests lasted for 2 years for motherboards and 1.5 year for the disc drives. The extraction fluids for the standard toxicity characteristic leaching procedure (TCLP) and synthetic precipitation leaching procedure (SPLP) were used as the DLT leaching solutions. A total of 18 elements including Ag, Al, As, Au, Ba, Be, Cd, Cr, Cu, Fe, Ga, Ni, Pd, Pb, Sb, Se, Sn, and Zn were analyzed in the DLT leachates. Only Al, Cu, Fe, Ni, Pb, and Zn were commonly found in the DLT leachates of the PC components. Their leaching levels were much higher in TCLP extraction fluid than in SPLP extraction fluid. The toxic heavy metal Pb was found to continuously leach out of the components over the entire test periods. The cumulative amounts of Pb leached out of the motherboards in TCLP extraction fluid reached 2.0 g per motherboard over the 2-year test period, and that in SPLP extraction fluid were 75-90% less. The leaching rates or levels of Pb were largely affected by the content of galvanized steel in the PC components. The higher was the steel content, the lower the Pb leaching rate would be. The findings suggest that the obsolete PCs disposed of in landfills or discarded in the environment continuously release Pb for years when subjected to landfill leachate or rains. PMID:19616380

  10. Basement membranes in the worm: a dynamic scaffolding that instructs cellular behaviors and shapes tissues

    PubMed Central

    Clay, Matthew R.; Sherwood, David R.

    2015-01-01

    The nematode worm Caenorhabditis elegans has all the major basement membrane proteins found in vertebrates, usually with a smaller gene family encoding each component. With its powerful forward genetics, optical clarity, simple tissue organization, and the capability to functionally tag most basement membrane components with fluorescent proteins, C. elegans has facilitated novel insights into the assembly and function of basement membranes. Although basement membranes are generally thought of as static structures, studies in C. elegans have revealed their active properties and essential functions in tissue formation and maintenance. Here we review discoveries from C. elegans development that highlight dynamic aspects of basement membrane assembly, function, and regulation during organ growth, tissue polarity, cell migration, cell invasion, and tissue attachment. These studies have helped transform our view of basement membranes from static support structures to dynamic scaffoldings that play broad roles in regulating tissue organization and cellular behavior that are essential for development and have important implications in human diseases. PMID:26610919

  11. DNA-controlled dynamic colloidal nanoparticle systems for mediating cellular interaction

    NASA Astrophysics Data System (ADS)

    Ohta, Seiichi; Glancy, Dylan; Chan, Warren C. W.

    2016-02-01

    Precise control of biosystems requires development of materials that can dynamically change physicochemical properties. Inspired by the ability of proteins to alter their conformation to mediate function, we explored the use of DNA as molecular keys to assemble and transform colloidal nanoparticle systems. The systems consist of a core nanoparticle surrounded by small satellites, the conformation of which can be transformed in response to DNA via a toe-hold displacement mechanism. The conformational changes can alter the optical properties and biological interactions of the assembled nanosystem. Photoluminescent signal is altered by changes in fluorophore-modified particle distance, whereas cellular targeting efficiency is increased 2.5 times by changing the surface display of targeting ligands. These concepts provide strategies for engineering dynamic nanotechnology systems for navigating complex biological environments.

  12. DNA-controlled dynamic colloidal nanoparticle systems for mediating cellular interaction.

    PubMed

    Ohta, Seiichi; Glancy, Dylan; Chan, Warren C W

    2016-02-19

    Precise control of biosystems requires development of materials that can dynamically change physicochemical properties. Inspired by the ability of proteins to alter their conformation to mediate function, we explored the use of DNA as molecular keys to assemble and transform colloidal nanoparticle systems. The systems consist of a core nanoparticle surrounded by small satellites, the conformation of which can be transformed in response to DNA via a toe-hold displacement mechanism. The conformational changes can alter the optical properties and biological interactions of the assembled nanosystem. Photoluminescent signal is altered by changes in fluorophore-modified particle distance, whereas cellular targeting efficiency is increased 2.5 times by changing the surface display of targeting ligands. These concepts provide strategies for engineering dynamic nanotechnology systems for navigating complex biological environments. PMID:26912892

  13. Emergence of density dynamics by surface interpolation in elementary cellular automata

    NASA Astrophysics Data System (ADS)

    Seck-Tuoh-Mora, Juan Carlos; Medina-Marin, Joselito; Martínez, Genaro J.; Hernández-Romero, Norberto

    2014-04-01

    A classic problem in elementary cellular automata (ECAs) is the specification of numerical tools to represent and study their dynamical behaviour. Mean field theory and basins of attraction have been commonly used; however, although the first case gives the long term estimation of density, frequently it does not show an adequate approximation for the step-by-step temporal behaviour; mainly for non-trivial behaviour. In the second case, basins of attraction display a complete representation of the evolution of an ECA, but they are limited up to configurations of 32 cells; and for the same ECA, one can obtain tens of basins to analyse. This paper is devoted to represent the dynamics of density in ECAs for hundreds of cells using only two surfaces calculated by the nearest-neighbour interpolation. A diversity of surfaces emerges in this analysis. Consequently, we propose a surface and histogram based classification for periodic, chaotic and complex ECA.

  14. Study of dynamic process of acetic acid induced-whitening in epithelial tissues at cellular level

    NASA Astrophysics Data System (ADS)

    Wu, Tao T.; Qu, Jianan Y.; Cheung, Tak Hong; Yim, So Fan; Wong, Yick Fu

    2005-06-01

    Acetic acid, inducing transient whitening (acetowhitening) when applied to epithelial tissues, is a commonly used contrast agent for detecting early cervical cancer. The goals of this research are to investigate the temporal characteristics of acetowhitening process in cervical epithelial tissue at cellular level and develop a clear understanding of the diagnostic information carried in the acetowhitening signal. A system measuring time-resolved reflectance was built to study the rising and decay processes of acetowhitening signal from the monolayered cell cultures of normal and cancerous cervical squamous cells. It is found that the dynamic processes of acetowhitening in normal and cancerous cells are significantly different. The results of this study provide insight valuable to further understand the acetowhitening process in epithelial cells and to encourage the development of an objective procedure to detect the early cervical cancers based on quantitative monitoring of the dynamic process of acetowhitening

  15. Actin-binding proteins: the long road to understanding the dynamic landscape of cellular actin networks.

    PubMed

    Lappalainen, Pekka

    2016-08-15

    The actin cytoskeleton supports a vast number of cellular processes in nonmuscle cells. It is well established that the organization and dynamics of the actin cytoskeleton are controlled by a large array of actin-binding proteins. However, it was only 40 years ago that the first nonmuscle actin-binding protein, filamin, was identified and characterized. Filamin was shown to bind and cross-link actin filaments into higher-order structures and contribute to phagocytosis in macrophages. Subsequently many other nonmuscle actin-binding proteins were identified and characterized. These proteins regulate almost all steps of the actin filament assembly and disassembly cycles, as well as the arrangement of actin filaments into diverse three-dimensional structures. Although the individual biochemical activities of most actin-regulatory proteins are relatively well understood, knowledge of how these proteins function together in a common cytoplasm to control actin dynamics and architecture is only beginning to emerge. Furthermore, understanding how signaling pathways and mechanical cues control the activities of various actin-binding proteins in different cellular, developmental, and pathological processes will keep researchers busy for decades. PMID:27528696

  16. Dynamics of Cell Shape and Forces on Micropatterned Substrates Predicted by a Cellular Potts Model

    PubMed Central

    Albert, Philipp J.; Schwarz, Ulrich S.

    2014-01-01

    Micropatterned substrates are often used to standardize cell experiments and to quantitatively study the relation between cell shape and function. Moreover, they are increasingly used in combination with traction force microscopy on soft elastic substrates. To predict the dynamics and steady states of cell shape and forces without any a priori knowledge of how the cell will spread on a given micropattern, here we extend earlier formulations of the two-dimensional cellular Potts model. The third dimension is treated as an area reservoir for spreading. To account for local contour reinforcement by peripheral bundles, we augment the cellular Potts model by elements of the tension-elasticity model. We first parameterize our model and show that it accounts for momentum conservation. We then demonstrate that it is in good agreement with experimental data for shape, spreading dynamics, and traction force patterns of cells on micropatterned substrates. We finally predict shapes and forces for micropatterns that have not yet been experimentally studied. PMID:24896113

  17. The effects of Cosmos caudatus (ulam raja) on dynamic and cellular bone histomorphometry in ovariectomized rats

    PubMed Central

    2013-01-01

    Background Cosmos caudatus is a local plant which has antioxidant properties and contains high calcium. It is also reported to be able to strengthen the bone. This report is an extension to previously published article in Evidence Based Complementary and Alternative Medicine (doi:10.1155/2012/817814). In this study, we determined the effectiveness of C. caudatus as an alternative treatment for osteoporosis due to post-menopause by looking at the dynamic and cellular paramaters of bone histomorphometry. Methods Forty female Wistar rats were divided into four groups i.e. sham operated, ovariectomized, ovariectomized treated with calcium 1% ad libitum and ovariectomized force-fed with 500 mg/kg C. caudatus extract. Treatment was given six days a week for eight weeks. Results Dynamic and cellular histomorphometry parameters were measured. C. caudatus increased double-labeled surface (dLS/BS), mineral appositional rate (MAR), osteoid volume (OV/BV) and osteoblast surface (Ob.S/BS). C. caudatus also gave better results compared to calcium 1% in the osteoid volume (OV/BV) parameter. Conclusions C. caudatus at the 500 mg/kg dose may be an alternative treatment in restoring bone damage that may occur in post-menopausal women. PMID:23800238

  18. Cellular Solid-State NMR Investigation of a Membrane Protein Using Dynamic Nuclear Polarization

    PubMed Central

    Yamamoto, Kazutoshi; Caporini, Marc A.; Im, Sang-Choul; Waskell, Lucy; Ramamoorthy, Ayyalusamy

    2014-01-01

    While an increasing number of structural biology studies successfully demonstrate the power of high-resolution structures and dynamics of membrane proteins in fully understanding their function, there is considerable interest in developing NMR approaches to obtain such information in a cellular setting. As long as the proteins inside the living cell tumble rapidly in the NMR timescale, recently developed in-cell solution NMR approaches can be applied towards the determination of 3D structural information. However, there are numerous challenges that need to be overcome to study membrane proteins inside a cell. Research in our laboratory is focused on developing a combination of solid-state NMR and biological approaches to overcome these challenges with a specific emphasis on obtaining high-resolution structural insights into electron transfer biological processes mediated by membrane-bound proteins like mammalian cytochrome b5, cytochrome P450 and cytochrome P450 reductase. In this study, we demonstrate the feasibility of using the signal-enhancement rendered by dynamic nuclear polarization (DNP) magic angle spinning (MAS) NMR spectroscopy for in-cell studies on a membrane-anchored protein. Our experimental results obtained from 13C-labeled membrane-anchored cytochrome b5 in native Escherichia coli cells show a ~16-fold DNP signal enhancement (ε). Further, results obtained from a 2D 13C/13C chemical shift correlation MAS experiment demonstrates that it is highly possible to suppress the background signals from other cellular contents for high-resolution structural studies on membrane proteins. We believe that this study would pave new avenues for high-resolution 3D structural studies on a variety of membrane-associated proteins and their complexes in the cellular context to fully understand their functional roles in physiological processes. PMID:25017802

  19. Cellular automata model based on GIS and urban sprawl dynamics simulation

    NASA Astrophysics Data System (ADS)

    Mu, Fengyun; Zhang, Zengxiang

    2005-10-01

    The simulation of land use change process needs the support of Geographical Information System (GIS) and other relative technologies. While the present commercial GIS lack capabilities of distribution, prediction, and simulation of spatial-temporal data. Cellular automata (CA) provide dynamically modeling "from bottom-to-top" framework and posses the capability of modeling spatial-temporal evolvement process of a complicated geographical system, which is composed of a fourfold: cells, states, neighbors and rules. The simplicity and flexibility make CA have the ability to simulate a variety of behaviors of complex systems. One of the most potentially useful applications of cellular automata from the point of view of spatial planning is their use in simulations of urban sprawl at local and regional level. The paper firstly introduces the principles and characters of the cellular automata, and then discusses three methods of the integration of CA and GIS. The paper analyses from a practical point of view the factors that effect urban activities in the science of spatial decision-making. The status of using CA to dynamic simulates of urban expansion at home and abroad is analyzed. Finally, the problems and tendencies that exist in the application of CA model are detailed discussed, such as the quality of the data that the CA needs, the self-organization of the CA roots in the mutual function among the elements of the system, the partition of the space scale, the time calibration of the CA and the integration of the CA with other modular such as artificial nerve net modular and population modular etc.

  20. Computational fluid dynamics on a massively parallel computer

    NASA Technical Reports Server (NTRS)

    Jespersen, Dennis C.; Levit, Creon

    1989-01-01

    A finite difference code was implemented for the compressible Navier-Stokes equations on the Connection Machine, a massively parallel computer. The code is based on the ARC2D/ARC3D program and uses the implicit factored algorithm of Beam and Warming. The codes uses odd-even elimination to solve linear systems. Timings and computation rates are given for the code, and a comparison is made with a Cray XMP.

  1. Mobility-Aware Caching and Computation Offloading in 5G Ultra-Dense Cellular Networks.

    PubMed

    Chen, Min; Hao, Yixue; Qiu, Meikang; Song, Jeungeun; Wu, Di; Humar, Iztok

    2016-01-01

    Recent trends show that Internet traffic is increasingly dominated by content, which is accompanied by the exponential growth of traffic. To cope with this phenomena, network caching is introduced to utilize the storage capacity of diverse network devices. In this paper, we first summarize four basic caching placement strategies, i.e., local caching, Device-to-Device (D2D) caching, Small cell Base Station (SBS) caching and Macrocell Base Station (MBS) caching. However, studies show that so far, much of the research has ignored the impact of user mobility. Therefore, taking the effect of the user mobility into consideration, we proposes a joint mobility-aware caching and SBS density placement scheme (MS caching). In addition, differences and relationships between caching and computation offloading are discussed. We present a design of a hybrid computation offloading and support it with experimental results, which demonstrate improved performance in terms of energy cost. Finally, we discuss the design of an incentive mechanism by considering network dynamics, differentiated user's quality of experience (QoE) and the heterogeneity of mobile terminals in terms of caching and computing capabilities. PMID:27347975

  2. Mobility-Aware Caching and Computation Offloading in 5G Ultra-Dense Cellular Networks

    PubMed Central

    Chen, Min; Hao, Yixue; Qiu, Meikang; Song, Jeungeun; Wu, Di; Humar, Iztok

    2016-01-01

    Recent trends show that Internet traffic is increasingly dominated by content, which is accompanied by the exponential growth of traffic. To cope with this phenomena, network caching is introduced to utilize the storage capacity of diverse network devices. In this paper, we first summarize four basic caching placement strategies, i.e., local caching, Device-to-Device (D2D) caching, Small cell Base Station (SBS) caching and Macrocell Base Station (MBS) caching. However, studies show that so far, much of the research has ignored the impact of user mobility. Therefore, taking the effect of the user mobility into consideration, we proposes a joint mobility-aware caching and SBS density placement scheme (MS caching). In addition, differences and relationships between caching and computation offloading are discussed. We present a design of a hybrid computation offloading and support it with experimental results, which demonstrate improved performance in terms of energy cost. Finally, we discuss the design of an incentive mechanism by considering network dynamics, differentiated user’s quality of experience (QoE) and the heterogeneity of mobile terminals in terms of caching and computing capabilities. PMID:27347975

  3. Cellular Nutrition in Complex Three-Dimensional Scaffolds: A Comparison between Experiments and Computer Simulations

    PubMed Central

    Bergemann, Claudia; Elter, Patrick; Lange, Regina; Weißmann, Volker; Hansmann, Harald; Klinkenberg, Ernst-Dieter; Nebe, Barbara

    2015-01-01

    Studies on bone cell ingrowth into synthetic, porous three-dimensional (3D) implants showed difficulties arising from impaired cellular proliferation and differentiation in the core region of these scaffolds with increasing scaffold volume in vitro. Therefore, we developed an in vitro perfusion cell culture module, which allows the analysis of cells in the interior of scaffolds under different medium flow rates. For each flow rate the cell viability was measured and compared with results from computer simulations that predict the local oxygen supply and shear stress inside the scaffold based on the finite element method. We found that the local cell viability correlates with the local oxygen concentration and the local shear stress. On the one hand the oxygen supply of the cells in the core becomes optimal with a higher perfusion flow. On the other hand shear stress caused by high flow rates impedes cell vitality, especially at the surface of the scaffold. Our results demonstrate that both parameters must be considered to derive an optimal nutrient flow rate. PMID:26539216

  4. Computing Bisectors in a Dynamic Geometry Environment

    ERIC Educational Resources Information Center

    Botana, Francisco

    2013-01-01

    In this note, an approach combining dynamic geometry and automated deduction techniques is used to study the bisectors between points and curves. Usual teacher constructions for bisectors are discussed, showing that inherent limitations in dynamic geometry software impede their thorough study. We show that the interactive sketching of bisectors…

  5. Biological pattern generation: the cellular and computational logic of networks in motion.

    PubMed

    Grillner, Sten

    2006-12-01

    In 1900, Ramón y Cajal advanced the neuron doctrine, defining the neuron as the fundamental signaling unit of the nervous system. Over a century later, neurobiologists address the circuit doctrine: the logic of the core units of neuronal circuitry that control animal behavior. These are circuits that can be called into action for perceptual, conceptual, and motor tasks, and we now need to understand whether there are coherent and overriding principles that govern the design and function of these modules. The discovery of central motor programs has provided crucial insight into the logic of one prototypic set of neural circuits: those that generate motor patterns. In this review, I discuss the mode of operation of these pattern generator networks and consider the neural mechanisms through which they are selected and activated. In addition, I will outline the utility of computational models in analysis of the dynamic actions of these motor networks. PMID:17145498

  6. Eleventh Workshop for Computational Fluid Dynamic Applications in Rocket Propulsion

    NASA Technical Reports Server (NTRS)

    Williams, R. W. (Compiler)

    1993-01-01

    Conference publication includes 79 abstracts and presentations and 3 invited presentations given at the Eleventh Workshop for Computational Fluid Dynamic Applications in Rocket Propulsion held at George C. Marshall Space Flight Center, April 20-22, 1993. The purpose of the workshop is to discuss experimental and computational fluid dynamic activities in rocket propulsion. The workshop is an open meeting for government, industry, and academia. A broad number of topics are discussed including computational fluid dynamic methodology, liquid and solid rocket propulsion, turbomachinery, combustion, heat transfer, and grid generation.

  7. The Neurona at Home project: Simulating a large-scale cellular automata brain in a distributed computing environment

    NASA Astrophysics Data System (ADS)

    Acedo, L.; Villanueva-Oller, J.; Moraño, J. A.; Villanueva, R.-J.

    2013-01-01

    The Berkeley Open Infrastructure for Network Computing (BOINC) has become the standard open source solution for grid computing in the Internet. Volunteers use their computers to complete an small part of the task assigned by a dedicated server. We have developed a BOINC project called Neurona@Home whose objective is to simulate a cellular automata random network with, at least, one million neurons. We consider a cellular automata version of the integrate-and-fire model in which excitatory and inhibitory nodes can activate or deactivate neighbor nodes according to a set of probabilistic rules. Our aim is to determine the phase diagram of the model and its behaviour and to compare it with the electroencephalographic signals measured in real brains.

  8. Computational Approaches to Analyze and Predict Small Molecule Transport and Distribution at Cellular and Subcellular Levels

    PubMed Central

    Ah Min, Kyoung; Zhang, Xinyuan; Yu, Jing-yu; Rosania, Gus R.

    2013-01-01

    Quantitative structure-activity relationship (QSAR) studies and mechanistic mathematical modeling approaches have been independently employed for analyzing and predicting the transport and distribution of small molecule chemical agents in living organisms. Both of these computational approaches have been useful to interpret experiments measuring the transport properties of small molecule chemical agents, in vitro and in vivo. Nevertheless, mechanistic cell-based pharmacokinetic models have been especially useful to guide the design of experiments probing the molecular pathways underlying small molecule transport phenomena. Unlike QSAR models, mechanistic models can be integrated from microscopic to macroscopic levels, to analyze the spatiotemporal dynamics of small molecule chemical agents from intracellular organelles to whole organs, well beyond the experiments and training data sets upon which the models are based. Based on differential equations, mechanistic models can also be integrated with other differential equations-based systems biology models of biochemical networks or signaling pathways. Although the origin and evolution of mathematical modeling approaches aimed at predicting drug transport and distribution has occurred independently from systems biology, we propose that the incorporation of mechanistic cell-based computational models of drug transport and distribution into a systems biology modeling framework is a logical next-step for the advancement of systems pharmacology research. PMID:24218242

  9. Computer architecture evaluation for structural dynamics computations: Project summary

    NASA Technical Reports Server (NTRS)

    Standley, Hilda M.

    1989-01-01

    The intent of the proposed effort is the examination of the impact of the elements of parallel architectures on the performance realized in a parallel computation. To this end, three major projects are developed: a language for the expression of high level parallelism, a statistical technique for the synthesis of multicomputer interconnection networks based upon performance prediction, and a queueing model for the analysis of shared memory hierarchies.

  10. Dynamics of the HIV infection under antiretroviral therapy: A cellular automata approach

    NASA Astrophysics Data System (ADS)

    González, Ramón E. R.; Coutinho, Sérgio; Zorzenon dos Santos, Rita Maria; de Figueirêdo, Pedro Hugo

    2013-10-01

    The dynamics of human immunodeficiency virus infection under antiretroviral therapy is investigated using a cellular automata model where the effectiveness of each drug is self-adjusted by the concentration of CD4+ T infected cells present at each time step. The effectiveness of the drugs and the infected cell concentration at the beginning of treatment are the control parameters of the cell population’s dynamics during therapy. The model allows describing processes of mono and combined therapies. The dynamics that emerges from this model when considering combined antiretroviral therapies reproduces with fair qualitative agreement the phases and different time scales of the process. As observed in clinical data, the results reproduce the significant decrease in the population of infected cells and a concomitant increase of the population of healthy cells in a short timescale (weeks) after the initiation of treatment. Over long time scales, early treatment with potent drugs may lead to undetectable levels of infection. For late treatment or treatments starting with a low density of CD4+ T healthy cells it was observed that the treatment may lead to a steady state in which the T cell counts are above the threshold associated with the onset of AIDS. The results obtained are validated through comparison to available clinical trial data.

  11. A multi-objective model for designing a group layout of a dynamic cellular manufacturing system

    NASA Astrophysics Data System (ADS)

    Kia, Reza; Shirazi, Hossein; Javadian, Nikbakhsh; Tavakkoli-Moghaddam, Reza

    2013-04-01

    This paper presents a multi-objective mixed-integer nonlinear programming model to design a group layout of a cellular manufacturing system in a dynamic environment, in which the number of cells to be formed is variable. Cell formation (CF) and group layout (GL) are concurrently made in a dynamic environment by the integrated model, which incorporates with an extensive coverage of important manufacturing features used in the design of CMSs. Additionally, there are some features that make the presented model different from the previous studies. These features include the following: (1) the variable number of cells, (2) the integrated CF and GL decisions in a dynamic environment by a multi-objective mathematical model, and (3) two conflicting objectives that minimize the total costs (i.e., costs of intra and inter-cell material handling, machine relocation, purchasing new machines, machine overhead, machine processing, and forming cells) and minimize the imbalance of workload among cells. Furthermore, the presented model considers some limitations, such as machine capability, machine capacity, part demands satisfaction, cell size, material flow conservation, and location assignment. Four numerical examples are solved by the GAMS software to illustrate the promising results obtained by the incorporated features.

  12. Computing Nonequilibrium Conformational Dynamics of Structured Nucleic Acid Assemblies.

    PubMed

    Sedeh, Reza Sharifi; Pan, Keyao; Adendorff, Matthew Ralph; Hallatschek, Oskar; Bathe, Klaus-Jürgen; Bathe, Mark

    2016-01-12

    Synthetic nucleic acids can be programmed to form precise three-dimensional structures on the nanometer-scale. These thermodynamically stable complexes can serve as structural scaffolds to spatially organize functional molecules including multiple enzymes, chromophores, and force-sensing elements with internal dynamics that include substrate reaction-diffusion, excitonic energy transfer, and force-displacement response that often depend critically on both the local and global conformational dynamics of the nucleic acid assembly. However, high molecular weight assemblies exhibit long time-scale and large length-scale motions that cannot easily be sampled using all-atom computational procedures such as molecular dynamics. As an alternative, here we present a computational framework to compute the overdamped conformational dynamics of structured nucleic acid assemblies and apply it to a DNA-based tweezer, a nine-layer DNA origami ring, and a pointer-shaped DNA origami object, which consist of 204, 3,600, and over 7,000 basepairs, respectively. The framework employs a mechanical finite element model for the DNA nanostructure combined with an implicit solvent model to either simulate the Brownian dynamics of the assembly or alternatively compute its Brownian modes. Computational results are compared with an all-atom molecular dynamics simulation of the DNA-based tweezer. Several hundred microseconds of Brownian dynamics are simulated for the nine-layer ring origami object to reveal its long time-scale conformational dynamics, and the first ten Brownian modes of the pointer-shaped structure are predicted. PMID:26636351

  13. Sonovestibular symptoms evaluated by computed dynamic posturography.

    PubMed

    Teszler, C B; Ben-David, J; Podoshin, L; Sabo, E

    2000-01-01

    The investigation of stability under bilateral acoustic stimulation was undertaken in an attempt to mimic the real-life conditions of noisy environment (e.g., industry, aviation). The Tullio phenomenon evaluated by computed dynamic posturography (CDP) under acoustic stimulation is reflected in postural unsteadiness, rather than in the classic nystagmus. With such a method, the dangerous effects of noise-induced instability can be assessed and prevented. Three groups of subjects were submitted. The first (group A) included 20 patients who complained of sonovestibular symptoms (i.e., Tullio phenomenon) on the background of an inner-ear disease. The second group (B) included 20 neurootological patients without a history of Tullio phenomenon. Group C consisted of 20 patients with normal hearing, as controls. A pure-tone stimulus of 1,000 Hz at 110 dB was delivered binaurally for 20 seconds during condition 5 and condition 6 of the CDP sensory organization test. The sequence of six sensory organization conditions was performed three times with two intermissions of 15-20 minutes between the trials. The first was performed in the regular mode (quiet stance). This was followed 20 minutes by a trial carried out in quiet stance in sensory organizations tests (SOTs) 1 through 4, and with acoustic stimulation in SOT 5 and SOT 6. The last test was performed in quiet stance throughout (identical to the first trial). A significant drop in the composite equilibrium score was witnessed in group A patients upon acoustic stimulation (p < .0001). This imbalance did not disappear completely until 20 minutes later when the third sensory organization trial was performed. In fact, the composite score obtained on the last SOT was still significantly worse than the baseline. Group B and the normal subjects (group C) showed no significant change in composite score. As regards the vestibular ratio score, again, group A marked a drop on stimulation with sound (p < .004). This decrease

  14. Cellular dynamics during early barley pollen embryogenesis revealed by time-lapse imaging

    PubMed Central

    Daghma, Diaa Eldin S.; Hensel, Goetz; Rutten, Twan; Melzer, Michael; Kumlehn, Jochen

    2014-01-01

    Plants display a remarkable capacity for cellular totipotency. An intriguing and useful example is that immature pollen cultured in vitro can pass through embryogenic development to form haploid or doubled haploid plants. However, a lack of understanding the initial mechanisms of pollen embryogenesis hampers the improvement and more effective and widespread employment of haploid technology in plant research and breeding. To investigate the cellular dynamics during the onset of pollen embryogenesis, we used time-lapse imaging along with transgenic barley expressing nuclear localized Green Fluorescent Protein. The results enabled us to identify nine distinct embryogenic and non-embryogenic types of pollen response to the culture conditions. Cell proliferation in embryogenic pollen normally started via a first symmetric mitosis (54.3% of pollen observed) and only rarely did so via asymmetric pollen mitosis I (4.3% of pollen observed). In the latter case, proliferation generally originated from the vegetative-like cell, albeit the division of the generative-like cell was observed in few types of pollen. Under the culture conditions used, fusion of cell nuclei was the only mechanism of genome duplication observed. PMID:25538715

  15. Trabecular bone structural parameters evaluated using dental cone-beam computed tomography: cellular synthetic bones

    PubMed Central

    2013-01-01

    Objective This study compared the adequacy of dental cone beam computed tomography (CBCT) and micro computed tomography (micro-CT) in evaluating the structural parameters of trabecular bones. Methods The cellular synthetic bones in 4 density groups (Groups 1–4: 0.12, 0.16, 0.20, and 0.32 g/cm3) were used in this study. Each group comprised 8 experimental specimens that were approximately 1 cm3. Dental CBCT and micro-CT scans were conducted on each specimen to obtain independent measurements of the following 4 trabecular bone structural parameters: bone volume fraction (BV/TV), specific bone surface (BS/BV), trabecular thickness (Tb.Th.), and trabecular separation (Tb.Sp.). Wilcoxon signed ranks tests were used to compare the measurement variations between the dental CBCT and micro-CT scans. A Spearman analysis was conducted to calculate the correlation coefficients (r) of the dental CBCT and micro-CT measurements. Results and Conclusion Of the 4 groups, the BV/TV and Tb.Th. measured using dental CBCT were larger compared with those measured using micro-CT. By contrast, the BS/BV measured using dental CBCT was significantly less compared with those measured using micro-CT. Furthermore, in the low-density groups (Groups 1 and 2), the Tb.Sp. measured using dental CBCT was smaller compared with those measured using micro-CT. However, the Tb.Sp. measured using dental CBCT was slightly larger in the high-density groups (Groups 3 and 4) than it was in the low density groups. The correlation coefficients between the BV/TV, BS/BV, Tb.Th., and Tb.Sp. values measured using dental CBCT and micro-CT were 0.9296 (p < .001), 0.8061 (p < .001), 0.9390 (p < .001), and 0.9583 (p < .001), respectively. Although the dental CBCT and micro-CT approaches exhibited high correlations, the absolute values of BV/TV, BS/BV, Tb.Th., Tb.Sp. differed significantly between these measurements. Additional studies must be conducted to evaluate using dental CBCT in clinical practice. PMID

  16. Dynamic deformation and fragmentation response of maraging steel linear cellular alloy

    NASA Astrophysics Data System (ADS)

    Jakus, Adam E.; Fredenberg, David A.; McCoy, Tammy; Thadhani, Naresh; Cochran, Joe K.

    2012-03-01

    The dynamic deformation and fragmentation response of 25% dense 9-cell linear cellular alloy (LCA) made of unaged 250 maraging steel, fabricated using a direct reduction and extrusion technique, is investigated. Explicit finite element simulations were implemented using AUTODYN finite element code. The maraging steel properties were defined using a Johnson-Cook strength model with previously validated parameters. Rod-on-anvil impact tests were performed using the 7.6mm helium gas gun and the transient deformation and fragmentation response was recorded with highspeed imaging. Analysis of observed deformation states of specimens and finite element simulations reveal that in the case of the 9-cell LCA, dissipation of stress and strain occurs along the interior cell wells resulting in significant and ubiquitous buckling prior to confined fragmentation.

  17. Aurora Borealis: stochastic cellular automata simulations of the excited-state dynamics of oxygen atoms.

    NASA Astrophysics Data System (ADS)

    Seybold, P. G.; Kier, L. B.; Cheng, C.-K.

    1999-12-01

    Emissions from the 1S and 1D excited states of atomic oxygen play a prominent role in creating the dramatic light displays (aurora borealis) seen in the skies over polar regions of the Northern Hemisphere. A probabilistic asynchronous cellular automaton model described previously has been applied to the excited-state dynamics of atomic oxygen. The model simulates the time-dependent variations in ground (3P) and excited-state populations that occur under user-defined probabilistic transition rules for both pulse and steady-state conditions. Although each trial simulation is itself an independent "experiment", deterministic values for the excited-state emission lifetimes and quantum yields emerge as limiting cases for large numbers of cells or large numbers of trials. Stochastic variations in the lifetimes and emission yields can be estimated from repeated trials.

  18. Designing a mathematical model for integrating dynamic cellular manufacturing into supply chain system

    NASA Astrophysics Data System (ADS)

    Aalaei, Amin; Davoudpour, Hamid

    2012-11-01

    This article presents designing a new mathematical model for integrating dynamic cellular manufacturing into supply chain system with an extensive coverage of important manufacturing features consideration of multiple plants location, multi-markets allocation, multi-period planning horizons with demand and part mix variation, machine capacity, and the main constraints are demand of markets satisfaction in each period, machine availability, machine time-capacity, worker assignment, available time of worker, production volume for each plant and the amounts allocated to each market. The aim of the proposed model is to minimize holding and outsourcing costs, inter-cell material handling cost, external transportation cost, procurement & maintenance and overhead cost of machines, setup cost, reconfiguration cost of machines installation and removal, hiring, firing and salary worker costs. Aimed to prove the potential benefits of such a design, presented an example is shown using a proposed model.

  19. Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI)

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Aboard the International Space Station (ISS), the Tissue Culture Module (TCM) is the stationary bioreactor vessel in which cell cultures grow. However, for the Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI), color polystyrene beads are used to measure the effectiveness of various mixing procedures. The beads are similar in size and density to human lymphoid cells. Uniform mixing is a crucial component of CBOSS experiments involving the immune response of human lymphoid cell suspensions. The goal is to develop procedures that are both convenient for the flight crew and are optimal in providing uniform and reproducible mixing of all components, including cells. The average bead density in a well mixed TCM will be uniform, with no bubbles, and it will be measured using the absorption of light. In this photograph, a TCM is shown after mixing protocols, and bubbles of various sizes can be seen.

  20. Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI)

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Aboard the International Space Station (ISS), the Tissue Culture Module (TCM) is the stationary bioreactor vessel in which cell cultures grow. However, for the Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI), color polystyrene beads are used to measure the effectiveness of various mixing procedures. The beads are similar in size and density to human lymphoid cells. Uniform mixing is a crucial component of CBOSS experiments involving the immune response of human lymphoid cell suspensions. The goal is to develop procedures that are both convenient for the flight crew and are optimal in providing uniform and reproducible mixing of all components, including cells. The average bead density in a well mixed TCM will be uniform, with no bubbles, and it will be measured using the absorption of light. In this photograph, beads are trapped in the injection port, with bubbles forming shortly after injection.

  1. ADDRESSING ENVIRONMENTAL ENGINEERING CHALLENGES WITH COMPUTATIONAL FLUID DYNAMICS

    EPA Science Inventory

    This paper discusses the status and application of Computational Fluid Dynamics )CFD) models to address environmental engineering challenges for more detailed understanding of air pollutant source emissions, atmospheric dispersion and resulting human exposure. CFD simulations ...

  2. PC BEEPOP - A PERSONAL COMPUTER HONEY BEE POPULATION DYNAMICS MODEL

    EPA Science Inventory

    PC BEEPOP is a computer model that simulates honey bee (Apis mellifera L.) colony population dynamics. he model consists of a system of interdependent elements, including colony condition, environmental variability, colony energetics, and contaminant exposure. t includes a mortal...

  3. Extrasynaptic Glutamate Receptor Activation as Cellular Bases for Dynamic Range Compression in Pyramidal Neurons

    PubMed Central

    Oikonomou, Katerina D.; Short, Shaina M.; Rich, Matthew T.; Antic, Srdjan D.

    2012-01-01

    Repetitive synaptic stimulation overcomes the ability of astrocytic processes to clear glutamate from the extracellular space, allowing some dendritic segments to become submerged in a pool of glutamate, for a brief period of time. This dynamic arrangement activates extrasynaptic NMDA receptors located on dendritic shafts. We used voltage-sensitive and calcium-sensitive dyes to probe dendritic function in this glutamate-rich location. An excess of glutamate in the extrasynaptic space was achieved either by repetitive synaptic stimulation or by glutamate iontophoresis onto the dendrites of pyramidal neurons. Two successive activations of synaptic inputs produced a typical NMDA spike, whereas five successive synaptic inputs produced characteristic plateau potentials, reminiscent of cortical UP states. While NMDA spikes were coupled with brief calcium transients highly restricted to the glutamate input site, the dendritic plateau potentials were accompanied by calcium influx along the entire dendritic branch. Once initiated, the glutamate-mediated dendritic plateau potentials could not be interrupted by negative voltage pulses. Activation of extrasynaptic NMDA receptors in cellular compartments void of spines is sufficient to initiate and support plateau potentials. The only requirement for sustained depolarizing events is a surplus of free glutamate near a group of extrasynaptic receptors. Highly non-linear dendritic spikes (plateau potentials) are summed in a highly sublinear fashion at the soma, revealing the cellular bases of signal compression in cortical circuits. Extrasynaptic NMDA receptors provide pyramidal neurons with a function analogous to a dynamic range compression in audio engineering. They limit or reduce the volume of “loud sounds” (i.e., strong glutamatergic inputs) and amplify “quiet sounds” (i.e., glutamatergic inputs that barely cross the dendritic threshold for local spike initiation). Our data also explain why consecutive cortical UP

  4. Alpha-actinin binding kinetics modulate cellular dynamics and force generation

    PubMed Central

    Ehrlicher, Allen J.; Krishnan, Ramaswamy; Guo, Ming; Bidan, Cécile M.; Weitz, David A.; Pollak, Martin R.

    2015-01-01

    The actin cytoskeleton is a key element of cell structure and movement whose properties are determined by a host of accessory proteins. Actin cross-linking proteins create a connected network from individual actin filaments, and though the mechanical effects of cross-linker binding affinity on actin networks have been investigated in reconstituted systems, their impact on cellular forces is unknown. Here we show that the binding affinity of the actin cross-linker α-actinin 4 (ACTN4) in cells modulates cytoplasmic mobility, cellular movement, and traction forces. Using fluorescence recovery after photobleaching, we show that an ACTN4 mutation that causes human kidney disease roughly triples the wild-type binding affinity of ACTN4 to F-actin in cells, increasing the dissociation time from 29 ± 13 to 86 ± 29 s. This increased affinity creates a less dynamic cytoplasm, as demonstrated by reduced intracellular microsphere movement, and an approximate halving of cell speed. Surprisingly, these less motile cells generate larger forces. Using traction force microscopy, we show that increased binding affinity of ACTN4 increases the average contractile stress (from 1.8 ± 0.7 to 4.7 ± 0.5 kPa), and the average strain energy (0.4 ± 0.2 to 2.1 ± 0.4 pJ). We speculate that these changes may be explained by an increased solid-like nature of the cytoskeleton, where myosin activity is more partitioned into tension and less is dissipated through filament sliding. These findings demonstrate the impact of cross-linker point mutations on cell dynamics and forces, and suggest mechanisms by which such physical defects lead to human disease. PMID:25918384

  5. (U) Computation acceleration using dynamic memory

    SciTech Connect

    Hakel, Peter

    2014-10-24

    Many computational applications require the repeated use of quantities, whose calculations can be expensive. In order to speed up the overall execution of the program, it is often advantageous to replace computation with extra memory usage. In this approach, computed values are stored and then, when they are needed again, they are quickly retrieved from memory rather than being calculated again at great cost. Sometimes, however, the precise amount of memory needed to store such a collection is not known in advance, and only emerges in the course of running the calculation. One problem accompanying such a situation is wasted memory space in overdimensioned (and possibly sparse) arrays. Another issue is the overhead of copying existing values to a new, larger memory space, if the original allocation turns out to be insufficient. In order to handle these runtime problems, the programmer therefore has the extra task of addressing them in the code.

  6. Some Aspects of uncertainty in computational fluid dynamics results

    NASA Technical Reports Server (NTRS)

    Mehta, U. B.

    1991-01-01

    Uncertainties are inherent in computational fluid dynamics (CFD). These uncertainties need to be systematically addressed and managed. Sources of these uncertainty analysis are discussed. Some recommendations are made for quantification of CFD uncertainties. A practical method of uncertainty analysis is based on sensitivity analysis. When CFD is used to design fluid dynamic systems, sensitivity-uncertainty analysis is essential.

  7. Computer Visualization of Many-Particle Quantum Dynamics

    SciTech Connect

    Ozhigov, A. Y.

    2009-03-10

    In this paper I show the importance of computer visualization in researching of many-particle quantum dynamics. Such a visualization becomes an indispensable illustrative tool for understanding the behavior of dynamic swarm-based quantum systems. It is also an important component of the corresponding simulation framework, and can simplify the studies of underlying algorithms for multi-particle quantum systems.

  8. Computer Visualization of Many-Particle Quantum Dynamics

    NASA Astrophysics Data System (ADS)

    Ozhigov, A. Y.

    2009-03-01

    In this paper I show the importance of computer visualization in researching of many-particle quantum dynamics. Such a visualization becomes an indispensable illustrative tool for understanding the behavior of dynamic swarm-based quantum systems. It is also an important component of the corresponding simulation framework, and can simplify the studies of underlying algorithms for multi-particle quantum systems.

  9. The Computer Simulation of Liquids by Molecular Dynamics.

    ERIC Educational Resources Information Center

    Smith, W.

    1987-01-01

    Proposes a mathematical computer model for the behavior of liquids using the classical dynamic principles of Sir Isaac Newton and the molecular dynamics method invented by other scientists. Concludes that other applications will be successful using supercomputers to go beyond simple Newtonian physics. (CW)

  10. Computational Methods for Analyzing Fluid Flow Dynamics from Digital Imagery

    SciTech Connect

    Luttman, A.

    2012-03-30

    The main goal (long term) of this work is to perform computational dynamics analysis and quantify uncertainty from vector fields computed directly from measured data. Global analysis based on observed spatiotemporal evolution is performed by objective function based on expected physics and informed scientific priors, variational optimization to compute vector fields from measured data, and transport analysis proceeding with observations and priors. A mathematical formulation for computing flow fields is set up for computing the minimizer for the problem. An application to oceanic flow based on sea surface temperature is presented.

  11. Computational Modeling of Cellular Effects Post-Irradiation with Low- and High-Let Particles and Different Absorbed Doses

    PubMed Central

    Tavares, Adriana Alexandre S.; Tavares, João Manuel R. S.

    2013-01-01

    The use of computational methods to improve the understanding of biological responses to various types of radiation is an approach where multiple parameters can be modelled and a variety of data is generated. This study compares cellular effects modelled for low absorbed doses against high absorbed doses. The authors hypothesized that low and high absorbed doses would contribute to cell killing via different mechanisms, potentially impacting on targeted tumour radiotherapy outcomes. Cellular kinetics following irradiation with selective low- and high-linear energy transfer (LET) particles were investigated using the Virtual Cell (VC) radiobiology algorithm. Two different cell types were assessed using the VC radiobiology algorithm: human fibroblasts and human crypt cells. The results showed that at lower doses (0.01 to 0.2 Gy), all radiation sources used were equally able to induce cell death (p>0.05, ANOVA). On the other hand, at higher doses (1.0 to 8.0 Gy), the radiation response was LET and dose dependent (p<0.05, ANOVA). The data obtained suggests that the computational methods used might provide some insight into the cellular effects following irradiation. The results also suggest that it may be necessary to re-evaluate cellular radiation-induced effects, particularly at low doses that could affect therapeutic effectiveness. PMID:23930101

  12. Dynamic traffic assignment on parallel computers

    SciTech Connect

    Nagel, K.; Frye, R.; Jakob, R.; Rickert, M.; Stretz, P.

    1998-12-01

    The authors describe part of the current framework of the TRANSIMS traffic research project at the Los Alamos National Laboratory. It includes parallel implementations of a route planner and a microscopic traffic simulation model. They present performance figures and results of an offline load-balancing scheme used in one of the iterative re-planning runs required for dynamic route assignment.

  13. Computer program for flexible rotor dynamics analysis

    NASA Technical Reports Server (NTRS)

    Shen, F. A.

    1974-01-01

    Program analyzes general nonaxisymmetric and nonsynchronous transient and steady-state rotor dynamic performance of bending- and shear-wise flexible rotor-bearing system under various operating conditions. Program can be used as analytical study tool for general transient spin-speed and/or non-axisymmetric rotor motion.

  14. Generating dynamic simulations of movement using computed muscle control.

    PubMed

    Thelen, Darryl G; Anderson, Frank C; Delp, Scott L

    2003-03-01

    Computation of muscle excitation patterns that produce coordinated movements of muscle-actuated dynamic models is an important and challenging problem. Using dynamic optimization to compute excitation patterns comes at a large computational cost, which has limited the use of muscle-actuated simulations. This paper introduces a new algorithm, which we call computed muscle control, that uses static optimization along with feedforward and feedback controls to drive the kinematic trajectory of a musculoskeletal model toward a set of desired kinematics. We illustrate the algorithm by computing a set of muscle excitations that drive a 30-muscle, 3-degree-of-freedom model of pedaling to track measured pedaling kinematics and forces. Only 10 min of computer time were required to compute muscle excitations that reproduced the measured pedaling dynamics, which is over two orders of magnitude faster than conventional dynamic optimization techniques. Simulated kinematics were within 1 degrees of experimental values, simulated pedal forces were within one standard deviation of measured pedal forces for nearly all of the crank cycle, and computed muscle excitations were similar in timing to measured electromyographic patterns. The speed and accuracy of this new algorithm improves the feasibility of using detailed musculoskeletal models to simulate and analyze movement. PMID:12594980

  15. Potential applications of computational fluid dynamics to biofluid analysis

    NASA Technical Reports Server (NTRS)

    Kwak, D.; Chang, J. L. C.; Rogers, S. E.; Rosenfeld, M.; Kwak, D.

    1988-01-01

    Computational fluid dynamics was developed to the stage where it has become an indispensable part of aerospace research and design. In view of advances made in aerospace applications, the computational approach can be used for biofluid mechanics research. Several flow simulation methods developed for aerospace problems are briefly discussed for potential applications to biofluids, especially to blood flow analysis.

  16. Parallel Domain Decomposition Preconditioning for Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Barth, Timothy J.; Chan, Tony F.; Tang, Wei-Pai; Kutler, Paul (Technical Monitor)

    1998-01-01

    This viewgraph presentation gives an overview of the parallel domain decomposition preconditioning for computational fluid dynamics. Details are given on some difficult fluid flow problems, stabilized spatial discretizations, and Newton's method for solving the discretized flow equations. Schur complement domain decomposition is described through basic formulation, simplifying strategies (including iterative subdomain and Schur complement solves, matrix element dropping, localized Schur complement computation, and supersparse computations), and performance evaluation.

  17. Impact of Resolution on Simulation of Closed Mesoscale Cellular Convection Identified by Dynamically Guided Watershed Segmentation

    SciTech Connect

    Martini, Matus N.; Gustafson, William I.; Yang, Qing; Xiao, Heng

    2014-11-18

    Organized mesoscale cellular convection (MCC) is a common feature of marine stratocumulus that forms in response to a balance between mesoscale dynamics and smaller scale processes such as cloud radiative cooling and microphysics. We use the Weather Research and Forecasting model with chemistry (WRF-Chem) and fully coupled cloud-aerosol interactions to simulate marine low clouds during the VOCALS-REx campaign over the southeast Pacific. A suite of experiments with 3- and 9-km grid spacing indicates resolution-dependent behavior. The simulations with finer grid spacing have smaller liquid water paths and cloud fractions, while cloud tops are higher. The observed diurnal cycle is reasonably well simulated. To isolate organized MCC characteristics we develop a new automated method, which uses a variation of the watershed segmentation technique that combines the detection of cloud boundaries with a test for coincident vertical velocity characteristics. This ensures that the detected cloud fields are dynamically consistent for closed MCC, the most common MCC type over the VOCALS-REx region. We demonstrate that the 3-km simulation is able to reproduce the scaling between horizontal cell size and boundary layer height seen in satellite observations. However, the 9-km simulation is unable to resolve smaller circulations corresponding to shallower boundary layers, instead producing invariant MCC horizontal scale for all simulated boundary layers depths. The results imply that climate models with grid spacing of roughly 3 km or smaller may be needed to properly simulate the MCC structure in the marine stratocumulus regions.

  18. Traffic dynamics around weaving section influenced by accident: Cellular automata approach

    NASA Astrophysics Data System (ADS)

    Kong, Lin-Peng; Li, Xin-Gang; Lam, William H. K.

    2015-07-01

    The weaving section, as a typical bottleneck, is one source of vehicle conflicts and an accident-prone area. Traffic accident will block lanes and the road capacity will be reduced. Several models have been established to study the dynamics around traffic bottlenecks. However, little attention has been paid to study the complex traffic dynamics influenced by the combined effects of bottleneck and accident. This paper presents a cellular automaton model to characterize accident-induced traffic behavior around the weaving section. Some effective control measures are proposed and verified for traffic management under accident condition. The total flux as a function of inflow rates, the phase diagrams, the spatial-temporal diagrams, and the density and velocity profiles are presented to analyze the impact of accident. It was shown that the proposed control measures for weaving traffic can improve the capacity of weaving section under both normal and accident conditions; the accidents occurring on median lane in the weaving section are more inclined to cause traffic jam and reduce road capacity; the capacity of weaving section will be greatly reduced when the accident happens downstream the weaving section.

  19. Cellular context–mediated Akt dynamics regulates MAP kinase signaling thresholds during angiogenesis

    PubMed Central

    Hellesøy, Monica; Lorens, James B.

    2015-01-01

    The formation of new blood vessels by sprouting angiogenesis is tightly regulated by contextual cues that affect angiogeneic growth factor signaling. Both constitutive activation and loss of Akt kinase activity in endothelial cells impair angiogenesis, suggesting that Akt dynamics mediates contextual microenvironmental regulation. We explored the temporal regulation of Akt in endothelial cells during formation of capillary-like networks induced by cell–cell contact with vascular smooth muscle cells (vSMCs) and vSMC-associated VEGF. Expression of constitutively active Akt1 strongly inhibited network formation, whereas hemiphosphorylated Akt1 epi-alleles with reduced kinase activity had an intermediate inhibitory effect. Conversely, inhibition of Akt signaling did not affect endothelial cell migration or morphogenesis in vSMC cocultures that generate capillary-like structures. We found that endothelial Akt activity is transiently blocked by proteasomal degradation in the presence of SMCs during the initial phase of capillary-like structure formation. Suppressed Akt activity corresponded to the increased endothelial MAP kinase signaling that was required for angiogenic endothelial morphogenesis. These results reveal a regulatory principle by which cellular context regulates Akt protein dynamics, which determines MAP kinase signaling thresholds necessary drive a morphogenetic program during angiogenesis. PMID:26023089

  20. Efficient massively parallel simulation of dynamic channel assignment schemes for wireless cellular communications

    NASA Technical Reports Server (NTRS)

    Greenberg, Albert G.; Lubachevsky, Boris D.; Nicol, David M.; Wright, Paul E.

    1994-01-01

    Fast, efficient parallel algorithms are presented for discrete event simulations of dynamic channel assignment schemes for wireless cellular communication networks. The driving events are call arrivals and departures, in continuous time, to cells geographically distributed across the service area. A dynamic channel assignment scheme decides which call arrivals to accept, and which channels to allocate to the accepted calls, attempting to minimize call blocking while ensuring co-channel interference is tolerably low. Specifically, the scheme ensures that the same channel is used concurrently at different cells only if the pairwise distances between those cells are sufficiently large. Much of the complexity of the system comes from ensuring this separation. The network is modeled as a system of interacting continuous time automata, each corresponding to a cell. To simulate the model, conservative methods are used; i.e., methods in which no errors occur in the course of the simulation and so no rollback or relaxation is needed. Implemented on a 16K processor MasPar MP-1, an elegant and simple technique provides speedups of about 15 times over an optimized serial simulation running on a high speed workstation. A drawback of this technique, typical of conservative methods, is that processor utilization is rather low. To overcome this, new methods were developed that exploit slackness in event dependencies over short intervals of time, thereby raising the utilization to above 50 percent and the speedup over the optimized serial code to about 120 times.

  1. Osmosis : a molecular dynamics computer simulation study

    NASA Astrophysics Data System (ADS)

    Lion, Thomas

    Osmosis is a phenomenon of critical importance in a variety of processes ranging from the transport of ions across cell membranes and the regulation of blood salt levels by the kidneys to the desalination of water and the production of clean energy using potential osmotic power plants. However, despite its importance and over one hundred years of study, there is an ongoing confusion concerning the nature of the microscopic dynamics of the solvent particles in their transfer across the membrane. In this thesis the microscopic dynamical processes underlying osmotic pressure and concentration gradients are investigated using molecular dynamics (MD) simulations. I first present a new derivation for the local pressure that can be used for determining osmotic pressure gradients. Using this result, the steady-state osmotic pressure is studied in a minimal model for an osmotic system and the steady-state density gradients are explained using a simple mechanistic hopping model for the solvent particles. The simulation setup is then modified, allowing us to explore the timescales involved in the relaxation dynamics of the system in the period preceding the steady state. Further consideration is also given to the relative roles of diffusive and non-diffusive solvent transport in this period. Finally, in a novel modification to the classic osmosis experiment, the solute particles are driven out-of-equilibrium by the input of energy. The effect of this modification on the osmotic pressure and the osmotic ow is studied and we find that active solute particles can cause reverse osmosis to occur. The possibility of defining a new "osmotic effective temperature" is also considered and compared to the results of diffusive and kinetic temperatures..

  2. Dynamics of Bottlebrush Networks: A Computational Study

    NASA Astrophysics Data System (ADS)

    Dobrynin, Andrey; Cao, Zhen; Sheiko, Sergei

    We study dynamics of deformation of bottlebrush networks using molecular dynamics simulations and theoretical calculations. Analysis of our simulation results show that the dynamics of bottlebrush network deformation can be described by a Rouse model for polydisperse networks with effective Rouse time of the bottlebrush network strand, τR =τ0Ns2 (Nsc + 1) where, Ns is the number-average degree of polymerization of the bottlebrush backbone strands between crosslinks, Nsc is the degree of polymerization of the side chains and τ0is a characteristic monomeric relaxation time. At time scales t smaller than the Rouse time, t <τR , the time dependent network shear modulus decays with time as G (t) ~ ρkB T(τ0 / t) 1 / 2 , where ρis the monomer number density. However, at the time scale t larger than the Rouse time of the bottlebrush strands between crosslinks, the network response is pure elastic with shear modulus G (t) =G0 , where G0 is the equilibrium shear modulus at small deformation. The stress evolution in the bottlebrush networks can be described by a universal function of t /τR . NSF DMR-1409710.

  3. Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

    2003-01-01

    Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

  4. Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

    2004-01-01

    Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

  5. Functional Contributions of Strong and Weak Cellular Oscillators to Synchrony and Light-shifted Phase Dynamics.

    PubMed

    Roberts, Logan; Leise, Tanya L; Welsh, David K; Holmes, Todd C

    2016-08-01

    Light is the primary signal that calibrates circadian neural circuits and thus coordinates daily physiological and behavioral rhythms with solar entrainment cues. Drosophila and mammalian circadian circuits consist of diverse populations of cellular oscillators that exhibit a wide range of dynamic light responses, periods, phases, and degrees of synchrony. How heterogeneous circadian circuits can generate robust physiological rhythms while remaining flexible enough to respond to synchronizing stimuli has long remained enigmatic. Cryptochrome is a short-wavelength photoreceptor that is endogenously expressed in approximately half of Drosophila circadian neurons. In a previous study, physiological light response was measured using real-time bioluminescence recordings in Drosophila whole-brain explants, which remain intrinsically light-sensitive. Here we apply analysis of real-time bioluminescence experimental data to show detailed dynamic ensemble representations of whole circadian circuit light entrainment at single neuron resolution. Organotypic whole-brain explants were either maintained in constant darkness (DD) for 6 days or exposed to a phase-advancing light pulse on the second day. We find that stronger circadian oscillators support robust overall circuit rhythmicity in DD, whereas weaker oscillators can be pushed toward transient desynchrony and damped amplitude to facilitate a new state of phase-shifted network synchrony. Additionally, we use mathematical modeling to examine how a network composed of distinct oscillator types can give rise to complex dynamic signatures in DD conditions and in response to simulated light pulses. Simulations suggest that complementary coupling mechanisms and a combination of strong and weak oscillators may enable a robust yet flexible circadian network that promotes both synchrony and entrainment. A more complete understanding of how the properties of oscillators and their signaling mechanisms facilitate their distinct roles

  6. A new computational structure for real-time dynamics

    SciTech Connect

    Izaguirre, A. ); Hashimoto, Minoru )

    1992-08-01

    The authors present an efficient structure for the computation of robot dynamics in real time. The fundamental characteristic of this structure is the division of the computation into a high-priority synchronous task and low-priority background tasks, possibly sharing the resources of a conventional computing unit based on commercial microprocessors. The background tasks compute the inertial and gravitational coefficients as well as the forces due to the velocities of the joints. In each control sample period, the high-priority synchronous task computes the product of the inertial coefficients by the accelerations of the joints and performs the summation of the torques due to the velocities and gravitational forces. Kircanski et al. (1986) have shown that the bandwidth of the variation of joint angles and of their velocities is an order of magnitude less than the variation of joint accelerations. This result agrees with the experiments the authors have carried out using a PUMA 260 robot. Two main strategies contribute to reduce the computational burden associated with the evaluation of the dynamic equations. The first involves the use of efficient algorithms for the evaluation of the equations. The second is aimed at reducing the number of dynamic parameters by identifying beforehand the linear dependencies among these parameters, as well as carrying out a significance analysis of the parameters' contribution to the final joint torques. The actual code used to evaluate this dynamic model is entirely computer generated from experimental data, requiring no other manual intervention than performing a campaign of measurements.

  7. Resolving sub-cellular force dynamics using arrays of magnetic microposts

    NASA Astrophysics Data System (ADS)

    Reich, Daniel

    2010-03-01

    The biological response of cells to mechanical forces is integral to both normal cell function and the progression of many diseases, such as hypertensive vascular wall thickening. This likely results from the fact that mechanical stresses can directly affect many cellular processes, including signal transduction, gene expression, growth, differentiation, and survival. The need to understand the relationship between applied forces and the mechanical response of cells as a critical step towards understanding mechanotransduction calls for tools that can apply forces to cells while measuring their contractile response. This talk will describe an approach that simultaneously allows local mechanical stimulation of the adherent surface of a cell and spatially resolved measurement of the local force fields generated throughout the cell in response to this stimulation. Cells are cultured on the top surfaces of arrays of micrometer-scale posts made from a flexible elastomer (PDMS), and the contractile forces generated by an adherent cell bend the posts. Measurements of the displacement of each post allow the contractile force field of the cell to be mapped out with sub-cellular precision. To apply forces to cells, rod- shaped magnetic nanoparticles are embedded in some of the posts so that externally applied magnetic fields selectively deform these ``magnetic posts,'' thereby exerting tunable local, mechanical stresses to the adherent surface of attached cells. Alternatively, magnetic particles bound to or internalized by the cell may be employed to apply forces and torques to the cell. With either approach, measuring the deflection of the surrounding non-magnetic posts probes the full mechanical response of the cell to these stresses. Results that illustrate the temporal dynamics and spatial distribution of the non-local response of fibroblasts and smooth muscle cells to local stresses will be discussed.

  8. Automated Identification of Closed Mesoscale Cellular Convection and Impact of Resolution on Related Mesoscale Dynamics

    NASA Astrophysics Data System (ADS)

    Martini, M.; Gustafson, W. I.; Yang, Q.; Xiao, H.

    2013-12-01

    Organized mesoscale cellular convection (MCC) is a common feature of marine stratocumulus that forms in response to a balance between mesoscale dynamics and smaller scale processes such as cloud radiative cooling and microphysics. Cloud resolving models begin to resolve some, but not all, of these processes with less of the mesoscale dynamics resolved as one progresses from <1 km to 10 km grid spacing. While limited domain cloud resolving models can use high resolution to simulate MCC, global cloud resolving models must resort to using grid spacings closer to 5 to 10 km. This effectively truncates the scales through which the dynamics can act and impacts the MCC characteristics, potentially altering the climate impact of these clouds in climate models. To understand the impact of this truncation, we use the Weather Research and Forecasting model with chemistry (WRF-Chem) and fully coupled cloud-aerosol interactions to simulate marine low clouds during the VOCALS-REx campaign over the Southeast Pacific. A suite of experiments with 1-, 3- and 9-km grid spacing indicates resolution dependent behavior. The simulations with finer grid spacing have lower liquid water paths and cloud fractions, while cloud tops are higher. When compared to observed liquid water paths from GOES and MODIS, the 3-km simulation has better agreement over the coastal regions while the 9-km simulation better agrees over remote regions. The observed diurnal cycle is reasonably well simulated. To isolate organized MCC characteristics we developed a new automated method, which uses a variation of the watershed segmentation technique that combines the detection of cloud boundaries with a test for coincident vertical velocity characteristics. This has the advantage of ensuring that the detected cloud fields are dynamically consistent for closed MCC and helps minimize false detections from secondary circulations. We demonstrate that the 3-km simulation is able to reproduce the scaling between

  9. Exponential rise of dynamical complexity in quantum computing through projections

    PubMed Central

    Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya

    2014-01-01

    The ability of quantum systems to host exponentially complex dynamics has the potential to revolutionize science and technology. Therefore, much effort has been devoted to developing of protocols for computation, communication and metrology, which exploit this scaling, despite formidable technical difficulties. Here we show that the mere frequent observation of a small part of a quantum system can turn its dynamics from a very simple one into an exponentially complex one, capable of universal quantum computation. After discussing examples, we go on to show that this effect is generally to be expected: almost any quantum dynamics becomes universal once ‘observed’ as outlined above. Conversely, we show that any complex quantum dynamics can be ‘purified’ into a simpler one in larger dimensions. We conclude by demonstrating that even local noise can lead to an exponentially complex dynamics. PMID:25300692

  10. Computing interface motion in compressible gas dynamics

    NASA Technical Reports Server (NTRS)

    Mulder, W.; Osher, S.; Sethan, James A.

    1992-01-01

    An analysis is conducted of the coupling of Osher and Sethian's (1988) 'Hamilton-Jacobi' level set formulation of the equations of motion for propagating interfaces to a system of conservation laws for compressible gas dynamics, giving attention to both the conservative and nonconservative differencing of the level set function. The capabilities of the method are illustrated in view of the results of numerical convergence studies of the compressible Rayleigh-Taylor and Kelvin-Helmholtz instabilities for air-air and air-helium boundaries.

  11. Photonic nonlinear transient computing with multiple-delay wavelength dynamics.

    PubMed

    Martinenghi, Romain; Rybalko, Sergei; Jacquot, Maxime; Chembo, Yanne K; Larger, Laurent

    2012-06-15

    We report on the experimental demonstration of a hybrid optoelectronic neuromorphic computer based on a complex nonlinear wavelength dynamics including multiple delayed feedbacks with randomly defined weights. This neuromorphic approach is based on a new paradigm of a brain-inspired computational unit, intrinsically differing from Turing machines. This recent paradigm consists in expanding the input information to be processed into a higher dimensional phase space, through the nonlinear transient response of a complex dynamics excited by the input information. The computed output is then extracted via a linear separation of the transient trajectory in the complex phase space. The hyperplane separation is derived from a learning phase consisting of the resolution of a regression problem. The processing capability originates from the nonlinear transient, resulting in nonlinear transient computing. The computational performance is successfully evaluated on a standard benchmark test, namely, a spoken digit recognition task. PMID:23004274

  12. A new technique for fast dynamic focusing law computing

    NASA Astrophysics Data System (ADS)

    Fritsch, C.; Cruza, J. F.; Brizuela, J.; Camacho, J.; Moreno, J. M.

    2012-05-01

    Dynamic focusing requires computing the individual delays for every element and every focus in the image. This is an easy and relatively fast task if the inspected medium is homogeneous. Nevertheless, some difficulties arise in presence of interfaces (i.e, wedges, immersion, etc.): refraction effects require computing the Snell's law for every focus and element to find the fastest ray entry point in the interface. The process is easy but takes a long time. This work presents a new technique to compute the focusing delays for an equivalent virtual array that operates in the second medium only, thus avoiding any interface. It is nearly as fast as computing the focal laws in the homogeneous case and an order of magnitude faster than Snell's or Fermat's principle based methods. Furthermore, the technique is completely general and can be applied to any equipment having dynamic focusing capabilities. In fact, the technique is especially well suited for real-time focal law computing hardware.

  13. Photonic Nonlinear Transient Computing with Multiple-Delay Wavelength Dynamics

    NASA Astrophysics Data System (ADS)

    Martinenghi, Romain; Rybalko, Sergei; Jacquot, Maxime; Chembo, Yanne K.; Larger, Laurent

    2012-06-01

    We report on the experimental demonstration of a hybrid optoelectronic neuromorphic computer based on a complex nonlinear wavelength dynamics including multiple delayed feedbacks with randomly defined weights. This neuromorphic approach is based on a new paradigm of a brain-inspired computational unit, intrinsically differing from Turing machines. This recent paradigm consists in expanding the input information to be processed into a higher dimensional phase space, through the nonlinear transient response of a complex dynamics excited by the input information. The computed output is then extracted via a linear separation of the transient trajectory in the complex phase space. The hyperplane separation is derived from a learning phase consisting of the resolution of a regression problem. The processing capability originates from the nonlinear transient, resulting in nonlinear transient computing. The computational performance is successfully evaluated on a standard benchmark test, namely, a spoken digit recognition task.

  14. Computational fluid dynamics combustion analysis evaluation

    NASA Technical Reports Server (NTRS)

    Kim, Y. M.; Shang, H. M.; Chen, C. P.; Ziebarth, J. P.

    1992-01-01

    This study involves the development of numerical modelling in spray combustion. These modelling efforts are mainly motivated to improve the computational efficiency in the stochastic particle tracking method as well as to incorporate the physical submodels of turbulence, combustion, vaporization, and dense spray effects. The present mathematical formulation and numerical methodologies can be casted in any time-marching pressure correction methodologies (PCM) such as FDNS code and MAST code. A sequence of validation cases involving steady burning sprays and transient evaporating sprays will be included.

  15. A computer test of holographic flavour dynamics

    NASA Astrophysics Data System (ADS)

    Filev, Veselin G.; O'Connor, Denjoe

    2016-05-01

    We perform computer simulations of the Berkooz-Douglas (BD) matrix model, holographically dual to the D0/D4-brane intersection. We generate the fundamental condensate versus bare mass curve of the theory both holographically and from simulations of the BD model. Our studies show excellent agreement of the two approaches in the deconfined phase of the theory and significant deviations in the confined phase. We argue the discrepancy in the confined phase is explained by the embedding of the D4-brane which yields stronger α' corrections to the condensate in this phase.

  16. Perspective: Computer simulations of long time dynamics.

    PubMed

    Elber, Ron

    2016-02-14

    Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances. PMID:26874473

  17. Perspective: Computer simulations of long time dynamics

    PubMed Central

    Elber, Ron

    2016-01-01

    Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances. PMID:26874473

  18. Dynamics of Numerics & Spurious Behaviors in CFD Computations. Revised

    NASA Technical Reports Server (NTRS)

    Yee, Helen C.; Sweby, Peter K.

    1997-01-01

    The global nonlinear behavior of finite discretizations for constant time steps and fixed or adaptive grid spacings is studied using tools from dynamical systems theory. Detailed analysis of commonly used temporal and spatial discretizations for simple model problems is presented. The role of dynamics in the understanding of long time behavior of numerical integration and the nonlinear stability, convergence, and reliability of using time-marching approaches for obtaining steady-state numerical solutions in computational fluid dynamics (CFD) is explored. The study is complemented with examples of spurious behavior observed in steady and unsteady CFD computations. The CFD examples were chosen to illustrate non-apparent spurious behavior that was difficult to detect without extensive grid and temporal refinement studies and some knowledge from dynamical systems theory. Studies revealed the various possible dangers of misinterpreting numerical simulation of realistic complex flows that are constrained by available computing power. In large scale computations where the physics of the problem under study is not well understood and numerical simulations are the only viable means of solution, extreme care must be taken in both computation and interpretation of the numerical data. The goal of this paper is to explore the important role that dynamical systems theory can play in the understanding of the global nonlinear behavior of numerical algorithms and to aid the identification of the sources of numerical uncertainties in CFD.

  19. Evolving a three-dimensional cellular automata dynamic system constituted of cells-charges for modelling real earthquake activity

    NASA Astrophysics Data System (ADS)

    Sirakoulis, G. Ch.

    2009-04-01

    Greece is referred as the most active seismically region of Europe and one of the top active lands in the world. However, the complexity of the available seismicity information calls for the development of ever more powerful and more reliable computational tools to tackle complex problems associated with proper interpretation of the obtained geophysical information. Cellular Automata (CAs) were showed to be a promising model for earthquake modelling, because certain aspects of the earthquake dynamics, function and evolution can be simulated using several mathematical tools introduced through the use of CAs. In this study, a three-dimensional (3-d) CA dynamic system constituted of cell-charges and taking into account the recorded focal depth, able to simulate real earthquake activity is presented. The whole simulation process of the earthquake activity is evolved with an LC analogue CA model in correspondence to well known earthquake models. The parameterisation of the CA model in terms of potential threshold and geophysical area characteristics is succeeded by applying a standard genetic algorithm (GA) which would extend the model ability to study various hypotheses concerning the seismicity of the region under consideration. As a result, the proposed model optimizes the simulation results, which are compared with the Gutenberg - Richter (GR) scaling relations derived by the use of real data, as well as it expands its validity in broader and different regions of increased hazard. Finally, the hardware implementation of the proposed model is also examined. The FPGA realisation of the proposed 3-d CA based earthquake simulation model will exhibit distinct features that facilitate its utilisation, meaning low-cost, high-speed, compactness and portability. The development and manufacture of the dedicated processor aims at its effective incorporation into an efficient seismographic system. As a result, the dedicated processor could realize the first stage of a

  20. Challenges to computing plasma thruster dynamics

    SciTech Connect

    Smith, G.A. )

    1992-01-01

    This paper describes computational challenges in describing high thrust and I[sub sp] expected from the proposed ion-compressed antimatter nuclear (ICAN) propulsion system. This concept uses antiprotons to induce fission reactions that jump start a microfission/fusion process in a target compressed by low-energy ion beams. The ICAN system could readily provide the high energy density required for interplanetary space missions of short duration. In conventional rocket design, thrust is obtained by expelling a propellant under high pressure through a nozzle. A larger I[sub sp] can be achieved by operating the system at a higher temperature. Full ionization of propellant at high temperature introduces new and challenging questions in the design of plasma thrusters.

  1. Autofluorescence multiphoton microscopy for visualization of tissue morphology and cellular dynamics in murine and human airways

    PubMed Central

    Kretschmer, Sarah; Pieper, Mario; Hüttmann, Gereon; Bölke, Torsten; Wollenberg, Barbara; Marsh, Leigh M; Garn, Holger; König, Peter

    2016-01-01

    The basic understanding of inflammatory airway diseases greatly benefits from imaging the cellular dynamics of immune cells. Current imaging approaches focus on labeling specific cells to follow their dynamics but fail to visualize the surrounding tissue. To overcome this problem, we evaluated autofluorescence multiphoton microscopy for following the motion and interaction of cells in the airways in the context of tissue morphology. Freshly isolated murine tracheae from healthy mice and mice with experimental allergic airway inflammation were examined by autofluorescence multiphoton microscopy. In addition, fluorescently labeled ovalbumin and fluorophore-labeled antibodies were applied to visualize antigen uptake and to identify specific cell populations, respectively. The trachea in living mice was imaged to verify that the ex vivo preparation reflects the in vivo situation. Autofluorescence multiphoton microscopy was also tested to examine human tissue from patients in short-term tissue culture. Using autofluorescence, the epithelium, underlying cells, and fibers of the connective tissue, as well as blood vessels, were identified in isolated tracheae. Similar structures were visualized in living mice and in the human airway tissue. In explanted murine airways, mobile cells were localized within the tissue and we could follow their migration, interactions between individual cells, and their phagocytic activity. During allergic airway inflammation, increased number of eosinophil and neutrophil granulocytes were detected that moved within the connective tissue and immediately below the epithelium without damaging the epithelial cells or connective tissues. Contacts between granulocytes were transient lasting 3 min on average. Unexpectedly, prolonged interactions between granulocytes and antigen-uptaking cells were observed lasting for an average of 13 min. Our results indicate that autofluorescence-based imaging can detect previously unknown immune cell

  2. Autofluorescence multiphoton microscopy for visualization of tissue morphology and cellular dynamics in murine and human airways.

    PubMed

    Kretschmer, Sarah; Pieper, Mario; Hüttmann, Gereon; Bölke, Torsten; Wollenberg, Barbara; Marsh, Leigh M; Garn, Holger; König, Peter

    2016-08-01

    The basic understanding of inflammatory airway diseases greatly benefits from imaging the cellular dynamics of immune cells. Current imaging approaches focus on labeling specific cells to follow their dynamics but fail to visualize the surrounding tissue. To overcome this problem, we evaluated autofluorescence multiphoton microscopy for following the motion and interaction of cells in the airways in the context of tissue morphology. Freshly isolated murine tracheae from healthy mice and mice with experimental allergic airway inflammation were examined by autofluorescence multiphoton microscopy. In addition, fluorescently labeled ovalbumin and fluorophore-labeled antibodies were applied to visualize antigen uptake and to identify specific cell populations, respectively. The trachea in living mice was imaged to verify that the ex vivo preparation reflects the in vivo situation. Autofluorescence multiphoton microscopy was also tested to examine human tissue from patients in short-term tissue culture. Using autofluorescence, the epithelium, underlying cells, and fibers of the connective tissue, as well as blood vessels, were identified in isolated tracheae. Similar structures were visualized in living mice and in the human airway tissue. In explanted murine airways, mobile cells were localized within the tissue and we could follow their migration, interactions between individual cells, and their phagocytic activity. During allergic airway inflammation, increased number of eosinophil and neutrophil granulocytes were detected that moved within the connective tissue and immediately below the epithelium without damaging the epithelial cells or connective tissues. Contacts between granulocytes were transient lasting 3 min on average. Unexpectedly, prolonged interactions between granulocytes and antigen-uptaking cells were observed lasting for an average of 13 min. Our results indicate that autofluorescence-based imaging can detect previously unknown immune cell

  3. SD-CAS: Spin Dynamics by Computer Algebra System.

    PubMed

    Filip, Xenia; Filip, Claudiu

    2010-11-01

    A computer algebra tool for describing the Liouville-space quantum evolution of nuclear 1/2-spins is introduced and implemented within a computational framework named Spin Dynamics by Computer Algebra System (SD-CAS). A distinctive feature compared with numerical and previous computer algebra approaches to solving spin dynamics problems results from the fact that no matrix representation for spin operators is used in SD-CAS, which determines a full symbolic character to the performed computations. Spin correlations are stored in SD-CAS as four-entry nested lists of which size increases linearly with the number of spins into the system and are easily mapped into analytical expressions in terms of spin operator products. For the so defined SD-CAS spin correlations a set of specialized functions and procedures is introduced that are essential for implementing basic spin algebra operations, such as the spin operator products, commutators, and scalar products. They provide results in an abstract algebraic form: specific procedures to quantitatively evaluate such symbolic expressions with respect to the involved spin interaction parameters and experimental conditions are also discussed. Although the main focus in the present work is on laying the foundation for spin dynamics symbolic computation in NMR based on a non-matrix formalism, practical aspects are also considered throughout the theoretical development process. In particular, specific SD-CAS routines have been implemented using the YACAS computer algebra package (http://yacas.sourceforge.net), and their functionality was demonstrated on a few illustrative examples. PMID:20843716

  4. Dynamic Deformation and Fragmentation Response of Maraging Steel Linear Cellular Alloy

    NASA Astrophysics Data System (ADS)

    Jakus, Adam; Fredenburg, D. A.; McCoy, T.; Thadhani, N. N.; Cochran, J.

    2011-06-01

    The dynamic deformation and fragmentation response of 25% dense 9-cell linear cellular alloy (LCA) made of unaged 250 maraging steel, fabricated using a direct reduction and extrusion technique, is investigated. Explicit finite element simulations were implemented using AUTODYN. The maraging steel properties were defined using a Johnson-Cook strength model with previously validated parameters. Rod-on-anvil impact tests were performed using the 7.6 mm helium gas gun and the transient deformation and fragmentation response was recorded with high-speed imaging. For purpose of comparison, the response of 25% dense hollow cylinders of same density as the 9-cell LCA was also studied. Analysis of observed states of specimens and finite element simulations reveal that in the case of the 9-cell LCA, dissipation of stress and strain occurs along the interior cell wells resulting in significant and ubiquitous buckling prior to confined fragmentation. In comparison, the simple hollow cylinder undergoes significant radial lipping, eventually producing larger sized, external fragments. DTRA Grant No. HDTRA1-07-1-0018 and NDSEG Fellowship Program.

  5. Single-cell RNA-seq reveals dynamic paracrine control of cellular variation.

    PubMed

    Shalek, Alex K; Satija, Rahul; Shuga, Joe; Trombetta, John J; Gennert, Dave; Lu, Diana; Chen, Peilin; Gertner, Rona S; Gaublomme, Jellert T; Yosef, Nir; Schwartz, Schraga; Fowler, Brian; Weaver, Suzanne; Wang, Jing; Wang, Xiaohui; Ding, Ruihua; Raychowdhury, Raktima; Friedman, Nir; Hacohen, Nir; Park, Hongkun; May, Andrew P; Regev, Aviv

    2014-06-19

    High-throughput single-cell transcriptomics offers an unbiased approach for understanding the extent, basis and function of gene expression variation between seemingly identical cells. Here we sequence single-cell RNA-seq libraries prepared from over 1,700 primary mouse bone-marrow-derived dendritic cells spanning several experimental conditions. We find substantial variation between identically stimulated dendritic cells, in both the fraction of cells detectably expressing a given messenger RNA and the transcript's level within expressing cells. Distinct gene modules are characterized by different temporal heterogeneity profiles. In particular, a 'core' module of antiviral genes is expressed very early by a few 'precocious' cells in response to uniform stimulation with a pathogenic component, but is later activated in all cells. By stimulating cells individually in sealed microfluidic chambers, analysing dendritic cells from knockout mice, and modulating secretion and extracellular signalling, we show that this response is coordinated by interferon-mediated paracrine signalling from these precocious cells. Notably, preventing cell-to-cell communication also substantially reduces variability between cells in the expression of an early-induced 'peaked' inflammatory module, suggesting that paracrine signalling additionally represses part of the inflammatory program. Our study highlights the importance of cell-to-cell communication in controlling cellular heterogeneity and reveals general strategies that multicellular populations can use to establish complex dynamic responses. PMID:24919153

  6. An archived multi-objective simulated annealing for a dynamic cellular manufacturing system

    NASA Astrophysics Data System (ADS)

    Shirazi, Hossein; Kia, Reza; Javadian, Nikbakhsh; Tavakkoli-Moghaddam, Reza

    2014-05-01

    To design a group layout of a cellular manufacturing system (CMS) in a dynamic environment, a multi-objective mixed-integer non-linear programming model is developed. The model integrates cell formation, group layout and production planning (PP) as three interrelated decisions involved in the design of a CMS. This paper provides an extensive coverage of important manufacturing features used in the design of CMSs and enhances the flexibility of an existing model in handling the fluctuations of part demands more economically by adding machine depot and PP decisions. Two conflicting objectives to be minimized are the total costs and the imbalance of workload among cells. As the considered objectives in this model are in conflict with each other, an archived multi-objective simulated annealing (AMOSA) algorithm is designed to find Pareto-optimal solutions. Matrix-based solution representation, a heuristic procedure generating an initial and feasible solution and efficient mutation operators are the advantages of the designed AMOSA. To demonstrate the efficiency of the proposed algorithm, the performance of AMOSA is compared with an exact algorithm (i.e., ∈-constraint method) solved by the GAMS software and a well-known evolutionary algorithm, namely NSGA-II for some randomly generated problems based on some comparison metrics. The obtained results show that the designed AMOSA can obtain satisfactory solutions for the multi-objective model.

  7. Identification of Dynamic Changes in Proteins Associated with the Cellular Cytoskeleton after Exposure to Okadaic Acid

    PubMed Central

    Opsahl, Jill A.; Ljostveit, Sonja; Solstad, Therese; Risa, Kristin; Roepstorff, Peter; Fladmark, Kari E.

    2013-01-01

    Exposure of cells to the diarrhetic shellfish poison, okadaic acid, leads to a dramatic reorganization of cytoskeletal architecture and loss of cell-cell contact. When cells are exposed to high concentrations of okadaic acid (100–500 nM), the morphological rearrangement is followed by apoptotic cell death. Okadaic acid inhibits the broad acting Ser/Thr protein phosphatases 1 and 2A, which results in hyperphosphorylation of a large number of proteins. Some of these hyperphosphorylated proteins are most likely key players in the reorganization of the cell morphology induced by okadaic acid. We wanted to identify these phosphoproteins and searched for them in the cellular lipid rafts, which have been found to contain proteins that regulate cytoskeletal dynamics and cell adhesion. By using stable isotope labeling by amino acids in cell culture cells treated with okadaic acid (400 nM) could be combined with control cells before the isolation of lipid rafts. Protein phosphorylation events and translocations induced by okadaic acid were identified by mass spectrometry. Okadaic acid was shown to regulate the phosphorylation status and location of proteins associated with the actin cytoskeleton, microtubules and cell adhesion structures. A large number of these okadaic acid-regulated proteins have previously also been shown to be similarly regulated prior to cell proliferation and migration. Our results suggest that okadaic acid activates general cell signaling pathways that induce breakdown of the cortical actin cytoskeleton and cell detachment. PMID:23708184

  8. Complex dynamics of selection and cellular memory in adaptation to a changing environment

    NASA Astrophysics Data System (ADS)

    Kussell, Edo; Lin, Wei-Hsiang

    We study a synthetic evolutionary system in bacteria in which an antibiotic resistance gene is controlled by a stochastic on/off switching promoter. At the population level, this system displays all the basic ingredients for evolutionary selection, including diversity, fitness differences, and heritability. At the single cell level, physiological processes can modulate the ability of selection to act. We expose the stochastic switching strains to pulses of antibiotics of different durations in periodically changing environments using microfluidics. Small populations are tracked over a large number of periods at single cell resolution, allowing the visualization and quantification of selective sweeps and counter-sweeps at the population level, as well as detailed single cell analysis. A simple model is introduced to predict long-term population growth rates from single cell measurements, and reveals unexpected aspects of population dynamics, including cellular memory that acts on a fast timescale to modulate growth rates. This work is supported by NIH Grant No. R01-GM097356.

  9. Single-cell RNA-seq reveals dynamic paracrine control of cellular variation

    NASA Astrophysics Data System (ADS)

    Shalek, Alex K.; Satija, Rahul; Shuga, Joe; Trombetta, John J.; Gennert, Dave; Lu, Diana; Chen, Peilin; Gertner, Rona S.; Gaublomme, Jellert T.; Yosef, Nir; Schwartz, Schraga; Fowler, Brian; Weaver, Suzanne; Wang, Jing; Wang, Xiaohui; Ding, Ruihua; Raychowdhury, Raktima; Friedman, Nir; Hacohen, Nir; Park, Hongkun; May, Andrew P.; Regev, Aviv

    2014-06-01

    High-throughput single-cell transcriptomics offers an unbiased approach for understanding the extent, basis and function of gene expression variation between seemingly identical cells. Here we sequence single-cell RNA-seq libraries prepared from over 1,700 primary mouse bone-marrow-derived dendritic cells spanning several experimental conditions. We find substantial variation between identically stimulated dendritic cells, in both the fraction of cells detectably expressing a given messenger RNA and the transcript's level within expressing cells. Distinct gene modules are characterized by different temporal heterogeneity profiles. In particular, a `core' module of antiviral genes is expressed very early by a few `precocious' cells in response to uniform stimulation with a pathogenic component, but is later activated in all cells. By stimulating cells individually in sealed microfluidic chambers, analysing dendritic cells from knockout mice, and modulating secretion and extracellular signalling, we show that this response is coordinated by interferon-mediated paracrine signalling from these precocious cells. Notably, preventing cell-to-cell communication also substantially reduces variability between cells in the expression of an early-induced `peaked' inflammatory module, suggesting that paracrine signalling additionally represses part of the inflammatory program. Our study highlights the importance of cell-to-cell communication in controlling cellular heterogeneity and reveals general strategies that multicellular populations can use to establish complex dynamic responses.

  10. Highly Dynamic Cellular-Level Response of Symbiotic Coral to a Sudden Increase in Environmental Nitrogen

    PubMed Central

    Kopp, C.; Pernice, M.; Domart-Coulon, I.; Djediat, C.; Spangenberg, J. E.; Alexander, D. T. L.; Hignette, M.; Meziane, T.; Meibom, A.

    2013-01-01

    ABSTRACT Metabolic interactions with endosymbiotic photosynthetic dinoflagellate Symbiodinium spp. are fundamental to reef-building corals (Scleractinia) thriving in nutrient-poor tropical seas. Yet, detailed understanding at the single-cell level of nutrient assimilation, translocation, and utilization within this fundamental symbiosis is lacking. Using pulse-chase 15N labeling and quantitative ion microprobe isotopic imaging (NanoSIMS; nanoscale secondary-ion mass spectrometry), we visualized these dynamic processes in tissues of the symbiotic coral Pocillopora damicornis at the subcellular level. Assimilation of ammonium, nitrate, and aspartic acid resulted in rapid incorporation of nitrogen into uric acid crystals (after ~45 min), forming temporary N storage sites within the dinoflagellate endosymbionts. Subsequent intracellular remobilization of this metabolite was accompanied by translocation of nitrogenous compounds to the coral host, starting at ~6 h. Within the coral tissue, nitrogen is utilized in specific cellular compartments in all four epithelia, including mucus chambers, Golgi bodies, and vesicles in calicoblastic cells. Our study shows how nitrogen-limited symbiotic corals take advantage of sudden changes in nitrogen availability; this opens new perspectives for functional studies of nutrient storage and remobilization in microbial symbioses in changing reef environments. PMID:23674611

  11. Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI)

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Aboard the International Space Station (ISS), the Tissue Culture Module (TCM) is the stationary bioreactor vessel in which cell cultures grow. However, for the Cellular Biotechnology Operations Support Systems-Fluid Dynamics Investigation (CBOSS-FDI), color polystyrene beads are used to measure the effectiveness of various mixing procedures. Uniform mixing is a crucial component of CBOSS experiments involving the immune response of human lymphoid cell suspensions. In this picture, the beads are trapped in the injection port shortly after injection. Swirls of beads indicate, event to the naked eye, the contents of the TCM are not fully mixed. The beads are similar in size and density to human lymphoid cells. The goal is to develop procedures that are both convenient for the flight crew and are optimal in providing uniform and reproducible mixing of all components, including cells. The average bead density in a well mixed TCM will be uniform, with no bubbles, and it will be measured using the absorption of light

  12. Laminar, cellular, transverse, and multiheaded pulsating detonations in condensed phase energetic materials from molecular dynamics simulations.

    PubMed

    Zhakhovsky, Vasily V; Budzevich, Mikalai M; Landerville, Aaron C; Oleynik, Ivan I; White, Carter T

    2014-09-01

    The development of condensed-phase detonation instabilities is simulated using moving window molecular dynamics and a generic AB model of a high explosive. It is found that an initially planar detonation front with one-dimensional flow can become unstable through development of transverse perturbations resulting in highly inhomogeneous and complex two- and three-dimensional distributions of pressure and other variables within the detonation front. Chemical reactions are initiated in localized transverse shock fronts and Mach stems with a pressure and temperature higher than those predicted by classic Zel'dovich, von Neumann, and Doering detonation theory. The two-dimensional cellular and transverse and three-dimensional pulsating detonation structures are found by varying the physico-chemical properties of AB energetic material, sample geometry, and boundary conditions. The different regimes of condensed-phase detonation that can develop from instabilities within a planar detonation front exhibit structures, although at a much smaller scale, that are similar to those observed in gases and diluted liquids. PMID:25314569

  13. Local extracellular matrix alignment directs cellular protrusion dynamics and migration through Rac1 and FAK.

    PubMed

    Carey, Shawn P; Goldblatt, Zachary E; Martin, Karen E; Romero, Bethsabe; Williams, Rebecca M; Reinhart-King, Cynthia A

    2016-08-01

    Cell migration within 3D interstitial microenvironments is sensitive to extracellular matrix (ECM) properties, but the mechanisms that regulate migration guidance by 3D matrix features remain unclear. To examine the mechanisms underlying the cell migration response to aligned ECM, which is prevalent at the tumor-stroma interface, we utilized time-lapse microscopy to compare the behavior of MDA-MB-231 breast adenocarcinoma cells within randomly organized and well-aligned 3D collagen ECM. We developed a novel experimental system in which cellular morphodynamics during initial 3D cell spreading served as a reductionist model for the complex process of matrix-directed 3D cell migration. Using this approach, we found that ECM alignment induced spatial anisotropy of cells' matrix probing by promoting protrusion frequency, persistence, and lengthening along the alignment axis and suppressing protrusion dynamics orthogonal to alignment. Preference for on-axis behaviors was dependent upon FAK and Rac1 signaling and translated across length and time scales such that cells within aligned ECM exhibited accelerated elongation, front-rear polarization, and migration relative to cells in random ECM. Together, these findings indicate that adhesive and protrusive signaling allow cells to respond to coordinated physical cues in the ECM, promoting migration efficiency and cell migration guidance by 3D matrix structure. PMID:27384462

  14. Multithreaded Model for Dynamic Load Balancing Parallel Adaptive PDE Computations

    NASA Technical Reports Server (NTRS)

    Chrisochoides, Nikos

    1995-01-01

    We present a multithreaded model for the dynamic load-balancing of numerical, adaptive computations required for the solution of Partial Differential Equations (PDE's) on multiprocessors. Multithreading is used as a means of exploring concurrency in the processor level in order to tolerate synchronization costs inherent to traditional (non-threaded) parallel adaptive PDE solvers. Our preliminary analysis for parallel, adaptive PDE solvers indicates that multithreading can be used an a mechanism to mask overheads required for the dynamic balancing of processor workloads with computations required for the actual numerical solution of the PDE's. Also, multithreading can simplify the implementation of dynamic load-balancing algorithms, a task that is very difficult for traditional data parallel adaptive PDE computations. Unfortunately, multithreading does not always simplify program complexity, often makes code re-usability not an easy task, and increases software complexity.

  15. Computational fluid dynamic modelling of cavitation

    NASA Technical Reports Server (NTRS)

    Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

    1993-01-01

    Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

  16. Inference of tumor evolution during chemotherapy by computational modeling and in situ analysis of cellular diversity for genetic and phenotypic features

    PubMed Central

    Almendro, Vanessa; Cheng, Yu-Kang; Randles, Amanda; Itzkovitz, Shalev; Marusyk, Andriy; Ametller, Elisabet; Gonzalez-Farre, Xavier; Muñoz, Montse; Russnes, Hege G.; Helland, Åslaug; Rye, Inga H.; Borresen-Dale, Anne-Lise; Maruyama, Reo; van Oudenaarden, Alexander; Dowsett, Mitchell; Jones, Robin L.; Reis-Filho, Jorge; Gascon, Pere; Gönen, Mithat; Michor, Franziska; Polyak, Kornelia

    2014-01-01

    SUMMARY Cancer therapy exerts a strong selection pressure that shapes tumor evolution, yet our knowledge of how tumors change during treatment is limited. Here we report the analysis of cellular heterogeneity for genetic and phenotypic features and their spatial distribution in breast tumors pre- and post-neoadjuvant chemotherapy. We found that intratumor genetic diversity was tumor subtype-specific and it did not change during treatment in tumors with partial or no response. However, lower pre-treatment genetic diversity was significantly associated with complete pathologic response. In contrast, phenotypic diversity was different between pre- and post-treatment samples. We also observed significant changes in the spatial distribution of cells with distinct genetic and phenotypic features. We used these experimental data to develop a stochastic computational model to infer tumor growth patterns and evolutionary dynamics. Our results highlight the importance of integrated analysis of genotypes and phenotypes of single cells in intact tissues to predict tumor evolution. PMID:24462293

  17. Computational fluid dynamics - Current capabilities and directions for the future

    NASA Technical Reports Server (NTRS)

    Kutler, Paul

    1989-01-01

    Computational fluid dynamics (CFD) has made great strides in the detailed simulation of complex fluid flows, including some of those not before understood. It is now being routinely applied to some rather complicated problems and starting to affect the design cycle of aerospace flight vehicles and their components. It is being used to complement, and is being complemented by, experimental studies. Several examples are presented in the paper to illustrate the current state of the art. Included is a discussion of the barriers to accomplishing the basic objective of numerical simulation. In addition, the directions for the future in the discipline of computational fluid dynamics are addressed.

  18. Qualification of a computer program for drill string dynamics

    SciTech Connect

    Stone, C.M.; Carne, T.G.; Caskey, B.C.

    1985-01-01

    A four point plan for the qualification of the GEODYN drill string dynamics computer program is described. The qualification plan investigates both modal response and transient response of a short drill string subjected to simulated cutting loads applied through a polycrystalline diamond compact (PDC) bit. The experimentally based qualification shows that the analytical techniques included in Phase 1 GEODYN correctly simulate the dynamic response of the bit-drill string system. 6 refs., 8 figs.

  19. Forward and adjoint sensitivity computation of chaotic dynamical systems

    SciTech Connect

    Wang, Qiqi

    2013-02-15

    This paper describes a forward algorithm and an adjoint algorithm for computing sensitivity derivatives in chaotic dynamical systems, such as the Lorenz attractor. The algorithms compute the derivative of long time averaged “statistical” quantities to infinitesimal perturbations of the system parameters. The algorithms are demonstrated on the Lorenz attractor. We show that sensitivity derivatives of statistical quantities can be accurately estimated using a single, short trajectory (over a time interval of 20) on the Lorenz attractor.

  20. Computational Fluid Dynamics. [numerical methods and algorithm development

    NASA Technical Reports Server (NTRS)

    1992-01-01

    This collection of papers was presented at the Computational Fluid Dynamics (CFD) Conference held at Ames Research Center in California on March 12 through 14, 1991. It is an overview of CFD activities at NASA Lewis Research Center. The main thrust of computational work at Lewis is aimed at propulsion systems. Specific issues related to propulsion CFD and associated modeling will also be presented. Examples of results obtained with the most recent algorithm development will also be presented.

  1. Amoeba-inspired nanoarchitectonic computing: solving intractable computational problems using nanoscale photoexcitation transfer dynamics.

    PubMed

    Aono, Masashi; Naruse, Makoto; Kim, Song-Ju; Wakabayashi, Masamitsu; Hori, Hirokazu; Ohtsu, Motoichi; Hara, Masahiko

    2013-06-18

    Biologically inspired computing devices and architectures are expected to overcome the limitations of conventional technologies in terms of solving computationally demanding problems, adapting to complex environments, reducing energy consumption, and so on. We previously demonstrated that a primitive single-celled amoeba (a plasmodial slime mold), which exhibits complex spatiotemporal oscillatory dynamics and sophisticated computing capabilities, can be used to search for a solution to a very hard combinatorial optimization problem. We successfully extracted the essential spatiotemporal dynamics by which the amoeba solves the problem. This amoeba-inspired computing paradigm can be implemented by various physical systems that exhibit suitable spatiotemporal dynamics resembling the amoeba's problem-solving process. In this Article, we demonstrate that photoexcitation transfer phenomena in certain quantum nanostructures mediated by optical near-field interactions generate the amoebalike spatiotemporal dynamics and can be used to solve the satisfiability problem (SAT), which is the problem of judging whether a given logical proposition (a Boolean formula) is self-consistent. SAT is related to diverse application problems in artificial intelligence, information security, and bioinformatics and is a crucially important nondeterministic polynomial time (NP)-complete problem, which is believed to become intractable for conventional digital computers when the problem size increases. We show that our amoeba-inspired computing paradigm dramatically outperforms a conventional stochastic search method. These results indicate the potential for developing highly versatile nanoarchitectonic computers that realize powerful solution searching with low energy consumption. PMID:23565603

  2. Modeling and Computer Simulation: Molecular Dynamics and Kinetic Monte Carlo

    SciTech Connect

    Wirth, B.D.; Caturla, M.J.; Diaz de la Rubia, T.

    2000-10-10

    Recent years have witnessed tremendous advances in the realistic multiscale simulation of complex physical phenomena, such as irradiation and aging effects of materials, made possible by the enormous progress achieved in computational physics for calculating reliable, yet tractable interatomic potentials and the vast improvements in computational power and parallel computing. As a result, computational materials science is emerging as an important complement to theory and experiment to provide fundamental materials science insight. This article describes the atomistic modeling techniques of molecular dynamics (MD) and kinetic Monte Carlo (KMC), and an example of their application to radiation damage production and accumulation in metals. It is important to note at the outset that the primary objective of atomistic computer simulation should be obtaining physical insight into atomic-level processes. Classical molecular dynamics is a powerful method for obtaining insight about the dynamics of physical processes that occur on relatively short time scales. Current computational capability allows treatment of atomic systems containing as many as 10{sup 9} atoms for times on the order of 100 ns (10{sup -7}s). The main limitation of classical MD simulation is the relatively short times accessible. Kinetic Monte Carlo provides the ability to reach macroscopic times by modeling diffusional processes and time-scales rather than individual atomic vibrations. Coupling MD and KMC has developed into a powerful, multiscale tool for the simulation of radiation damage in metals.

  3. A Combined Geometric Approach for Computational Fluid Dynamics on Dynamic Grids

    NASA Technical Reports Server (NTRS)

    Slater, John W.

    1995-01-01

    A combined geometric approach for computational fluid dynamics is presented for the analysis of unsteady flow about mechanisms in which its components are in moderate relative motion. For a CFD analysis, the total dynamics problem involves the dynamics of the aspects of geometry modeling, grid generation, and flow modeling. The interrelationships between these three aspects allow for a more natural formulation of the problem and the sharing of information which can be advantageous to the computation of the dynamics. The approach is applied to planar geometries with the use of an efficient multi-block, structured grid generation method to compute unsteady, two-dimensional and axisymmetric flow. The applications presented include the computation of the unsteady, inviscid flow about a hinged-flap with flap deflections and a high-speed inlet with centerbody motion as part of the unstart / restart operation.

  4. A model of cerebellar computations for dynamical state estimation

    NASA Technical Reports Server (NTRS)

    Paulin, M. G.; Hoffman, L. F.; Assad, C.

    2001-01-01

    The cerebellum is a neural structure that is essential for agility in vertebrate movements. Its contribution to motor control appears to be due to a fundamental role in dynamical state estimation, which also underlies its role in various non-motor tasks. Single spikes in vestibular sensory neurons carry information about head state. We show how computations for optimal dynamical state estimation may be accomplished when signals are encoded in spikes. This provides a novel way to design dynamical state estimators, and a novel way to interpret the structure and function of the cerebellum.

  5. Remote Visualization and Remote Collaboration On Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Watson, Val; Lasinski, T. A. (Technical Monitor)

    1995-01-01

    A new technology has been developed for remote visualization that provides remote, 3D, high resolution, dynamic, interactive viewing of scientific data (such as fluid dynamics simulations or measurements). Based on this technology, some World Wide Web sites on the Internet are providing fluid dynamics data for educational or testing purposes. This technology is also being used for remote collaboration in joint university, industry, and NASA projects in computational fluid dynamics and wind tunnel testing. Previously, remote visualization of dynamic data was done using video format (transmitting pixel information) such as video conferencing or MPEG movies on the Internet. The concept for this new technology is to send the raw data (e.g., grids, vectors, and scalars) along with viewing scripts over the Internet and have the pixels generated by a visualization tool running on the viewer's local workstation. The visualization tool that is currently used is FAST (Flow Analysis Software Toolkit).

  6. Closed-form stochastic solutions for non-equilibrium dynamics and inheritance of cellular components over many cell divisions

    PubMed Central

    Johnston, Iain G.; Jones, Nick S.

    2015-01-01

    Stochastic dynamics govern many important processes in cellular biology, and an underlying theoretical approach describing these dynamics is desirable to address a wealth of questions in biology and medicine. Mathematical tools exist for treating several important examples of these stochastic processes, most notably gene expression and random partitioning at single-cell divisions or after a steady state has been reached. Comparatively little work exists exploring different and specific ways that repeated cell divisions can lead to stochastic inheritance of unequilibrated cellular populations. Here we introduce a mathematical formalism to describe cellular agents that are subject to random creation, replication and/or degradation, and are inherited according to a range of random dynamics at cell divisions. We obtain closed-form generating functions describing systems at any time after any number of cell divisions for binomial partitioning and divisions provoking a deterministic or random, subtractive or additive change in copy number, and show that these solutions agree exactly with stochastic simulation. We apply this general formalism to several example problems involving the dynamics of mitochondrial DNA during development and organismal lifetimes. PMID:26339194

  7. Cellular dynamical mechanisms for encoding the time and place of events along spatiotemporal trajectories in episodic memory

    PubMed Central

    Hasselmo, Michael E.; Giocomo, Lisa M.; Yoshida, Motoharu

    2010-01-01

    Understanding the mechanisms of episodic memory requires linking behavioural data and lesion effects to data on the dynamics of cellular membrane potentials and population interactions within these brain regions. Linking behavior to specific membrane channels and neurochemicals has implications for therapeutic applications. Lesions of the hippocampus, entorhinal cortex and subcortical nuclei impair episodic memory function in humans and animals, and unit recording data from these regions in behaving animals indicate episodic memory processes. Intracellular recording in these regions demonstrates specific cellular properties including resonance, membrane potential oscillations and bistable persistent spiking that could underlie the encoding and retrieval of episodic trajectories. A model presented here shows how intrinsic dynamical properties of neurons could mediate the encoding of episodic memories as complex spatiotemporal trajectories. The dynamics of neurons allow encoding and retrieval of unique episodic trajectories in multiple continuous dimensions including temporal intervals, personal location, the spatial coordinates and sensory features of perceived objects and generated actions, and associations between these elements. The model also addresses how cellular dynamics could underlie unit firing data suggesting mechanisms for coding continuous dimensions of space, time, sensation and action. PMID:20018213

  8. Analysis of the local organization and dynamics of cellular actin networks

    PubMed Central

    Luo, Weiwei; Yu, Cheng-han; Lieu, Zi Zhao; Allard, Jun; Mogilner, Alex; Sheetz, Michael P.

    2013-01-01

    A ctin filaments, with the aid of multiple accessory proteins, self-assemble into a variety of network patterns. We studied the organization and dynamics of the actin network in nonadhesive regions of cells bridging fibronectin-coated adhesive strips. The network was formed by actin nodes associated with and linked by myosin II and containing the formin disheveled-associated activator of morphogenesis 1 (DAAM1) and the cross-linker filamin A (FlnA). After Latrunculin A (LatA) addition, actin nodes appeared to be more prominent and demonstrated drift-diffusion motion. Superresolution microscopy revealed that, in untreated cells, DAAM1 formed patches with a similar spatial arrangement to the actin nodes. Node movement (diffusion coefficient and velocity) in LatA-treated cells was dependent on the level and activity of myosin IIA, DAAM1, and FlnA. Based on our results, we developed a computational model of the dynamic formin-filamin-actin asters that can self-organize into a contractile actomyosin network. We suggest that such networks are critical for connecting distant parts of the cell to maintain the mechanical coherence of the cytoplasm. PMID:24081490

  9. Analysis of the local organization and dynamics of cellular actin networks.

    PubMed

    Luo, Weiwei; Yu, Cheng-han; Lieu, Zi Zhao; Allard, Jun; Mogilner, Alex; Sheetz, Michael P; Bershadsky, Alexander D

    2013-09-30

    Actin filaments, with the aid of multiple accessory proteins, self-assemble into a variety of network patterns. We studied the organization and dynamics of the actin network in nonadhesive regions of cells bridging fibronectin-coated adhesive strips. The network was formed by actin nodes associated with and linked by myosin II and containing the formin disheveled-associated activator of morphogenesis 1 (DAAM1) and the cross-linker filamin A (FlnA). After Latrunculin A (LatA) addition, actin nodes appeared to be more prominent and demonstrated drift-diffusion motion. Superresolution microscopy revealed that, in untreated cells, DAAM1 formed patches with a similar spatial arrangement to the actin nodes. Node movement (diffusion coefficient and velocity) in LatA-treated cells was dependent on the level and activity of myosin IIA, DAAM1, and FlnA. Based on our results, we developed a computational model of the dynamic formin-filamin-actin asters that can self-organize into a contractile actomyosin network. We suggest that such networks are critical for connecting distant parts of the cell to maintain the mechanical coherence of the cytoplasm. PMID:24081490

  10. Applied Computational Fluid Dynamics at NASA Ames Research Center

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.; Kwak, Dochan (Technical Monitor)

    1994-01-01

    The field of Computational Fluid Dynamics (CFD) has advanced to the point where it can now be used for many applications in fluid mechanics research and aerospace vehicle design. A few applications being explored at NASA Ames Research Center will be presented and discussed. The examples presented will range in speed from hypersonic to low speed incompressible flow applications. Most of the results will be from numerical solutions of the Navier-Stokes or Euler equations in three space dimensions for general geometry applications. Computational results will be used to highlight the presentation as appropriate. Advances in computational facilities including those associated with NASA's CAS (Computational Aerosciences) Project of the Federal HPCC (High Performance Computing and Communications) Program will be discussed. Finally, opportunities for future research will be presented and discussed. All material will be taken from non-sensitive, previously-published and widely-disseminated work.

  11. High resolution simulations of energy absorption in dynamically loaded cellular structures

    NASA Astrophysics Data System (ADS)

    Winter, R. E.; Cotton, M.; Harris, E. J.; Eakins, D. E.; McShane, G.

    2016-04-01

    Cellular materials have potential application as absorbers of energy generated by high velocity impact. CTH, a Sandia National Laboratories Code which allows very severe strains to be simulated, has been used to perform very high resolution simulations showing the dynamic crushing of a series of two-dimensional, stainless steel metal structures with varying architectures. The structures are positioned to provide a cushion between a solid stainless steel flyer plate with velocities ranging from 300 to 900 m/s, and an initially stationary stainless steel target. Each of the alternative architectures under consideration was formed by an array of identical cells each of which had a constant volume and a constant density. The resolution of the simulations was maximised by choosing a configuration in which one-dimensional conditions persisted for the full period over which the specimen densified, a condition which is most readily met by impacting high density specimens at high velocity. It was found that the total plastic flow and, therefore, the irreversible energy dissipated in the fully densified energy absorbing cell, increase (a) as the structure becomes more rodlike and less platelike and (b) as the impact velocity increases. Sequential CTH images of the deformation processes show that the flow of the cell material may be broadly divided into macroscopic flow perpendicular to the compression direction and jetting-type processes (microkinetic flow) which tend to predominate in rod and rodlike configurations and also tend to play an increasing role at increased strain rates. A very simple analysis of a configuration in which a solid flyer impacts a solid target provides a baseline against which to compare and explain features seen in the simulations. The work provides a basis for the development of energy absorbing structures for application in the 200-1000 m/s impact regime.

  12. Current capabilities and future directions in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    1986-01-01

    A summary of significant findings is given, followed by specific recommendations for future directions of emphasis for computational fluid dynamics development. The discussion is organized into three application areas: external aerodynamics, hypersonics, and propulsion - and followed by a turbulence modeling synopsis.

  13. Computational fluid dynamics development and validation at Bell Helicopter

    NASA Astrophysics Data System (ADS)

    Narramore, J. C.

    1995-08-01

    An overview of the development of the Computational Fluid Dynamics (CFD) methodology at Bell Helicopter Textron is given. As new technologies have been developed their functionality has been assessed by their ability to reproduce wind tunnel measurements in a timely manner. Examples of some of these correlation study results are provided.

  14. Computational fluid dynamics applications to improve crop production systems

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Computational fluid dynamics (CFD), numerical analysis and simulation tools of fluid flow processes have emerged from the development stage and become nowadays a robust design tool. It is widely used to study various transport phenomena which involve fluid flow, heat and mass transfer, providing det...

  15. Visualizing Instructional Design: The Potential of Dynamic Computer Presentations.

    ERIC Educational Resources Information Center

    Knupfer, Nancy Nelson; And Others

    Graduate students often have difficulty understanding the concepts behind the various models of instructional design (ID). In order to help students in an introductory ID course come to a better understanding of the similarities and differences between various instructional models, the models were developed into dynamic computer graphics to use…

  16. Flap Dynamics in Aspartic Proteases: A Computational Perspective.

    PubMed

    Mahanti, Mukul; Bhakat, Soumendranath; Nilsson, Ulf J; Söderhjelm, Pär

    2016-08-01

    Recent advances in biochemistry and drug design have placed proteases as one of the critical target groups for developing novel small-molecule inhibitors. Among all proteases, aspartic proteases have gained significant attention due to their role in HIV/AIDS, malaria, Alzheimer's disease, etc. The binding cleft is covered by one or two β-hairpins (flaps) which need to be opened before a ligand can bind. After binding, the flaps close to retain the ligand in the active site. Development of computational tools has improved our understanding of flap dynamics and its role in ligand recognition. In the past decade, several computational approaches, for example molecular dynamics (MD) simulations, coarse-grained simulations, replica-exchange molecular dynamics (REMD) and metadynamics, have been used to understand flap dynamics and conformational motions associated with flap movements. This review is intended to summarize the computational progress towards understanding the flap dynamics of proteases and to be a reference for future studies in this field. PMID:26872937

  17. Computational Fluid Dynamics Demonstration of Rigid Bodies in Motion

    NASA Technical Reports Server (NTRS)

    Camarena, Ernesto; Vu, Bruce T.

    2011-01-01

    The Design Analysis Branch (NE-Ml) at the Kennedy Space Center has not had the ability to accurately couple Rigid Body Dynamics (RBD) and Computational Fluid Dynamics (CFD). OVERFLOW-D is a flow solver that has been developed by NASA to have the capability to analyze and simulate dynamic motions with up to six Degrees of Freedom (6-DOF). Two simulations were prepared over the course of the internship to demonstrate 6DOF motion of rigid bodies under aerodynamic loading. The geometries in the simulations were based on a conceptual Space Launch System (SLS). The first simulation that was prepared and computed was the motion of a Solid Rocket Booster (SRB) as it separates from its core stage. To reduce computational time during the development of the simulation, only half of the physical domain with respect to the symmetry plane was simulated. Then a full solution was prepared and computed. The second simulation was a model of the SLS as it departs from a launch pad under a 20 knot crosswind. This simulation was reduced to Two Dimensions (2D) to reduce both preparation and computation time. By allowing 2-DOF for translations and 1-DOF for rotation, the simulation predicted unrealistic rotation. The simulation was then constrained to only allow translations.

  18. Thermodynamic-based computational profiling of cellular regulatory control in hepatocyte metabolism.

    PubMed

    Beard, Daniel A; Qian, Hong

    2005-03-01

    Thermodynamic-based constraints on biochemical fluxes and concentrations are applied in concert with mass balance of fluxes in glycogenesis and glycogenolysis in a model of hepatic cell metabolism. Constraint-based modeling methods that facilitate predictions of reactant concentrations, reaction potentials, and enzyme activities are introduced to identify putative regulatory and control sites in biological networks by computing the minimal control scheme necessary to switch between metabolic modes. Computational predictions of control sites in glycogenic and glycogenolytic operational modes in the hepatocyte network compare favorably with known regulatory mechanisms. The developed hepatic metabolic model is used to computationally analyze the impairment of glucose production in von Gierke's and Hers' diseases, two metabolic diseases impacting glycogen metabolism. The computational methodology introduced here can be generalized to identify downstream targets of agonists, to systematically probe possible drug targets, and to predict the effects of specific inhibitors (or activators) on integrated network function. PMID:15507536

  19. Computational dynamics for robotics systems using a non-strict computational approach

    NASA Technical Reports Server (NTRS)

    Orin, David E.; Wong, Ho-Cheung; Sadayappan, P.

    1989-01-01

    A Non-Strict computational approach for real-time robotics control computations is proposed. In contrast to the traditional approach to scheduling such computations, based strictly on task dependence relations, the proposed approach relaxes precedence constraints and scheduling is guided instead by the relative sensitivity of the outputs with respect to the various paths in the task graph. An example of the computation of the Inverse Dynamics of a simple inverted pendulum is used to demonstrate the reduction in effective computational latency through use of the Non-Strict approach. A speedup of 5 has been obtained when the processes of the task graph are scheduled to reduce the latency along the crucial path of the computation. While error is introduced by the relaxation of precedence constraints, the Non-Strict approach has a smaller error than the conventional Strict approach for a wide range of input conditions.

  20. Cellular automata approach for the dynamics of HIV infection under antiretroviral therapies: The role of the virus diffusion

    NASA Astrophysics Data System (ADS)

    González, Ramón E. R.; de Figueirêdo, Pedro Hugo; Coutinho, Sérgio

    2013-10-01

    We study a cellular automata model to test the timing of antiretroviral therapy strategies for the dynamics of infection with human immunodeficiency virus (HIV). We focus on the role of virus diffusion when its population is included in previous cellular automata model that describes the dynamics of the lymphocytes cells population during infection. This inclusion allows us to consider the spread of infection by the virus-cell interaction, beyond that which occurs by cell-cell contagion. The results show an acceleration of the infectious process in the absence of treatment, but show better efficiency in reducing the risk of the onset of AIDS when combined antiretroviral therapies are used even with drugs of low effectiveness. Comparison of results with clinical data supports the conclusions of this study.

  1. Towards dynamic remote data auditing in computational clouds.

    PubMed

    Sookhak, Mehdi; Akhunzada, Adnan; Gani, Abdullah; Khurram Khan, Muhammad; Anuar, Nor Badrul

    2014-01-01

    Cloud computing is a significant shift of computational paradigm where computing as a utility and storing data remotely have a great potential. Enterprise and businesses are now more interested in outsourcing their data to the cloud to lessen the burden of local data storage and maintenance. However, the outsourced data and the computation outcomes are not continuously trustworthy due to the lack of control and physical possession of the data owners. To better streamline this issue, researchers have now focused on designing remote data auditing (RDA) techniques. The majority of these techniques, however, are only applicable for static archive data and are not subject to audit the dynamically updated outsourced data. We propose an effectual RDA technique based on algebraic signature properties for cloud storage system and also present a new data structure capable of efficiently supporting dynamic data operations like append, insert, modify, and delete. Moreover, this data structure empowers our method to be applicable for large-scale data with minimum computation cost. The comparative analysis with the state-of-the-art RDA schemes shows that the proposed scheme is secure and highly efficient in terms of the computation and communication overhead on the auditor and server. PMID:25121114

  2. Towards Dynamic Remote Data Auditing in Computational Clouds

    PubMed Central

    Khurram Khan, Muhammad; Anuar, Nor Badrul

    2014-01-01

    Cloud computing is a significant shift of computational paradigm where computing as a utility and storing data remotely have a great potential. Enterprise and businesses are now more interested in outsourcing their data to the cloud to lessen the burden of local data storage and maintenance. However, the outsourced data and the computation outcomes are not continuously trustworthy due to the lack of control and physical possession of the data owners. To better streamline this issue, researchers have now focused on designing remote data auditing (RDA) techniques. The majority of these techniques, however, are only applicable for static archive data and are not subject to audit the dynamically updated outsourced data. We propose an effectual RDA technique based on algebraic signature properties for cloud storage system and also present a new data structure capable of efficiently supporting dynamic data operations like append, insert, modify, and delete. Moreover, this data structure empowers our method to be applicable for large-scale data with minimum computation cost. The comparative analysis with the state-of-the-art RDA schemes shows that the proposed scheme is secure and highly efficient in terms of the computation and communication overhead on the auditor and server. PMID:25121114

  3. A computable cellular stress network model for non-diseased pulmonary and cardiovascular tissue

    PubMed Central

    2011-01-01

    Background Humans and other organisms are equipped with a set of responses that can prevent damage from exposure to a multitude of endogenous and environmental stressors. If these stress responses are overwhelmed, this can result in pathogenesis of diseases, which is reflected by an increased development of, e.g., pulmonary and cardiac diseases in humans exposed to chronic levels of environmental stress, including inhaled cigarette smoke (CS). Systems biology data sets (e.g., transcriptomics, phosphoproteomics, metabolomics) could enable comprehensive investigation of the biological impact of these stressors. However, detailed mechanistic networks are needed to determine which specific pathways are activated in response to different stressors and to drive the qualitative and eventually quantitative assessment of these data. A current limiting step in this process is the availability of detailed mechanistic networks that can be used as an analytical substrate. Results We have built a detailed network model that captures the biology underlying the physiological cellular response to endogenous and exogenous stressors in non-diseased mammalian pulmonary and cardiovascular cells. The contents of the network model reflect several diverse areas of signaling, including oxidative stress, hypoxia, shear stress, endoplasmic reticulum stress, and xenobiotic stress, that are elicited in response to common pulmonary and cardiovascular stressors. We then tested the ability of the network model to identify the mechanisms that are activated in response to CS, a broad inducer of cellular stress. Using transcriptomic data from the lungs of mice exposed to CS, the network model identified a robust increase in the oxidative stress response, largely mediated by the anti-oxidant NRF2 pathways, consistent with previous reports on the impact of CS exposure in the mammalian lung. Conclusions The results presented here describe the construction of a cellular stress network model and its

  4. Experimental and computational assessment of F-actin influence in regulating cellular stiffness and relaxation behaviour of fibroblasts.

    PubMed

    Fallqvist, Björn; Fielden, Matthew L; Pettersson, Torbjörn; Nordgren, Niklas; Kroon, Martin; Gad, Annica K B

    2016-06-01

    In biomechanics, a complete understanding of the structures and mechanisms that regulate cellular stiffness at a molecular level remain elusive. In this paper, we have elucidated the role of filamentous actin (F-actin) in regulating elastic and viscous properties of the cytoplasm and the nucleus. Specifically, we performed colloidal-probe atomic force microscopy (AFM) on BjhTERT fibroblast cells incubated with Latrunculin B (LatB), which results in depolymerisation of F-actin, or DMSO control. We found that the treatment with LatB not only reduced cellular stiffness, but also greatly increased the relaxation rate for the cytoplasm in the peripheral region and in the vicinity of the nucleus. We thus conclude that F-actin is a major determinant in not only providing elastic stiffness to the cell, but also in regulating its viscous behaviour. To further investigate the interdependence of different cytoskeletal networks and cell shape, we provided a computational model in a finite element framework. The computational model is based on a split strain energy function of separate cellular constituents, here assumed to be cytoskeletal components, for which a composite strain energy function was defined. We found a significant influence of cell geometry on the predicted mechanical response. Importantly, the relaxation behaviour of the cell can be characterised by a material model with two time constants that have previously been found to predict mechanical behaviour of actin and intermediate filament networks. By merely tuning two effective stiffness parameters, the model predicts experimental results in cells with a partly depolymerised actin cytoskeleton as well as in untreated control. This indicates that actin and intermediate filament networks are instrumental in providing elastic stiffness in response to applied forces, as well as governing the relaxation behaviour over shorter and longer time-scales, respectively. PMID:26766328

  5. Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

    NASA Technical Reports Server (NTRS)

    Thorp, Scott A.

    1992-01-01

    This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

  6. A Textbook for a First Course in Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Zingg, D. W.; Pulliam, T. H.; Nixon, David (Technical Monitor)

    1999-01-01

    This paper describes and discusses the textbook, Fundamentals of Computational Fluid Dynamics by Lomax, Pulliam, and Zingg, which is intended for a graduate level first course in computational fluid dynamics. This textbook emphasizes fundamental concepts in developing, analyzing, and understanding numerical methods for the partial differential equations governing the physics of fluid flow. Its underlying philosophy is that the theory of linear algebra and the attendant eigenanalysis of linear systems provides a mathematical framework to describe and unify most numerical methods in common use in the field of fluid dynamics. Two linear model equations, the linear convection and diffusion equations, are used to illustrate concepts throughout. Emphasis is on the semi-discrete approach, in which the governing partial differential equations (PDE's) are reduced to systems of ordinary differential equations (ODE's) through a discretization of the spatial derivatives. The ordinary differential equations are then reduced to ordinary difference equations (O(Delta)E's) using a time-marching method. This methodology, using the progression from PDE through ODE's to O(Delta)E's, together with the use of the eigensystems of tridiagonal matrices and the theory of O(Delta)E's, gives the book its distinctiveness and provides a sound basis for a deep understanding of fundamental concepts in computational fluid dynamics.

  7. Computational fluid dynamic analysis of hybrid rocket combustor flowfields

    NASA Technical Reports Server (NTRS)

    Venkateswaran, S.; Merkle, C. L.

    1995-01-01

    Computational fluid dynamic analyses of the Navier-Stokes equations coupled with solid-phase pyrolysis, gas-phase combustion, turbulence and radiation are performed to study hybrid rocket combustor flowfields. The computational study is closely co-ordinated with a companion experimental program using a planar slab burner configuration with HTPB as fuel and gaseous oxygen. Computational predictions agree reasonably well with measurement data of fuel regression rates and surface temperatures. Additionally, most of the parametric trends predicted by the model are in general agreement with experimental trends. The computational model is applied to extend the results from the lab-scale to a full-scale axisymmetric configuration. The numerical predictions indicate that the full-scale configuration burns at a slower rate than the lab-scale combustor under identical specific flow rate conditions. The results demonstrate that detailed CFD analyses can play a useful role in the design of hybrid combustors.

  8. Parallel Computational Fluid Dynamics: Current Status and Future Requirements

    NASA Technical Reports Server (NTRS)

    Simon, Horst D.; VanDalsem, William R.; Dagum, Leonardo; Kutler, Paul (Technical Monitor)

    1994-01-01

    One or the key objectives of the Applied Research Branch in the Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Allies Research Center is the accelerated introduction of highly parallel machines into a full operational environment. In this report we discuss the performance results obtained from the implementation of some computational fluid dynamics (CFD) applications on the Connection Machine CM-2 and the Intel iPSC/860. We summarize some of the experiences made so far with the parallel testbed machines at the NAS Applied Research Branch. Then we discuss the long term computational requirements for accomplishing some of the grand challenge problems in computational aerosciences. We argue that only massively parallel machines will be able to meet these grand challenge requirements, and we outline the computer science and algorithm research challenges ahead.

  9. Transcriptome and Proteome Dynamics of the Cellular Response of Shewanella oneidensis to Chromium Stress

    SciTech Connect

    Thompson, D.K.

    2005-04-18

    The overall goal of this DOE NABIR project is to characterize the molecular basis and regulation of hexavalent chromium [Cr(VI)] stress response and reduction by Shewanella oneidensis strain MR-1. Temporal genomic profiling and mass spectrometry-based proteomic analysis were employed to characterize the dynamic molecular response of S. oneidensis MR-1 to both acute and chronic Cr(VI) exposure. The acute stress response of aerobic, mid-exponential phase cells shocked to a final concentration of 1 mM potassium chromate (K2CrO4) was examined at post-exposure time intervals of 5, 30, 60, and 90 min relative to untreated cells. The transcriptome of mid-exponential cultures was also analyzed 30 min after shock doses of 0.3, 0.5, or 1 mM K{sub 2}CrO{sub 4}. The tonB1-exbB1-exbD1 genes comprising the TonB1 iron transport system were some of the most highly induced coding sequences (CDSs) after 90 min (up to {approx}240 fold), followed by other genes involved in heme transport, sulfate transport, and sulfur assimilation pathways. In addition, transcript levels for CDSs with annotated functions in DNA repair (dinP, recX, recA, recN) and detoxification processes (so3585, so3586) were substantially increased in Cr(VI)-exposed cells compared to untreated cells. By contrast, genes predicted to encode hydrogenases (HydA, HydB), oxidoreductases (SO0902-03-04, SO1911), iron-sulfur cluster binding proteins (SO4404), decaheme cytochrome c proteins (MtrA, OmcA, OmcB), and a number of LysR or TetR family transcriptional regulators were some of the most highly repressed CDSs following the 90-min shock period. Transcriptome profiles generated from MR-1 cells adapted to 0.3 mM Cr(VI) differed significantly from those characterizing cells exposed to acute Cr(VI) stress without adaptation. Parallel proteomic characterization of soluble protein and membrane protein fractions extracted from Cr(VI)-shocked and Cr(VI)-adapted MR-1 cells was performed using multidimensional HPLC-ESI-MS/MS (both

  10. Multi-color fluorescence imaging of sub-cellular dynamics of cancer cells in live mice

    NASA Astrophysics Data System (ADS)

    Hoffman, Robert M.

    2006-02-01

    We have genetically engineered dual-color fluorescent cells with one color in the nucleus and the other in the cytoplasm that enables real-time nuclear-cytoplasmic dynamics to be visualized in living cells in the cytoplasm in vivo as well as in vitro. To obtain the dual-color cells, red fluorescent protein (RFP) was expressed of the cancer cells, and green fluorescent protein (GFP) linked to histone H2B was expressed in the nucleus. Mitotic cells were visualized by whole-body imaging after injection in the mouse ear. Common carotid artery or heart injection of dual-color cells and a reversible skin flap enabled the external visualization of the dual-color cells in microvessels in the mouse where extreme elongation of the cell body as well as the nucleus occurred. The migration velocities of the dual-color cancer cells in the capillaries were measured by capturing individual images of the dual-color fluorescent cells over time. Human HCT-116-GFP-RFP colon cancer and mouse mammary tumor (MMT)-GFP-RFP cells were injected in the portal vein of nude mice. Extensive clasmocytosis (destruction of the cytoplasm) of the HCT-116-GFP-RFP cells occurred within 6 hours. The data suggest rapid death of HCT-116-GFP-RFP cells in the portal vein. In contrast, MMT-GFP-RFP cells injected into the portal vein mostly survived and formed colonies in the liver. However, when the host mice were pretreated with cyclophosphamide, the HCT-116-GFP-RFP cells also survived and formed colonies in the liver after portal vein injection. These results suggest that a cyclophosphamide-sensitive host cellular system attacked the HCT-116-GFP-RFP cells but could not effectively kill the MMT-GFP-RFP cells. With the ability to continuously image cancer cells at the subcellular level in the live animal, our understanding of the complex steps of metastasis will significantly increase. In addition, new drugs can be developed to target these newly visible steps of metastasis.

  11. Parallel algorithms and architecture for computation of manipulator forward dynamics

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1989-01-01

    Parallel computation of manipulator forward dynamics is investigated. Considering three classes of algorithms for the solution of the problem, that is, the O(n), the O(n exp 2), and the O(n exp 3) algorithms, parallelism in the problem is analyzed. It is shown that the problem belongs to the class of NC and that the time and processors bounds are of O(log2/2n) and O(n exp 4), respectively. However, the fastest stable parallel algorithms achieve the computation time of O(n) and can be derived by parallelization of the O(n exp 3) serial algorithms. Parallel computation of the O(n exp 3) algorithms requires the development of parallel algorithms for a set of fundamentally different problems, that is, the Newton-Euler formulation, the computation of the inertia matrix, decomposition of the symmetric, positive definite matrix, and the solution of triangular systems. Parallel algorithms for this set of problems are developed which can be efficiently implemented on a unique architecture, a triangular array of n(n+2)/2 processors with a simple nearest-neighbor interconnection. This architecture is particularly suitable for VLSI and WSI implementations. The developed parallel algorithm, compared to the best serial O(n) algorithm, achieves an asymptotic speedup of more than two orders-of-magnitude in the computation the forward dynamics.

  12. Static and dynamic assessment of myocardial perfusion by computed tomography.

    PubMed

    Danad, Ibrahim; Szymonifka, Jackie; Schulman-Marcus, Joshua; Min, James K

    2016-08-01

    Recent developments in computed tomography (CT) technology have fulfilled the prerequisites for the clinical application of myocardial CT perfusion (CTP) imaging. The evaluation of myocardial perfusion by CT can be achieved by static or dynamic scan acquisitions. Although both approaches have proved clinically feasible, substantial barriers need to be overcome before its routine clinical application. The current review provides an outline of the current status of CTP imaging and also focuses on disparities between static and dynamic CTPs for the evaluation of myocardial blood flow. PMID:27013250

  13. Computer simulation of multigrid body dynamics and control

    NASA Technical Reports Server (NTRS)

    Swaminadham, M.; Moon, Young I.; Venkayya, V. B.

    1990-01-01

    The objective is to set up and analyze benchmark problems on multibody dynamics and to verify the predictions of two multibody computer simulation codes. TREETOPS and DISCOS have been used to run three example problems - one degree-of-freedom spring mass dashpot system, an inverted pendulum system, and a triple pendulum. To study the dynamics and control interaction, an inverted planar pendulum with an external body force and a torsional control spring was modeled as a hinge connected two-rigid body system. TREETOPS and DISCOS affected the time history simulation of this problem. System state space variables and their time derivatives from two simulation codes were compared.

  14. Measurement and Information Extraction in Complex Dynamics Quantum Computation

    NASA Astrophysics Data System (ADS)

    Casati, Giulio; Montangero, Simone

    Quantum Information processing has several di.erent applications: some of them can be performed controlling only few qubits simultaneously (e.g. quantum teleportation or quantum cryptography) [1]. Usually, the transmission of large amount of information is performed repeating several times the scheme implemented for few qubits. However, to exploit the advantages of quantum computation, the simultaneous control of many qubits is unavoidable [2]. This situation increases the experimental di.culties of quantum computing: maintaining quantum coherence in a large quantum system is a di.cult task. Indeed a quantum computer is a many-body complex system and decoherence, due to the interaction with the external world, will eventually corrupt any quantum computation. Moreover, internal static imperfections can lead to quantum chaos in the quantum register thus destroying computer operability [3]. Indeed, as it has been shown in [4], a critical imperfection strength exists above which the quantum register thermalizes and quantum computation becomes impossible. We showed such e.ects on a quantum computer performing an e.cient algorithm to simulate complex quantum dynamics [5,6].

  15. Computational fluid dynamics applications at McDonnel Douglas

    NASA Technical Reports Server (NTRS)

    Hakkinen, R. J.

    1987-01-01

    Representative examples are presented of applications and development of advanced Computational Fluid Dynamics (CFD) codes for aerodynamic design at the McDonnell Douglas Corporation (MDC). Transonic potential and Euler codes, interactively coupled with boundary layer computation, and solutions of slender-layer Navier-Stokes approximation are applied to aircraft wing/body calculations. An optimization procedure using evolution theory is described in the context of transonic wing design. Euler methods are presented for analysis of hypersonic configurations, and helicopter rotors in hover and forward flight. Several of these projects were accepted for access to the Numerical Aerodynamic Simulation (NAS) facility at the NASA-Ames Research Center.

  16. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Kim, Suk C.; Benson, Thomas J.

    1994-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail, including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  17. Operational computer graphics in the flight dynamics environment

    NASA Technical Reports Server (NTRS)

    Jeletic, James F.

    1989-01-01

    Over the past five years, the Flight Dynamics Division of the National Aeronautics and Space Administration's (NASA's) Goddard Space Flight Center has incorporated computer graphics technology into its operational environment. In an attempt to increase the effectiveness and productivity of the Division, computer graphics software systems have been developed that display spacecraft tracking and telemetry data in 2-d and 3-d graphic formats that are more comprehensible than the alphanumeric tables of the past. These systems vary in functionality from real-time mission monitoring system, to mission planning utilities, to system development tools. Here, the capabilities and architecture of these systems are discussed.

  18. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Benson, Thomas J.; Kim, Suk C.

    1991-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail,including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  19. Computational fluid dynamics applications at McDonnel Douglas

    NASA Astrophysics Data System (ADS)

    Hakkinen, R. J.

    1987-03-01

    Representative examples are presented of applications and development of advanced Computational Fluid Dynamics (CFD) codes for aerodynamic design at the McDonnell Douglas Corporation (MDC). Transonic potential and Euler codes, interactively coupled with boundary layer computation, and solutions of slender-layer Navier-Stokes approximation are applied to aircraft wing/body calculations. An optimization procedure using evolution theory is described in the context of transonic wing design. Euler methods are presented for analysis of hypersonic configurations, and helicopter rotors in hover and forward flight. Several of these projects were accepted for access to the Numerical Aerodynamic Simulation (NAS) facility at the NASA-Ames Research Center.

  20. Computational Fluid Dynamics Analysis of Thoracic Aortic Dissection

    NASA Astrophysics Data System (ADS)

    Tang, Yik; Fan, Yi; Cheng, Stephen; Chow, Kwok

    2011-11-01

    Thoracic Aortic Dissection (TAD) is a cardiovascular disease with high mortality. An aortic dissection is formed when blood infiltrates the layers of the vascular wall, and a new artificial channel, the false lumen, is created. The expansion of the blood vessel due to the weakened wall enhances the risk of rupture. Computational fluid dynamics analysis is performed to study the hemodynamics of this pathological condition. Both idealized geometry and realistic patient configurations from computed tomography (CT) images are investigated. Physiological boundary conditions from in vivo measurements are employed. Flow configuration and biomechanical forces are studied. Quantitative analysis allows clinicians to assess the risk of rupture in making decision regarding surgical intervention.

  1. Simultaneous model discrimination and parameter estimation in dynamic models of cellular systems

    PubMed Central

    2013-01-01

    Background Model development is a key task in systems biology, which typically starts from an initial model candidate and, involving an iterative cycle of hypotheses-driven model modifications, leads to new experimentation and subsequent model identification steps. The final product of this cycle is a satisfactory refined model of the biological phenomena under study. During such iterative model development, researchers frequently propose a set of model candidates from which the best alternative must be selected. Here we consider this problem of model selection and formulate it as a simultaneous model selection and parameter identification problem. More precisely, we consider a general mixed-integer nonlinear programming (MINLP) formulation for model selection and identification, with emphasis on dynamic models consisting of sets of either ODEs (ordinary differential equations) or DAEs (differential algebraic equations). Results We solved the MINLP formulation for model selection and identification using an algorithm based on Scatter Search (SS). We illustrate the capabilities and efficiency of the proposed strategy with a case study considering the KdpD/KdpE system regulating potassium homeostasis in Escherichia coli. The proposed approach resulted in a final model that presents a better fit to the in silico generated experimental data. Conclusions The presented MINLP-based optimization approach for nested-model selection and identification is a powerful methodology for model development in systems biology. This strategy can be used to perform model selection and parameter estimation in one single step, thus greatly reducing the number of experiments and computations of traditional modeling approaches. PMID:23938131

  2. Symbolic dynamics and computation in model gene networks.

    PubMed

    Edwards, R.; Siegelmann, H. T.; Aziza, K.; Glass, L.

    2001-03-01

    We analyze a class of ordinary differential equations representing a simplified model of a genetic network. In this network, the model genes control the production rates of other genes by a logical function. The dynamics in these equations are represented by a directed graph on an n-dimensional hypercube (n-cube) in which each edge is directed in a unique orientation. The vertices of the n-cube correspond to orthants of state space, and the edges correspond to boundaries between adjacent orthants. The dynamics in these equations can be represented symbolically. Starting from a point on the boundary between neighboring orthants, the equation is integrated until the boundary is crossed for a second time. Each different cycle, corresponding to a different sequence of orthants that are traversed during the integration of the equation always starting on a boundary and ending the first time that same boundary is reached, generates a different letter of the alphabet. A word consists of a sequence of letters corresponding to a possible sequence of orthants that arise from integration of the equation starting and ending on the same boundary. The union of the words defines the language. Letters and words correspond to analytically computable Poincare maps of the equation. This formalism allows us to define bifurcations of chaotic dynamics of the differential equation that correspond to changes in the associated language. Qualitative knowledge about the dynamics found by integrating the equation can be used to help solve the inverse problem of determining the underlying network generating the dynamics. This work places the study of dynamics in genetic networks in a context comprising both nonlinear dynamics and the theory of computation. (c) 2001 American Institute of Physics. PMID:12779450

  3. Reservoir Computing Properties of Neural Dynamics in Prefrontal Cortex

    PubMed Central

    Procyk, Emmanuel; Dominey, Peter Ford

    2016-01-01

    Primates display a remarkable ability to adapt to novel situations. Determining what is most pertinent in these situations is not always possible based only on the current sensory inputs, and often also depends on recent inputs and behavioral outputs that contribute to internal states. Thus, one can ask how cortical dynamics generate representations of these complex situations. It has been observed that mixed selectivity in cortical neurons contributes to represent diverse situations defined by a combination of the current stimuli, and that mixed selectivity is readily obtained in randomly connected recurrent networks. In this context, these reservoir networks reproduce the highly recurrent nature of local cortical connectivity. Recombining present and past inputs, random recurrent networks from the reservoir computing framework generate mixed selectivity which provides pre-coded representations of an essentially universal set of contexts. These representations can then be selectively amplified through learning to solve the task at hand. We thus explored their representational power and dynamical properties after training a reservoir to perform a complex cognitive task initially developed for monkeys. The reservoir model inherently displayed a dynamic form of mixed selectivity, key to the representation of the behavioral context over time. The pre-coded representation of context was amplified by training a feedback neuron to explicitly represent this context, thereby reproducing the effect of learning and allowing the model to perform more robustly. This second version of the model demonstrates how a hybrid dynamical regime combining spatio-temporal processing of reservoirs, and input driven attracting dynamics generated by the feedback neuron, can be used to solve a complex cognitive task. We compared reservoir activity to neural activity of dorsal anterior cingulate cortex of monkeys which revealed similar network dynamics. We argue that reservoir computing is a

  4. Determination of eigenvalues of dynamical systems by symbolic computation

    NASA Technical Reports Server (NTRS)

    Howard, J. C.

    1982-01-01

    A symbolic computation technique for determining the eigenvalues of dynamical systems is described wherein algebraic operations, symbolic differentiation, matrix formulation and inversion, etc., can be performed on a digital computer equipped with a formula-manipulation compiler. An example is included that demonstrates the facility with which the system dynamics matrix and the control distribution matrix from the state space formulation of the equations of motion can be processed to obtain eigenvalue loci as a function of a system parameter. The example chosen to demonstrate the technique is a fourth-order system representing the longitudinal response of a DC 8 aircraft to elevator inputs. This simplified system has two dominant modes, one of which is lightly damped and the other well damped. The loci may be used to determine the value of the controlling parameter that satisfied design requirements. The results were obtained using the MACSYMA symbolic manipulation system.

  5. Combining dynamical decoupling with fault-tolerant quantum computation

    SciTech Connect

    Ng, Hui Khoon; Preskill, John; Lidar, Daniel A.

    2011-07-15

    We study how dynamical decoupling (DD) pulse sequences can improve the reliability of quantum computers. We prove upper bounds on the accuracy of DD-protected quantum gates and derive sufficient conditions for DD-protected gates to outperform unprotected gates. Under suitable conditions, fault-tolerant quantum circuits constructed from DD-protected gates can tolerate stronger noise and have a lower overhead cost than fault-tolerant circuits constructed from unprotected gates. Our accuracy estimates depend on the dynamics of the bath that couples to the quantum computer and can be expressed either in terms of the operator norm of the bath's Hamiltonian or in terms of the power spectrum of bath correlations; we explain in particular how the performance of recursively generated concatenated pulse sequences can be analyzed from either viewpoint. Our results apply to Hamiltonian noise models with limited spatial correlations.

  6. Dynamic computed tomographic scans in experimental brain abscess.

    PubMed

    Enzmann, D R; Placone, R C; Britt, R H

    1984-01-01

    Dynamic computed tomographic scans were performed in an experimental brain abscess model to establish criteria that could be utilized in abscess staging. The vascular phase of the time-density curves did not differentiate cerebritis and capsule stages. The amount of residual enhancement after the first pass of an intra-arterial contrast bolus differed between major abscess stages, the greater residual enhancement being noted in the capsule stage. PMID:6462439

  7. A computational model of skeletal muscle metabolism linking cellular adaptations induced by altered loading states to metabolic responses during exercise

    PubMed Central

    Dash, Ranjan K; DiBella, John A; Cabrera, Marco E

    2007-01-01

    Background The alterations in skeletal muscle structure and function after prolonged periods of unloading are initiated by the chronic lack of mechanical stimulus of sufficient intensity, which is the result of a series of biochemical and metabolic interactions spanning from cellular to tissue/organ level. Reduced activation of skeletal muscle alters the gene expression of myosin heavy chain isoforms to meet the functional demands of reduced mechanical load, which results in muscle atrophy and reduced capacity to process fatty acids. In contrast, chronic loading results in the opposite pattern of adaptations. Methods To quantify interactions among cellular and skeletal muscle metabolic adaptations, and to predict metabolic responses to exercise after periods of altered loading states, we develop a computational model of skeletal muscle metabolism. The governing model equations – with parameters characterizing chronic loading/unloading states- were solved numerically to simulate metabolic responses to moderate intensity exercise (WR ≤ 40% VO2 max). Results Model simulations showed that carbohydrate oxidation was 8.5% greater in chronically unloaded muscle compared with the loaded muscle (0.69 vs. 0.63 mmol/min), while fat oxidation was 7% higher in chronically loaded muscle (0.14 vs. 0.13 mmol/min), during exercise. Muscle oxygen uptake (VO2) and blood flow (Q) response times were 29% and 44% shorter in chronically loaded muscle (0.4 vs. 0.56 min for VO2 and 0.25 vs. 0.45 min for Q). Conclusion The present model can be applied to test complex hypotheses during exercise involving the integration and control of metabolic processes at various organizational levels (cellular to tissue) in individuals who have undergone periods of chronic loading or unloading. PMID:17448235

  8. Dynamic analysis of spur gears using computer program DANST

    NASA Technical Reports Server (NTRS)

    Oswald, Fred B.; Lin, Hsiang Hsi; Liou, Chuen-Huei; Valco, Mark J.

    1993-01-01

    DANST is a computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the effect on dynamic load and tooth bending stress of spur gears due to operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratio ranging from one to three. It was designed to be easy to use, and it is extensively documented by comments in the source code. This report describes the installation and use of DANST. It covers input data requirements and presents examples. The report also compares DANST predictions for gear tooth loads and bending stress to experimental and finite element results.

  9. Computational deconvolution of gene expression by individual host cellular subsets from microarray analyses of complex, parasite-infected whole tissues.

    PubMed

    Banskota, Nirad; Odegaard, Justin I; Rinaldi, Gabriel; Hsieh, Michael H

    2016-06-01

    Analyses of whole organs from parasite-infected animals can reveal the entirety of the host tissue transcriptome, but conventional approaches make it difficult to dissect out the contributions of individual cellular subsets to observed gene expression. Computational deconvolution of gene expression data may be one solution to this problem. We tested this potential solution by deconvoluting whole bladder gene expression microarray data derived from a model of experimental urogenital schistosomiasis. A supervised technique was used to group B-cell and T-cell related genes based on their cell types, with a semi-supervised technique to calculate the proportions of urothelial cells. We demonstrate that the deconvolution technique was able to group genes into their correct cell types with good accuracy. A clustering-based methodology was also used to improve prediction. However, incorrectly predicted genes could not be discriminated using this methodology. The incorrect predictions were primarily IgH- and IgK-related genes. To our knowledge, this is the first application of computational deconvolution to complex, parasite-infected whole tissues. Other computational techniques such as neural networks may need to be used to improve prediction. PMID:27025770

  10. Applying uncertainty quantification to multiphase flow computational fluid dynamics

    SciTech Connect

    Gel, A; Garg, R; Tong, C; Shahnam, M; Guenther, C

    2013-07-01

    Multiphase computational fluid dynamics plays a major role in design and optimization of fossil fuel based reactors. There is a growing interest in accounting for the influence of uncertainties associated with physical systems to increase the reliability of computational simulation based engineering analysis. The U.S. Department of Energy's National Energy Technology Laboratory (NETL) has recently undertaken an initiative to characterize uncertainties associated with computer simulation of reacting multiphase flows encountered in energy producing systems such as a coal gasifier. The current work presents the preliminary results in applying non-intrusive parametric uncertainty quantification and propagation techniques with NETL's open-source multiphase computational fluid dynamics software MFIX. For this purpose an open-source uncertainty quantification toolkit, PSUADE developed at the Lawrence Livermore National Laboratory (LLNL) has been interfaced with MFIX software. In this study, the sources of uncertainty associated with numerical approximation and model form have been neglected, and only the model input parametric uncertainty with forward propagation has been investigated by constructing a surrogate model based on data-fitted response surface for a multiphase flow demonstration problem. Monte Carlo simulation was employed for forward propagation of the aleatory type input uncertainties. Several insights gained based on the outcome of these simulations are presented such as how inadequate characterization of uncertainties can affect the reliability of the prediction results. Also a global sensitivity study using Sobol' indices was performed to better understand the contribution of input parameters to the variability observed in response variable.

  11. Computational evaluation of cellular metabolic costs successfully predicts genes whose expression is deleterious

    PubMed Central

    Wagner, Allon; Zarecki, Raphy; Reshef, Leah; Gochev, Camelia; Sorek, Rotem; Gophna, Uri; Ruppin, Eytan

    2013-01-01

    Gene suppression and overexpression are both fundamental tools in linking genotype to phenotype in model organisms. Computational methods have proven invaluable in studying and predicting the deleterious effects of gene deletions, and yet parallel computational methods for overexpression are still lacking. Here, we present Expression-Dependent Gene Effects (EDGE), an in silico method that can predict the deleterious effects resulting from overexpression of either native or foreign metabolic genes. We first test and validate EDGE’s predictive power in bacteria through a combination of small-scale growth experiments that we performed and analysis of extant large-scale datasets. Second, a broad cross-species analysis, ranging from microorganisms to multiple plant and human tissues, shows that genes that EDGE predicts to be deleterious when overexpressed are indeed typically down-regulated. This reflects a universal selection force keeping the expression of potentially deleterious genes in check. Third, EDGE-based analysis shows that cancer genetic reprogramming specifically suppresses genes whose overexpression impedes proliferation. The magnitude of this suppression is large enough to enable an almost perfect distinction between normal and cancerous tissues based solely on EDGE results. We expect EDGE to advance our understanding of human pathologies associated with up-regulation of particular transcripts and to facilitate the utilization of gene overexpression in metabolic engineering. PMID:24198337

  12. Finite element dynamic analysis on CDC STAR-100 computer

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Lambiotte, J. J., Jr.

    1978-01-01

    Computational algorithms are presented for the finite element dynamic analysis of structures on the CDC STAR-100 computer. The spatial behavior is described using higher-order finite elements. The temporal behavior is approximated by using either the central difference explicit scheme or Newmark's implicit scheme. In each case the analysis is broken up into a number of basic macro-operations. Discussion is focused on the organization of the computation and the mode of storage of different arrays to take advantage of the STAR pipeline capability. The potential of the proposed algorithms is discussed and CPU times are given for performing the different macro-operations for a shell modeled by higher order composite shallow shell elements having 80 degrees of freedom.

  13. Highly Parallel Computing Architectures by using Arrays of Quantum-dot Cellular Automata (QCA): Opportunities, Challenges, and Recent Results

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Toomarian, Benny N.

    2000-01-01

    There has been significant improvement in the performance of VLSI devices, in terms of size, power consumption, and speed, in recent years and this trend may also continue for some near future. However, it is a well known fact that there are major obstacles, i.e., physical limitation of feature size reduction and ever increasing cost of foundry, that would prevent the long term continuation of this trend. This has motivated the exploration of some fundamentally new technologies that are not dependent on the conventional feature size approach. Such technologies are expected to enable scaling to continue to the ultimate level, i.e., molecular and atomistic size. Quantum computing, quantum dot-based computing, DNA based computing, biologically inspired computing, etc., are examples of such new technologies. In particular, quantum-dots based computing by using Quantum-dot Cellular Automata (QCA) has recently been intensely investigated as a promising new technology capable of offering significant improvement over conventional VLSI in terms of reduction of feature size (and hence increase in integration level), reduction of power consumption, and increase of switching speed. Quantum dot-based computing and memory in general and QCA specifically, are intriguing to NASA due to their high packing density (10(exp 11) - 10(exp 12) per square cm ) and low power consumption (no transfer of current) and potentially higher radiation tolerant. Under Revolutionary Computing Technology (RTC) Program at the NASA/JPL Center for Integrated Space Microelectronics (CISM), we have been investigating the potential applications of QCA for the space program. To this end, exploiting the intrinsic features of QCA, we have designed novel QCA-based circuits for co-planner (i.e., single layer) and compact implementation of a class of data permutation matrices, a class of interconnection networks, and a bit-serial processor. Building upon these circuits, we have developed novel algorithms and QCA

  14. Dual-modality, fluorescent, PLGA encapsulated bismuth nanoparticles for molecular and cellular fluorescence imaging and computed tomography

    NASA Astrophysics Data System (ADS)

    Swy, Eric R.; Schwartz-Duval, Aaron S.; Shuboni, Dorela D.; Latourette, Matthew T.; Mallet, Christiane L.; Parys, Maciej; Cormode, David P.; Shapiro, Erik M.

    2014-10-01

    Reports of molecular and cellular imaging using computed tomography (CT) are rapidly increasing. Many of these reports use gold nanoparticles. Bismuth has similar CT contrast properties to gold while being approximately 1000-fold less expensive. Herein we report the design, fabrication, characterization, and CT and fluorescence imaging properties of a novel, dual modality, fluorescent, polymer encapsulated bismuth nanoparticle construct for computed tomography and fluorescence imaging. We also report on cellular internalization and preliminary in vitro and in vivo toxicity effects of these constructs. 40 nm bismuth(0) nanocrystals were synthesized and encapsulated within 120 nm Poly(dl-lactic-co-glycolic acid) (PLGA) nanoparticles by oil-in-water emulsion methodologies. Coumarin-6 was co-encapsulated to impart fluorescence. High encapsulation efficiency was achieved ~70% bismuth w/w. Particles were shown to internalize within cells following incubation in culture. Bismuth nanocrystals and PLGA encapsulated bismuth nanoparticles exhibited >90% and >70% degradation, respectively, within 24 hours in acidic, lysosomal environment mimicking media and both remained nearly 100% stable in cytosolic/extracellular fluid mimicking media. μCT and clinical CT imaging was performed at multiple X-ray tube voltages to measure concentration dependent attenuation rates as well as to establish the ability to detect the nanoparticles in an ex vivo biological sample. Dual fluorescence and CT imaging is demonstrated as well. In vivo toxicity studies in rats revealed neither clinically apparent side effects nor major alterations in serum chemistry and hematology parameters. Calculations on minimal detection requirements for in vivo targeted imaging using these nanoparticles are presented. Indeed, our results indicate that these nanoparticles may serve as a platform for sensitive and specific targeted molecular CT and fluorescence imaging.Reports of molecular and cellular imaging using

  15. Tree-grass competition in space and time: Insights from a simple cellular automata model based on ecohydrological dynamics

    NASA Astrophysics Data System (ADS)

    van Wijk, Mark T.; Rodriguez-Iturbe, Ignacio

    2002-09-01

    Water is a key resource in determining the composition and structure of savanna ecosystems. In this study we present a simple cellular automata model in which death and reproduction chances of trees and grasses are based on the dynamical description of plant water stress by a probabilistic ecohydrological point model, using the parameterization for a Texas savanna. The results show that the model behavior, despite its simplicity, can be linked to ecological reality: the model yields a dynamic tree-grass coexistence driven by the annual rainfall, and the space-time behavior shows that both random and clustered tree distributions for periods up to 100 years can be observed. Both temporal and spatial model output display fractal characteristics suggesting the possibility of a self-organized critical dynamics. Thus power law behavior is observed in both the spectral density function and the cluster size distribution. The presence of spatial fractal characteristic opens avenues for more thorough model testing.

  16. Computational Fluid Dynamics Program at NASA Ames Research Center

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.

    1989-01-01

    The Computational Fluid Dynamics (CFD) Program at NASA Ames Research Center is reviewed and discussed. The technical elements of the CFD Program are listed and briefly discussed. These elements include algorithm research, research and pilot code development, scientific visualization, advanced surface representation, volume grid generation, and numerical optimization. Next, the discipline of CFD is briefly discussed and related to other areas of research at NASA Ames including experimental fluid dynamics, computer science research, computational chemistry, and numerical aerodynamic simulation. These areas combine with CFD to form a larger area of research, which might collectively be called computational technology. The ultimate goal of computational technology research at NASA Ames is to increase the physical understanding of the world in which we live, solve problems of national importance, and increase the technical capabilities of the aerospace community. Next, the major programs at NASA Ames that either use CFD technology or perform research in CFD are listed and discussed. Briefly, this list includes turbulent/transition physics and modeling, high-speed real gas flows, interdisciplinary research, turbomachinery demonstration computations, complete aircraft aerodynamics, rotorcraft applications, powered lift flows, high alpha flows, multiple body aerodynamics, and incompressible flow applications. Some of the individual problems actively being worked in each of these areas is listed to help define the breadth or extent of CFD involvement in each of these major programs. State-of-the-art examples of various CFD applications are presented to highlight most of these areas. The main emphasis of this portion of the presentation is on examples which will not otherwise be treated at this conference by the individual presentations. Finally, a list of principal current limitations and expected future directions is given.

  17. Novel optical-based methods and analyses for elucidating cellular mechanics and dynamics

    NASA Astrophysics Data System (ADS)

    Koo, Peter K.

    Resolving distinct biochemical interaction states by analyzing the diffusive behaviors of individual protein trajectories is challenging due to the limited statistics provided by short trajectories and experimental noise sources, which are intimately coupled into each proteins localization. In the first part of this thesis, we introduce a novel, a machine-learning based classification methodology, called perturbation expectation-maximization (pEM), which simultaneously analyzes a population of protein trajectories to uncover the system of short-time diffusive behaviors which collectively result from distinct biochemical interactions. We then discuss an experimental application of pEM to Rho GTPase, an integral regulator of cytoskeletal dynamics and cellular homeostasis, inside live cells. We also derive the maximum likelihood estimator (MLE) for driven diffusion, confined diffusion, and fractional Brownian motion. We demonstrate that MLE yields improved estimates in comparison with traditional diffusion analysis, namely mean squared displacement analysis. In addition, we also introduce mleBayes, which is an empirical Bayesian model selection scheme to classify an individual protein trajectory to a given diffusion mode. By employing mleBayes on simulated data, we demonstrate that accurate determination of the underlying diffusive properties, beyond normal diffusion, remains challenging when analyzing particle trajectories on an individual basis. To improve upon the statistical limitations of classification from analyzing trajectories on an individual basis, we extend pEM with a new version (pEMv2) to simultaneously analyzing a collection of particle trajectories to uncover the system of interactions which give rise to unique normal or non-normal diffusive states. We test the performance of pEMv2 on various sets of simulated particle trajectories which transition between various modes of normal and non-normal diffusive states to highlight considerations when

  18. Computational modeling of dynamic behaviors of human teeth.

    PubMed

    Liao, Zhipeng; Chen, Junning; Zhang, Zhongpu; Li, Wei; Swain, Michael; Li, Qing

    2015-12-16

    Despite the importance of dynamic behaviors of dental and periodontal structures to clinics, the biomechanical roles of anatomic sophistication and material properties in quantification of vibratory characteristics remain under-studied. This paper aimed to generate an anatomically accurate and structurally detailed 3D finite element (FE) maxilla model and explore the dynamic behaviors of human teeth through characterizing the natural frequencies (NFs) and mode shapes. The FE models with different levels of structural integrities and material properties were established to quantify the effects of modeling techniques on the computation of vibratory characteristics. The results showed that the integrity of computational model considerably influences the characterization of vibratory behaviors, as evidenced by declined NFs and perceptibly altered mode shapes resulting from the models with higher degrees of completeness and accuracy. A primary NF of 889Hz and the corresponding mode shape featuring linguo-buccal vibration of maxillary right 2nd molar were obtained based on the complete maxilla model. It was found that the periodontal ligament (PDL), a connective soft tissue, plays an important role in quantifying NFs. It was also revealed that damping and heterogeneity of materials contribute to the quantification of vibratory characteristics. The study provided important biomechanical insights and clinical references for future studies on dynamic behaviors of dental and periodontal structures. PMID:26584964

  19. Digital computer program for generating dynamic turbofan engine models (DIGTEM)

    NASA Technical Reports Server (NTRS)

    Daniele, C. J.; Krosel, S. M.; Szuch, J. R.; Westerkamp, E. J.

    1983-01-01

    This report describes DIGTEM, a digital computer program that simulates two spool, two-stream turbofan engines. The turbofan engine model in DIGTEM contains steady-state performance maps for all of the components and has control volumes where continuity and energy balances are maintained. Rotor dynamics and duct momentum dynamics are also included. Altogether there are 16 state variables and state equations. DIGTEM features a backward-differnce integration scheme for integrating stiff systems. It trims the model equations to match a prescribed design point by calculating correction coefficients that balance out the dynamic equations. It uses the same coefficients at off-design points and iterates to a balanced engine condition. Transients can also be run. They are generated by defining controls as a function of time (open-loop control) in a user-written subroutine (TMRSP). DIGTEM has run on the IBM 370/3033 computer using implicit integration with time steps ranging from 1.0 msec to 1.0 sec. DIGTEM is generalized in the aerothermodynamic treatment of components.

  20. Applications of Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.

    2004-01-01

    Initial steps in the application o f a low-order panel method computational fluid dynamic (CFD) code to the calculation of aircraft dynamic stability and control (S&C) derivatives are documented. Several capabilities, unique to CFD but not unique to this particular demonstration, are identified and demonstrated in this paper. These unique capabilities complement conventional S&C techniques and they include the ability to: 1) perform maneuvers without the flow-kinematic restrictions and support interference commonly associated with experimental S&C facilities, 2) easily simulate advanced S&C testing techniques, 3) compute exact S&C derivatives with uncertainty propagation bounds, and 4) alter the flow physics associated with a particular testing technique from those observed in a wind or water tunnel test in order to isolate effects. Also presented are discussions about some computational issues associated with the simulation of S&C tests and selected results from numerous surface grid resolution studies performed during the course of the study.

  1. Calibrating floor field cellular automaton models for pedestrian dynamics by using likelihood function optimization

    NASA Astrophysics Data System (ADS)

    Lovreglio, Ruggiero; Ronchi, Enrico; Nilsson, Daniel

    2015-11-01

    The formulation of pedestrian floor field cellular automaton models is generally based on hypothetical assumptions to represent reality. This paper proposes a novel methodology to calibrate these models using experimental trajectories. The methodology is based on likelihood function optimization and allows verifying whether the parameters defining a model statistically affect pedestrian navigation. Moreover, it allows comparing different model specifications or the parameters of the same model estimated using different data collection techniques, e.g. virtual reality experiment, real data, etc. The methodology is here implemented using navigation data collected in a Virtual Reality tunnel evacuation experiment including 96 participants. A trajectory dataset in the proximity of an emergency exit is used to test and compare different metrics, i.e. Euclidean and modified Euclidean distance, for the static floor field. In the present case study, modified Euclidean metrics provide better fitting with the data. A new formulation using random parameters for pedestrian cellular automaton models is also defined and tested.

  2. Computer Assisted Instruction of Population Dynamics: A New Approach to Population Education. Report No. T-19.

    ERIC Educational Resources Information Center

    Klaff, Vivian; Handler, Paul

    Available on the University of Illinois PLATO IV Computer system, the Population Dynamic Group computer-aided instruction program for teaching population dynamics is described and explained. The computer-generated visual graphics enable fast and intuitive understanding of the dynamics of population and of the concepts and data of population. The…

  3. Simple and Flexible Self-Reproducing Structures in Asynchronous Cellular Automata and Their Dynamics

    NASA Astrophysics Data System (ADS)

    Huang, Xin; Lee, Jia; Yang, Rui-Long; Zhu, Qing-Sheng

    2013-03-01

    Self-reproduction on asynchronous cellular automata (ACAs) has attracted wide attention due to the evident artifacts induced by synchronous updating. Asynchronous updating, which allows cells to undergo transitions independently at random times, might be more compatible with the natural processes occurring at micro-scale, but the dark side of the coin is the increment in the complexity of an ACA in order to accomplish stable self-reproduction. This paper proposes a novel model of self-timed cellular automata (STCAs), a special type of ACAs, where unsheathed loops are able to duplicate themselves reliably in parallel. The removal of sheath cannot only allow various loops with more flexible and compact structures to replicate themselves, but also reduce the number of cell states of the STCA as compared to the previous model adopting sheathed loops [Y. Takada, T. Isokawa, F. Peper and N. Matsui, Physica D227, 26 (2007)]. The lack of sheath, on the other hand, often tends to cause much more complicated interactions among loops, when all of them struggle independently to stretch out their constructing arms at the same time. In particular, such intense collisions may even cause the emergence of a mess of twisted constructing arms in the cellular space. By using a simple and natural method, our self-reproducing loops (SRLs) are able to retract their arms successively, thereby disentangling from the mess successfully.

  4. ELECTROMAGNETISM, OPTICS, ACOUSTICS, HEAT TRANSFER, CLASSICAL MECHANICS, AND FLUID DYNAMICS: Cellular Automaton Simulations for Target Waves in Excitable Media

    NASA Astrophysics Data System (ADS)

    Zhang, Li-Sheng; Deng, Min-Yi; Kong, Ling-Jiang; Liu, Mu-Ren; Tang, Guo-Ning

    2010-01-01

    Using the Greenberg-Hasting cellular automata model, we study the properties of target waves in excitable media under the no-flux boundary conditions. For the system has only one excited state, the computer simulation and analysis lead to the conclusions that, the number of refractory states does not influence the wave-front speed; the wave-front speed decreases as the excitation threshold increases and increases as the neighbor radius increases; the period of target waves is equal to the number of cell states; the excitation condition for target waves is that the wave-front speed must be bigger than half of the neighbor radius.

  5. Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review

    PubMed Central

    Paquet, Eric; Viktor, Herna L.

    2015-01-01

    Macromolecular structures, such as neuraminidases, hemagglutinins, and monoclonal antibodies, are not rigid entities. Rather, they are characterised by their flexibility, which is the result of the interaction and collective motion of their constituent atoms. This conformational diversity has a significant impact on their physicochemical and biological properties. Among these are their structural stability, the transport of ions through the M2 channel, drug resistance, macromolecular docking, binding energy, and rational epitope design. To assess these properties and to calculate the associated thermodynamical observables, the conformational space must be efficiently sampled and the dynamic of the constituent atoms must be simulated. This paper presents algorithms and techniques that address the abovementioned issues. To this end, a computational review of molecular dynamics, Monte Carlo simulations, Langevin dynamics, and free energy calculation is presented. The exposition is made from first principles to promote a better understanding of the potentialities, limitations, applications, and interrelations of these computational methods. PMID:25785262

  6. Molecular dynamics, monte carlo simulations, and langevin dynamics: a computational review.

    PubMed

    Paquet, Eric; Viktor, Herna L

    2015-01-01

    Macromolecular structures, such as neuraminidases, hemagglutinins, and monoclonal antibodies, are not rigid entities. Rather, they are characterised by their flexibility, which is the result of the interaction and collective motion of their constituent atoms. This conformational diversity has a significant impact on their physicochemical and biological properties. Among these are their structural stability, the transport of ions through the M2 channel, drug resistance, macromolecular docking, binding energy, and rational epitope design. To assess these properties and to calculate the associated thermodynamical observables, the conformational space must be efficiently sampled and the dynamic of the constituent atoms must be simulated. This paper presents algorithms and techniques that address the abovementioned issues. To this end, a computational review of molecular dynamics, Monte Carlo simulations, Langevin dynamics, and free energy calculation is presented. The exposition is made from first principles to promote a better understanding of the potentialities, limitations, applications, and interrelations of these computational methods. PMID:25785262

  7. Theoretical and computational dynamics of a compressible flow

    NASA Technical Reports Server (NTRS)

    Pai, Shih-I; Luo, Shijun

    1991-01-01

    An introduction to the theoretical and computational fluid dynamics of a compressible fluid is presented. The general topics addressed include: thermodynamics and physical properties of compressible fluids; 1D flow of an inviscid compressible fluid; shock waves; fundamental equations of the dynamics of a compressible inviscid non-heat-conducting and radiating fluid, method of small perturbations, linearized theory; 2D subsonic steady potential flow; hodograph and rheograph methods, exact solutions of 2D insentropic steady flow equations, 2D steady transonic and hypersonic flows, method of characteristics, linearized theory of 3D potential flow, nonlinear theory of 3D compressibe flow, anisentropic (rotational) flow of inviscid compressible fluid, electromagnetogasdynamics, multiphase flows, flows of a compressible fluid with transport phenomena.

  8. Computational modeling approaches to the dynamics of oncolytic viruses.

    PubMed

    Wodarz, Dominik

    2016-05-01

    Replicating oncolytic viruses represent a promising treatment approach against cancer, specifically targeting the tumor cells. Significant progress has been made through experimental and clinical studies. Besides these approaches, however, mathematical models can be useful when analyzing the dynamics of virus spread through tumors, because the interactions between a growing tumor and a replicating virus are complex and nonlinear, making them difficult to understand by experimentation alone. Mathematical models have provided significant biological insight into the field of virus dynamics, and similar approaches can be adopted to study oncolytic viruses. The review discusses this approach and highlights some of the challenges that need to be overcome in order to build mathematical and computation models that are clinically predictive. WIREs Syst Biol Med 2016, 8:242-252. doi: 10.1002/wsbm.1332 For further resources related to this article, please visit the WIREs website. PMID:27001049

  9. SciDAC Advances and Applications in Computational Beam Dynamics

    SciTech Connect

    Ryne, R.; Abell, D.; Adelmann, A.; Amundson, J.; Bohn, C.; Cary, J.; Colella, P.; Dechow, D.; Decyk, V.; Dragt, A.; Gerber, R.; Habib, S.; Higdon, D.; Katsouleas, T.; Ma, K.-L.; McCorquodale, P.; Mihalcea, D.; Mitchell, C.; Mori, W.; Mottershead, C.T.; Neri, F.; Pogorelov, I.; Qiang, J.; Samulyak, R.; Serafini, D.; Shalf, J.; Siegerist, C.; Spentzouris, P.; Stoltz, P.; Terzic, B.; Venturini, M.; Walstrom, P.

    2005-06-26

    SciDAC has had a major impact on computational beam dynamics and the design of particle accelerators. Particle accelerators--which account for half of the facilities in the DOE Office of Science Facilities for the Future of Science 20 Year Outlook--are crucial for US scientific, industrial, and economic competitiveness. Thanks to SciDAC, accelerator design calculations that were once thought impossible are now carried routinely, and new challenging and important calculations are within reach. SciDAC accelerator modeling codes are being used to get the most science out of existing facilities, to produce optimal designs for future facilities, and to explore advanced accelerator concepts that may hold the key to qualitatively new ways of accelerating charged particle beams. In this poster we present highlights from the SciDAC Accelerator Science and Technology (AST) project Beam Dynamics focus area in regard to algorithm development, software development, and applications.

  10. Emotions are emergent processes: they require a dynamic computational architecture

    PubMed Central

    Scherer, Klaus R.

    2009-01-01

    Emotion is a cultural and psychobiological adaptation mechanism which allows each individual to react flexibly and dynamically to environmental contingencies. From this claim flows a description of the elements theoretically needed to construct a virtual agent with the ability to display human-like emotions and to respond appropriately to human emotional expression. This article offers a brief survey of the desirable features of emotion theories that make them ideal blueprints for agent models. In particular, the component process model of emotion is described, a theory which postulates emotion-antecedent appraisal on different levels of processing that drive response system patterning predictions. In conclusion, investing seriously in emergent computational modelling of emotion using a nonlinear dynamic systems approach is suggested. PMID:19884141

  11. Data set for comparison of cellular dynamics between human AAVS1 locus-modified and wild-type cells

    PubMed Central

    Mizutani, Takeomi; Haga, Hisashi; Kawabata, Kazushige

    2016-01-01

    This data article describes cellular dynamics, such as migration speed and mobility of the cytoskeletal protein, of wild-type human fibroblast cells and cells with a modified adeno-associated virus integration site 1 (AAVS1) locus on human chromosome 19. Insertion of exogenous gene into the AAVS1 locus has been conducted in recent biological researches. Previously, our data showed that the AAVS1-modification changes cellular contractile force (Mizutani et al., 2015 [1]). To assess if this AAVS1-modification affects cell migration, we compared cellular migration speed and turnover of cytoskeletal protein in human fibroblasts and fibroblasts with a green fluorescent protein gene knocked-in at the AAVS1 locus in this data article. Cell nuclei were stained and changes in their position attributable to cell migration were analyzed. Fluorescence recovery was observed after photobleaching for the fluorescent protein-tagged myosin regulatory light chain. Data here are related to the research article “Transgene Integration into the Human AAVS1 Locus Enhances Myosin II-Dependent Contractile Force by Reducing Expression of Myosin Binding Subunit 85” [1]. PMID:26937449

  12. Data set for comparison of cellular dynamics between human AAVS1 locus-modified and wild-type cells.

    PubMed

    Mizutani, Takeomi; Haga, Hisashi; Kawabata, Kazushige

    2016-03-01

    This data article describes cellular dynamics, such as migration speed and mobility of the cytoskeletal protein, of wild-type human fibroblast cells and cells with a modified adeno-associated virus integration site 1 (AAVS1) locus on human chromosome 19. Insertion of exogenous gene into the AAVS1 locus has been conducted in recent biological researches. Previously, our data showed that the AAVS1-modification changes cellular contractile force (Mizutani et al., 2015 [1]). To assess if this AAVS1-modification affects cell migration, we compared cellular migration speed and turnover of cytoskeletal protein in human fibroblasts and fibroblasts with a green fluorescent protein gene knocked-in at the AAVS1 locus in this data article. Cell nuclei were stained and changes in their position attributable to cell migration were analyzed. Fluorescence recovery was observed after photobleaching for the fluorescent protein-tagged myosin regulatory light chain. Data here are related to the research article "Transgene Integration into the Human AAVS1 Locus Enhances Myosin II-Dependent Contractile Force by Reducing Expression of Myosin Binding Subunit 85" [1]. PMID:26937449

  13. Application of a distributed network in computational fluid dynamic simulations

    NASA Technical Reports Server (NTRS)

    Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.; Deshpande, Ashish

    1994-01-01

    A general-purpose 3-D, incompressible Navier-Stokes algorithm is implemented on a network of concurrently operating workstations using parallel virtual machine (PVM) and compared with its performance on a CRAY Y-MP and on an Intel iPSC/860. The problem is relatively computationally intensive, and has a communication structure based primarily on nearest-neighbor communication, making it ideally suited to message passing. Such problems are frequently encountered in computational fluid dynamics (CDF), and their solution is increasingly in demand. The communication structure is explicitly coded in the implementation to fully exploit the regularity in message passing in order to produce a near-optimal solution. Results are presented for various grid sizes using up to eight processors.

  14. Immersive visualization for enhanced computational fluid dynamics analysis.

    PubMed

    Quam, David J; Gundert, Timothy J; Ellwein, Laura; Larkee, Christopher E; Hayden, Paul; Migrino, Raymond Q; Otake, Hiromasa; LaDisa, John F

    2015-03-01

    Modern biomedical computer simulations produce spatiotemporal results that are often viewed at a single point in time on standard 2D displays. An immersive visualization environment (IVE) with 3D stereoscopic capability can mitigate some shortcomings of 2D displays via improved depth cues and active movement to further appreciate the spatial localization of imaging data with temporal computational fluid dynamics (CFD) results. We present a semi-automatic workflow for the import, processing, rendering, and stereoscopic visualization of high resolution, patient-specific imaging data, and CFD results in an IVE. Versatility of the workflow is highlighted with current clinical sequelae known to be influenced by adverse hemodynamics to illustrate potential clinical utility. PMID:25378201

  15. Computational strategies in the dynamic simulation of constrained flexible MBS

    NASA Technical Reports Server (NTRS)

    Amirouche, F. M. L.; Xie, M.

    1993-01-01

    This research focuses on the computational dynamics of flexible constrained multibody systems. At first a recursive mapping formulation of the kinematical expressions in a minimum dimension as well as the matrix representation of the equations of motion are presented. The method employs Kane's equation, FEM, and concepts of continuum mechanics. The generalized active forces are extended to include the effects of high temperature conditions, such as creep, thermal stress, and elastic-plastic deformation. The time variant constraint relations for rolling/contact conditions between two flexible bodies are also studied. The constraints for validation of MBS simulation of gear meshing contact using a modified Timoshenko beam theory are also presented. The last part deals with minimization of vibration/deformation of the elastic beam in multibody systems making use of time variant boundary conditions. The above methodologies and computational procedures developed are being implemented in a program called DYAMUS.

  16. Computational Fluid Dynamics at NASA Ames Research Center

    NASA Technical Reports Server (NTRS)

    Kutler, Paul

    1994-01-01

    Computational fluid dynamics (CFD) is beginning to play a major role in the aircraft industry of the United States because of the realization that CFD can be a new and effective design tool and thus could provide a company with a competitive advantage. It is also playing a significant role in research institutions, both governmental and academic, as a tool for researching new fluid physics, as well as supplementing and complementing experimental testing. In this presentation, some of the progress made to date in CFD at NASA Ames will be reviewed. The presentation addresses the status of CFD in terms of methods, examples of CFD solutions, and computer technology. In addition, the role CFD will play in supporting the revolutionary goals set forth by the Aeronautical Policy Review Committee established by the Office of Science and Technology Policy is noted. The need for validated CFD tools is also briefly discussed.

  17. Parallelization of implicit finite difference schemes in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Decker, Naomi H.; Naik, Vijay K.; Nicoules, Michel

    1990-01-01

    Implicit finite difference schemes are often the preferred numerical schemes in computational fluid dynamics, requiring less stringent stability bounds than the explicit schemes. Each iteration in an implicit scheme involves global data dependencies in the form of second and higher order recurrences. Efficient parallel implementations of such iterative methods are considerably more difficult and non-intuitive. The parallelization of the implicit schemes that are used for solving the Euler and the thin layer Navier-Stokes equations and that require inversions of large linear systems in the form of block tri-diagonal and/or block penta-diagonal matrices is discussed. Three-dimensional cases are emphasized and schemes that minimize the total execution time are presented. Partitioning and scheduling schemes for alleviating the effects of the global data dependencies are described. An analysis of the communication and the computation aspects of these methods is presented. The effect of the boundary conditions on the parallel schemes is also discussed.

  18. Computational methods. [Calculation of dynamic loading to offshore platforms

    SciTech Connect

    Maeda, H. . Inst. of Industrial Science)

    1993-02-01

    With regard to the computational methods for hydrodynamic forces, first identification of marine hydrodynamics in offshore technology is discussed. Then general computational methods, the state of the arts and uncertainty on flow problems in offshore technology in which developed, developing and undeveloped problems are categorized and future works follow. Marine hydrodynamics consists of water surface and underwater fluid dynamics. Marine hydrodynamics covers, not only hydro, but also aerodynamics such as wind load or current-wave-wind interaction, hydrodynamics such as cavitation, underwater noise, multi-phase flow such as two-phase flow in pipes or air bubble in water or surface and internal waves, and magneto-hydrodynamics such as propulsion due to super conductivity. Among them, two key words are focused on as the identification of marine hydrodynamics in offshore technology; they are free surface and vortex shedding.

  19. Data Point Averaging for Computational Fluid Dynamics Data

    NASA Technical Reports Server (NTRS)

    Norman, Jr., David (Inventor)

    2016-01-01

    A system and method for generating fluid flow parameter data for use in aerodynamic heating analysis. Computational fluid dynamics data is generated for a number of points in an area on a surface to be analyzed. Sub-areas corresponding to areas of the surface for which an aerodynamic heating analysis is to be performed are identified. A computer system automatically determines a sub-set of the number of points corresponding to each of the number of sub-areas and determines a value for each of the number of sub-areas using the data for the sub-set of points corresponding to each of the number of sub-areas. The value is determined as an average of the data for the sub-set of points corresponding to each of the number of sub-areas. The resulting parameter values then may be used to perform an aerodynamic heating analysis.

  20. Use of computational fluid dynamics in respiratory medicine.

    PubMed

    Fernández Tena, Ana; Casan Clarà, Pere

    2015-06-01

    Computational Fluid Dynamics (CFD) is a computer-based tool for simulating fluid movement. The main advantages of CFD over other fluid mechanics studies include: substantial savings in time and cost, the analysis of systems or conditions that are very difficult to simulate experimentally (as is the case of the airways), and a practically unlimited level of detail. We used the Ansys-Fluent CFD program to develop a conducting airway model to simulate different inspiratory flow rates and the deposition of inhaled particles of varying diameters, obtaining results consistent with those reported in the literature using other procedures. We hope this approach will enable clinicians to further individualize the treatment of different respiratory diseases. PMID:25618456

  1. Data Point Averaging for Computational Fluid Dynamics Data

    NASA Technical Reports Server (NTRS)

    Norman, David, Jr. (Inventor)

    2014-01-01

    A system and method for generating fluid flow parameter data for use in aerodynamic heating analysis. Computational fluid dynamics data is generated for a number of points in an area on a surface to be analyzed. Sub-areas corresponding to areas of the surface for which an aerodynamic heating analysis is to be performed are identified. A computer system automatically determines a sub-set of the number of points corresponding to each of the number of sub-areas and determines a value for each of the number of sub-areas using the data for the sub-set of points corresponding to each of the number of sub-areas. The value is determined as an average of the data for the sub-set of points corresponding to each of the number of sub-areas. The resulting parameter values then may be used to perform an aerodynamic heating analysis.

  2. The very local Hubble flow: Computer simulations of dynamical history

    NASA Astrophysics Data System (ADS)

    Chernin, A. D.; Karachentsev, I. D.; Valtonen, M. J.; Dolgachev, V. P.; Domozhilova, L. M.; Makarov, D. I.

    2004-02-01

    The phenomenon of the very local (≤3 Mpc) Hubble flow is studied on the basis of the data of recent precision observations. A set of computer simulations is performed to trace the trajectories of the flow galaxies back in time to the epoch of the formation of the Local Group. It is found that the ``initial conditions'' of the flow are drastically different from the linear velocity-distance relation. The simulations enable one also to recognize the major trends of the flow evolution and identify the dynamical role of universal antigravity produced by the cosmic vacuum.

  3. Executive Summary: Special Section on Credible Computational Fluid Dynamics Simulations

    NASA Technical Reports Server (NTRS)

    Mehta, Unmeel B.

    1998-01-01

    This summary presents the motivation for the Special Section on the credibility of computational fluid dynamics (CFD) simulations, its objective, its background and context, its content, and its major conclusions. Verification and validation (V&V) are the processes for establishing the credibility of CFD simulations. Validation assesses whether correct things are performed and verification assesses whether they are performed correctly. Various aspects of V&V are discussed. Progress is made in verification of simulation models. Considerable effort is still needed for developing a systematic validation method that can assess the credibility of simulated reality.

  4. Computer studies of multiple-quantum spin dynamics

    SciTech Connect

    Murdoch, J.B.

    1982-11-01

    The excitation and detection of multiple-quantum (MQ) transitions in Fourier transform NMR spectroscopy is an interesting problem in the quantum mechanical dynamics of spin systems as well as an important new technique for investigation of molecular structure. In particular, multiple-quantum spectroscopy can be used to simplify overly complex spectra or to separate the various interactions between a nucleus and its environment. The emphasis of this work is on computer simulation of spin-system evolution to better relate theory and experiment.

  5. Continuing Validation of Computational Fluid Dynamics for Supersonic Retropropulsion

    NASA Technical Reports Server (NTRS)

    Schauerhamer, Daniel Guy; Trumble, Kerry A.; Kleb, Bil; Carlson, Jan-Renee; Edquist, Karl T.

    2011-01-01

    A large step in the validation of Computational Fluid Dynamics (CFD) for Supersonic Retropropulsion (SRP) is shown through the comparison of three Navier-Stokes solvers (DPLR, FUN3D, and OVERFLOW) and wind tunnel test results. The test was designed specifically for CFD validation and was conducted in the Langley supersonic 4 x4 Unitary Plan Wind Tunnel and includes variations in the number of nozzles, Mach and Reynolds numbers, thrust coefficient, and angles of orientation. Code-to-code and code-to-test comparisons are encouraging and possible error sources are discussed.

  6. Computer Modeling of Real-Time Dynamic Lighting

    NASA Technical Reports Server (NTRS)

    Maida, James C.; Pace, J.; Novak, J.; Russo, Dane M. (Technical Monitor)

    2000-01-01

    Space Station tasks involve procedures that are very complex and highly dependent on the availability of visual information. In many situations, cameras are used as tools to help overcome the visual and physical restrictions associated with space flight. However, these cameras are effected by the dynamic lighting conditions of space. Training for these is conditions is necessary. The current project builds on the findings of an earlier NRA funded project, which revealed improved performance by humans when trained with computer graphics and lighting effects such as shadows and glare.

  7. New Challenges in Visualization of Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Gerald-Yamasaki, Michael; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    The development of visualization systems for analyzing computational fluid dynamics data has been driven by increasing size and complexity of the data. New extensions to the system domain into analysis of data from multiple sources, parameter space studies, and multidisciplinary studies in support of integrated aeronautical design systems provide new g challenges for the visualization system developer. Recent work at NASA Ames Research Center in visualization systems, automatic flow feature detection, unsteady flow visualization techniques, and a new area, data exploitation, will be discussed in the context of NASA information technology initiatives.

  8. Computational complexity of ecological and evolutionary spatial dynamics

    PubMed Central

    Ibsen-Jensen, Rasmus; Chatterjee, Krishnendu; Nowak, Martin A.

    2015-01-01

    There are deep, yet largely unexplored, connections between computer science and biology. Both disciplines examine how information proliferates in time and space. Central results in computer science describe the complexity of algorithms that solve certain classes of problems. An algorithm is deemed efficient if it can solve a problem in polynomial time, which means the running time of the algorithm is a polynomial function of the length of the input. There are classes of harder problems for which the fastest possible algorithm requires exponential time. Another criterion is the space requirement of the algorithm. There is a crucial distinction between algorithms that can find a solution, verify a solution, or list several distinct solutions in given time and space. The complexity hierarchy that is generated in this way is the foundation of theoretical computer science. Precise complexity results can be notoriously difficult. The famous question whether polynomial time equals nondeterministic polynomial time (i.e., P = NP) is one of the hardest open problems in computer science and all of mathematics. Here, we consider simple processes of ecological and evolutionary spatial dynamics. The basic question is: What is the probability that a new invader (or a new mutant) will take over a resident population? We derive precise complexity results for a variety of scenarios. We therefore show that some fundamental questions in this area cannot be answered by simple equations (assuming that P is not equal to NP). PMID:26644569

  9. PArallel Reacting Multiphase FLOw Computational Fluid Dynamic Analysis

    Energy Science and Technology Software Center (ESTSC)

    2002-06-01

    PARMFLO is a parallel multiphase reacting flow computational fluid dynamics (CFD) code. It can perform steady or unsteady simulations in three space dimensions. It is intended for use in engineering CFD analysis of industrial flow system components. Its parallel processing capabilities allow it to be applied to problems that use at least an order of magnitude more computational cells than the number that can be used on a typical single processor workstation (about 106 cellsmore » in parallel processing mode versus about io cells in serial processing mode). Alternately, by spreading the work of a CFD problem that could be run on a single workstation over a group of computers on a network, it can bring the runtime down by an order of magnitude or more (typically from many days to less than one day). The software was implemented using the industry standard Message-Passing Interface (MPI) and domain decomposition in one spatial direction. The phases of a flow problem may include an ideal gas mixture with an arbitrary number of chemical species, and dispersed droplet and particle phases. Regions of porous media may also be included within the domain. The porous media may be packed beds, foams, or monolith catalyst supports. With these features, the code is especially suited to analysis of mixing of reactants in the inlet chamber of catalytic reactors coupled to computation of product yields that result from the flow of the mixture through the catalyst coaled support structure.« less

  10. PArallel Reacting Multiphase FLOw Computational Fluid Dynamic Analysis

    SciTech Connect

    Lottes, Steven A.

    2002-06-01

    PARMFLO is a parallel multiphase reacting flow computational fluid dynamics (CFD) code. It can perform steady or unsteady simulations in three space dimensions. It is intended for use in engineering CFD analysis of industrial flow system components. Its parallel processing capabilities allow it to be applied to problems that use at least an order of magnitude more computational cells than the number that can be used on a typical single processor workstation (about 106 cells in parallel processing mode versus about io cells in serial processing mode). Alternately, by spreading the work of a CFD problem that could be run on a single workstation over a group of computers on a network, it can bring the runtime down by an order of magnitude or more (typically from many days to less than one day). The software was implemented using the industry standard Message-Passing Interface (MPI) and domain decomposition in one spatial direction. The phases of a flow problem may include an ideal gas mixture with an arbitrary number of chemical species, and dispersed droplet and particle phases. Regions of porous media may also be included within the domain. The porous media may be packed beds, foams, or monolith catalyst supports. With these features, the code is especially suited to analysis of mixing of reactants in the inlet chamber of catalytic reactors coupled to computation of product yields that result from the flow of the mixture through the catalyst coaled support structure.

  11. Computational simulation of hematocrit effects on arterial gas embolism dynamics

    PubMed Central

    Mukundakrishnan, Karthik; Ayyaswamy, Portonovo S.; Eckmann, David M.

    2012-01-01

    Background Recent computational investigations have shed light into the various hydrodynamic mechanisms at play during arterial gas embolism that may result in endothelial cell (EC) injury. Other recent studies have suggested that variations in hematocrit level may play an important role in determining the severity of neurological complications due to decompression sickness associated with gas embolism. Methods Towards developing a comprehensive picture, we have computationally modeled the effect of hematocrit variations on the motion of a nearly occluding gas bubble in arterial blood vessels of various sizes. The computational methodology is based on an axisymmetric finite difference immersed boundary numerical method to precisely track the blood-bubble dynamics of the interface. Hematocrit variations are taken to be in the range 0.2–0.6. The chosen blood vessel sizes correspond to small arteries, and small and large arterioles in normal humans. Results Relevant hydrodynamic interactions between the gas bubble and EC-lined vessel lumen have been characterized and quantified as a function of hematocrit levels. In particular, the variations in shear stress, spatial and temporal shear stress gradients, and the gap between bubble and vascular endothelium surfaces that contribute to EC injury have been computed. Discussion The results suggest that in small arteries, the deleterious hydrodynamic effects of the gas embolism on EC-lined cell wall are significantly amplified as the hematocrit levels increase. However, such pronounced variations with hematocrit levels are not observed in the arterioles. PMID:22303587

  12. Computational complexity of ecological and evolutionary spatial dynamics.

    PubMed

    Ibsen-Jensen, Rasmus; Chatterjee, Krishnendu; Nowak, Martin A

    2015-12-22

    There are deep, yet largely unexplored, connections between computer science and biology. Both disciplines examine how information proliferates in time and space. Central results in computer science describe the complexity of algorithms that solve certain classes of problems. An algorithm is deemed efficient if it can solve a problem in polynomial time, which means the running time of the algorithm is a polynomial function of the length of the input. There are classes of harder problems for which the fastest possible algorithm requires exponential time. Another criterion is the space requirement of the algorithm. There is a crucial distinction between algorithms that can find a solution, verify a solution, or list several distinct solutions in given time and space. The complexity hierarchy that is generated in this way is the foundation of theoretical computer science. Precise complexity results can be notoriously difficult. The famous question whether polynomial time equals nondeterministic polynomial time (i.e., P = NP) is one of the hardest open problems in computer science and all of mathematics. Here, we consider simple processes of ecological and evolutionary spatial dynamics. The basic question is: What is the probability that a new invader (or a new mutant) will take over a resident population? We derive precise complexity results for a variety of scenarios. We therefore show that some fundamental questions in this area cannot be answered by simple equations (assuming that P is not equal to NP). PMID:26644569

  13. Dynamic Inlet Distortion Prediction with a Combined Computational Fluid Dynamics and Distortion Synthesis Approach

    NASA Technical Reports Server (NTRS)

    Norby, W. P.; Ladd, J. A.; Yuhas, A. J.

    1996-01-01

    A procedure has been developed for predicting peak dynamic inlet distortion. This procedure combines Computational Fluid Dynamics (CFD) and distortion synthesis analysis to obtain a prediction of peak dynamic distortion intensity and the associated instantaneous total pressure pattern. A prediction of the steady state total pressure pattern at the Aerodynamic Interface Plane is first obtained using an appropriate CFD flow solver. A corresponding inlet turbulence pattern is obtained from the CFD solution via a correlation linking root mean square (RMS) inlet turbulence to a formulation of several CFD parameters representative of flow turbulence intensity. This correlation was derived using flight data obtained from the NASA High Alpha Research Vehicle flight test program and several CFD solutions at conditions matching the flight test data. A distortion synthesis analysis is then performed on the predicted steady state total pressure and RMS turbulence patterns to yield a predicted value of dynamic distortion intensity and the associated instantaneous total pressure pattern.

  14. Capturing the dynamic nascent transcriptome during acute cellular responses: The serum response

    PubMed Central

    Kirkconnell, Killeen S.; Paulsen, Michelle T.; Magnuson, Brian; Bedi, Karan

    2016-01-01

    ABSTRACT Dynamic regulation of gene expression via signal transduction pathways is of fundamental importance during many biological processes such as cell state transitioning, cell cycle progression and stress responses. In this study we used serum stimulation as a cell response paradigm to apply the nascent RNA Bru-seq technique in order to capture early dynamic changes in the nascent transcriptome. Our data provides an unprecedented view of the dynamics of genome-wide transcription during the first two hours of serum stimulation in human fibroblasts. While some genes showed sustained induction or repression, other genes showed transient or delayed responses. Surprisingly, the dynamic patterns of induction and suppression of response genes showed a high degree of similarity, suggesting that these opposite outcomes are triggered by a common set of signals. As expected, early response genes such as those encoding components of the AP-1 transcription factor and those involved in the circadian clock were immediately but transiently induced. Surprisingly, transcription of important DNA damage response genes and histone genes were rapidly repressed. We also show that RNA polymerase II accelerates as it transcribes large genes and this was independent of whether the gene was induced or not. These results provide a unique genome-wide depiction of dynamic patterns of transcription of serum response genes and demonstrate the utility of Bru-seq to comprehensively capture rapid and dynamic changes of the nascent transcriptome. PMID:27230646

  15. Capturing the dynamic nascent transcriptome during acute cellular responses: The serum response.

    PubMed

    Kirkconnell, Killeen S; Paulsen, Michelle T; Magnuson, Brian; Bedi, Karan; Ljungman, Mats

    2016-01-01

    Dynamic regulation of gene expression via signal transduction pathways is of fundamental importance during many biological processes such as cell state transitioning, cell cycle progression and stress responses. In this study we used serum stimulation as a cell response paradigm to apply the nascent RNA Bru-seq technique in order to capture early dynamic changes in the nascent transcriptome. Our data provides an unprecedented view of the dynamics of genome-wide transcription during the first two hours of serum stimulation in human fibroblasts. While some genes showed sustained induction or repression, other genes showed transient or delayed responses. Surprisingly, the dynamic patterns of induction and suppression of response genes showed a high degree of similarity, suggesting that these opposite outcomes are triggered by a common set of signals. As expected, early response genes such as those encoding components of the AP-1 transcription factor and those involved in the circadian clock were immediately but transiently induced. Surprisingly, transcription of important DNA damage response genes and histone genes were rapidly repressed. We also show that RNA polymerase II accelerates as it transcribes large genes and this was independent of whether the gene was induced or not. These results provide a unique genome-wide depiction of dynamic patterns of transcription of serum response genes and demonstrate the utility of Bru-seq to comprehensively capture rapid and dynamic changes of the nascent transcriptome. PMID:27230646

  16. Modelling cellular behaviour

    NASA Astrophysics Data System (ADS)

    Endy, Drew; Brent, Roger

    2001-01-01

    Representations of cellular processes that can be used to compute their future behaviour would be of general scientific and practical value. But past attempts to construct such representations have been disappointing. This is now changing. Increases in biological understanding combined with advances in computational methods and in computer power make it possible to foresee construction of useful and predictive simulations of cellular processes.

  17. Improvement in computational fluid dynamics through boundary verification and preconditioning

    NASA Astrophysics Data System (ADS)

    Folkner, David E.

    This thesis provides improvements to computational fluid dynamics accuracy and efficiency through two main methods: a new boundary condition verification procedure and preconditioning techniques. First, a new verification approach that addresses boundary conditions was developed. In order to apply the verification approach to a large range of arbitrary boundary conditions, it was necessary to develop unifying mathematical formulation. A framework was developed that allows for the application of Dirichlet, Neumann, and extrapolation boundary condition, or in some cases the equations of motion directly. Verification of boundary condition techniques was performed using exact solutions from canonical fluid dynamic test cases. Second, to reduce computation time and improve accuracy, preconditioning algorithms were applied via artificial dissipation schemes. A new convective upwind and split pressure (CUSP) scheme was devised and was shown to be more effective than traditional preconditioning schemes in certain scenarios. The new scheme was compared with traditional schemes for unsteady flows for which both convective and acoustic effects dominated. Both boundary conditions and preconditioning algorithms were implemented in the context of a "strand grid" solver. While not the focus of this thesis, strand grids provide automatic viscous quality meshing and are suitable for moving mesh overset problems.

  18. Issues in computational fluid dynamics code verification and validation

    SciTech Connect

    Oberkampf, W.L.; Blottner, F.G.

    1997-09-01

    A broad range of mathematical modeling errors of fluid flow physics and numerical approximation errors are addressed in computational fluid dynamics (CFD). It is strongly believed that if CFD is to have a major impact on the design of engineering hardware and flight systems, the level of confidence in complex simulations must substantially improve. To better understand the present limitations of CFD simulations, a wide variety of physical modeling, discretization, and solution errors are identified and discussed. Here, discretization and solution errors refer to all errors caused by conversion of the original partial differential, or integral, conservation equations representing the physical process, to algebraic equations and their solution on a computer. The impact of boundary conditions on the solution of the partial differential equations and their discrete representation will also be discussed. Throughout the article, clear distinctions are made between the analytical mathematical models of fluid dynamics and the numerical models. Lax`s Equivalence Theorem and its frailties in practical CFD solutions are pointed out. Distinctions are also made between the existence and uniqueness of solutions to the partial differential equations as opposed to the discrete equations. Two techniques are briefly discussed for the detection and quantification of certain types of discretization and grid resolution errors.

  19. Computational fluid dynamics modeling for emergency preparedness & response

    SciTech Connect

    Lee, R.L.; Albritton, J.R.; Ermak, D.L.; Kim, J.

    1995-07-01

    Computational fluid dynamics (CFD) has played an increasing role in the improvement of atmospheric dispersion modeling. This is because many dispersion models are now driven by meteorological fields generated from CFD models or, in numerical weather prediction`s terminology, prognostic models. Whereas most dispersion models typically involve one or a few scalar, uncoupled equations, the prognostic equations are a set of highly-coupled, nonlinear equations whose solution requires a significant level of computational power. Until recently, such computer power could be found only in CRAY-class supercomputers. Recent advances in computer hardware and software have enabled modestly-priced, high performance, workstations to exhibit the equivalent computation power of some mainframes. Thus desktop-class machines that were limited to performing dispersion calculations driven by diagnostic wind fields may now be used to calculate complex flows using prognostic CFD models. The Atmospheric Release and Advisory Capability (ARAC) program at Lawrence Livermore National Laboratory (LLNL) has, for the past several years, taken advantage of the improvements in hardware technology to develop a national emergency response capability based on executing diagnostic models on workstations. Diagnostic models that provide wind fields are, in general, simple to implement, robust and require minimal time for execution. Such models have been the cornerstones of the ARAC operational system for the past ten years. Kamada (1992) provides a review of diagnostic models and their applications to dispersion problems. However, because these models typically contain little physics beyond mass-conservation, their performance is extremely sensitive to the quantity and quality of input meteorological data and, in spite of their utility, can be applied with confidence to only modestly complex flows.

  20. Dynamic remapping decisions in multi-phase parallel computations

    NASA Technical Reports Server (NTRS)

    Nicol, D. M.; Reynolds, P. F., Jr.

    1986-01-01

    The effectiveness of any given mapping of workload to processors in a parallel system is dependent on the stochastic behavior of the workload. Program behavior is often characterized by a sequence of phases, with phase changes occurring unpredictably. During a phase, the behavior is fairly stable, but may become quite different during the next phase. Thus a workload assignment generated for one phase may hinder performance during the next phase. We consider the problem of deciding whether to remap a paralled computation in the face of uncertainty in remapping's utility. Fundamentally, it is necessary to balance the expected remapping performance gain against the delay cost of remapping. This paper treats this problem formally by constructing a probabilistic model of a computation with at most two phases. We use stochastic dynamic programming to show that the remapping decision policy which minimizes the expected running time of the computation has an extremely simple structure: the optimal decision at any step is followed by comparing the probability of remapping gain against a threshold. This theoretical result stresses the importance of detecting a phase change, and assessing the possibility of gain from remapping. We also empirically study the sensitivity of optimal performance to imprecise decision threshold. Under a wide range of model parameter values, we find nearly optimal performance if remapping is chosen simply when the gain probability is high. These results strongly suggest that except in extreme cases, the remapping decision problem is essentially that of dynamically determining whether gain can be achieved by remapping after a phase change; precise quantification of the decision model parameters is not necessary.

  1. Dynamical Approach Study of Spurious Numerics in Nonlinear Computations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Mansour, Nagi (Technical Monitor)

    2002-01-01

    The last two decades have been an era when computation is ahead of analysis and when very large scale practical computations are increasingly used in poorly understood multiscale complex nonlinear physical problems and non-traditional fields. Ensuring a higher level of confidence in the predictability and reliability (PAR) of these numerical simulations could play a major role in furthering the design, understanding, affordability and safety of our next generation air and space transportation systems, and systems for planetary and atmospheric sciences, and in understanding the evolution and origin of life. The need to guarantee PAR becomes acute when computations offer the ONLY way of solving these types of data limited problems. Employing theory from nonlinear dynamical systems, some building blocks to ensure a higher level of confidence in PAR of numerical simulations have been revealed by the author and world expert collaborators in relevant fields. Five building blocks with supporting numerical examples were discussed. The next step is to utilize knowledge gained by including nonlinear dynamics, bifurcation and chaos theories as an integral part of the numerical process. The third step is to design integrated criteria for reliable and accurate algorithms that cater to the different multiscale nonlinear physics. This includes but is not limited to the construction of appropriate adaptive spatial and temporal discretizations that are suitable for the underlying governing equations. In addition, a multiresolution wavelets approach for adaptive numerical dissipation/filter controls for high speed turbulence, acoustics and combustion simulations will be sought. These steps are corner stones for guarding against spurious numerical solutions that are solutions of the discretized counterparts but are not solutions of the underlying governing equations.

  2. Modeling behavior dynamics using computational psychometrics within virtual worlds

    PubMed Central

    Cipresso, Pietro

    2015-01-01

    In case of fire in a building, how will people behave in the crowd? The behavior of each individual affects the behavior of others and, conversely, each one behaves considering the crowd as a whole and the individual others. In this article, I propose a three-step method to explore a brand new way to study behavior dynamics. The first step relies on the creation of specific situations with standard techniques (such as mental imagery, text, video, and audio) and an advanced technique [Virtual Reality (VR)] to manipulate experimental settings. The second step concerns the measurement of behavior in one, two, or many individuals focusing on parameters extractions to provide information about the behavior dynamics. Finally, the third step, which uses the parameters collected and measured in the previous two steps in order to simulate possible scenarios to forecast through computational models, understand, and explain behavior dynamics at the social level. An experimental study was also included to demonstrate the three-step method and a possible scenario. PMID:26594193

  3. Computer Simulation of Flow Dynamics in Paraclinoidal Aneurysms

    PubMed Central

    Kobayashi, N.; Miyachi, S.; Okamoto, T.; Kojima, T.; Hattori, K.; Qian, S.; Takeda, H.; Yoshida, J.

    2005-01-01

    Summary Endovascular treatment, which is very useful method especially for paraclinoidal aneurysms, has the limitations of coil compaction and recanalization, which are difficult to predict. We tried to understand flow dynamic features, one of the important factors of such problems, using computer flow dynamics (CFD) simulations. CFD simulations were made in paraclinoidal aneurysm model of different size and protruded directions. Flow patterns, flow velocities and pressure are analyzed. Although the pressure on the aneurismal orifice is highest in the aneurysm protruding vertically upward, the flow velocity is highest in the superior-medial protruding one. Significant difference is not observed in either flow patterns, flow velocities or pressures on the aneurismal orifices between the sizes of aneurismal sac. Among paraclinoidal aneurysms, an aneurysm protruding to superior-medially receives the most severe haemodynamic stresses at the orifice and the aneurysm size does not cause significant differences in the aspect of flow dynamics. It should be considered in the treatment of such aneurysms. PMID:20584475

  4. Classical versus quantum errors in quantum computation of dynamical systems.

    PubMed

    Rossini, Davide; Benenti, Giuliano; Casati, Giulio

    2004-11-01

    We analyze the stability of a quantum algorithm simulating the quantum dynamics of a system with different regimes, ranging from global chaos to integrability. We compare, in these different regimes, the behavior of the fidelity of quantum motion when the system's parameters are perturbed or when there are unitary errors in the quantum gates implementing the quantum algorithm. While the first kind of errors has a classical limit, the second one has no classical analog. It is shown that, whereas in the first case ("classical errors") the decay of fidelity is very sensitive to the dynamical regime, in the second case ("quantum errors") it is almost independent of the dynamical behavior of the simulated system. Therefore, the rich variety of behaviors found in the study of the stability of quantum motion under "classical" perturbations has no correspondence in the fidelity of quantum computation under its natural perturbations. In particular, in this latter case it is not possible to recover the semiclassical regime in which the fidelity decays with a rate given by the classical Lyapunov exponent. PMID:15600737

  5. Computational fluid dynamics framework for aerodynamic model assessment

    NASA Astrophysics Data System (ADS)

    Vallespin, D.; Badcock, K. J.; Da Ronch, A.; White, M. D.; Perfect, P.; Ghoreyshi, M.

    2012-07-01

    This paper reviews the work carried out at the University of Liverpool to assess the use of CFD methods for aircraft flight dynamics applications. Three test cases are discussed in the paper, namely, the Standard Dynamic Model, the Ranger 2000 jet trainer and the Stability and Control Unmanned Combat Air Vehicle. For each of these, a tabular aerodynamic model based on CFD predictions is generated along with validation against wind tunnel experiments and flight test measurements. The main purpose of the paper is to assess the validity of the tables of aerodynamic data for the force and moment prediction of realistic aircraft manoeuvres. This is done by generating a manoeuvre based on the tables of aerodynamic data, and then replaying the motion through a time-accurate computational fluid dynamics calculation. The resulting forces and moments from these simulations were compared with predictions from the tables. As the latter are based on a set of steady-state predictions, the comparisons showed perfect agreement for slow manoeuvres. As manoeuvres became more aggressive some disagreement was seen, particularly during periods of large rates of change in attitudes. Finally, the Ranger 2000 model was used on a flight simulator.

  6. Energy Conservation Using Dynamic Voltage Frequency Scaling for Computational Cloud.

    PubMed

    Florence, A Paulin; Shanthi, V; Simon, C B Sunil

    2016-01-01

    Cloud computing is a new technology which supports resource sharing on a "Pay as you go" basis around the world. It provides various services such as SaaS, IaaS, and PaaS. Computation is a part of IaaS and the entire computational requests are to be served efficiently with optimal power utilization in the cloud. Recently, various algorithms are developed to reduce power consumption and even Dynamic Voltage and Frequency Scaling (DVFS) scheme is also used in this perspective. In this paper we have devised methodology which analyzes the behavior of the given cloud request and identifies the associated type of algorithm. Once the type of algorithm is identified, using their asymptotic notations, its time complexity is calculated. Using best fit strategy the appropriate host is identified and the incoming job is allocated to the victimized host. Using the measured time complexity the required clock frequency of the host is measured. According to that CPU frequency is scaled up or down using DVFS scheme, enabling energy to be saved up to 55% of total Watts consumption. PMID:27239551

  7. Role of computational fluid dynamics in unsteady aerodynamics for aeroelasticity

    NASA Technical Reports Server (NTRS)

    Guruswamy, Guru P.; Goorjian, Peter M.

    1989-01-01

    In the last two decades there have been extensive developments in computational unsteady transonic aerodynamics. Such developments are essential since the transonic regime plays an important role in the design of modern aircraft. Therefore, there has been a large effort to develop computational tools with which to accurately perform flutter analysis at transonic speeds. In the area of Computational Fluid Dynamics (CFD), unsteady transonic aerodynamics are characterized by the feature of modeling the motion of shock waves over aerodynamic bodies, such as wings. This modeling requires the solution of nonlinear partial differential equations. Most advanced codes such as XTRAN3S use the transonic small perturbation equation. Currently, XTRAN3S is being used for generic research in unsteady aerodynamics and aeroelasticity of almost full aircraft configurations. Use of Euler/Navier Stokes equations for simple typical sections has just begun. A brief history of the development of CFD for aeroelastic applications is summarized. The development of unsteady transonic aerodynamics and aeroelasticity are also summarized.

  8. Energy Conservation Using Dynamic Voltage Frequency Scaling for Computational Cloud

    PubMed Central

    Florence, A. Paulin; Shanthi, V.; Simon, C. B. Sunil

    2016-01-01

    Cloud computing is a new technology which supports resource sharing on a “Pay as you go” basis around the world. It provides various services such as SaaS, IaaS, and PaaS. Computation is a part of IaaS and the entire computational requests are to be served efficiently with optimal power utilization in the cloud. Recently, various algorithms are developed to reduce power consumption and even Dynamic Voltage and Frequency Scaling (DVFS) scheme is also used in this perspective. In this paper we have devised methodology which analyzes the behavior of the given cloud request and identifies the associated type of algorithm. Once the type of algorithm is identified, using their asymptotic notations, its time complexity is calculated. Using best fit strategy the appropriate host is identified and the incoming job is allocated to the victimized host. Using the measured time complexity the required clock frequency of the host is measured. According to that CPU frequency is scaled up or down using DVFS scheme, enabling energy to be saved up to 55% of total Watts consumption. PMID:27239551

  9. High-Precision Computation: Mathematical Physics and Dynamics

    SciTech Connect

    Bailey, D. H.; Barrio, R.; Borwein, J. M.

    2010-04-01

    At the present time, IEEE 64-bit oating-point arithmetic is suficiently accurate for most scientic applications. However, for a rapidly growing body of important scientic computing applications, a higher level of numeric precision is required. Such calculations are facilitated by high-precision software packages that include high-level language translation modules to minimize the conversion e ort. This pa- per presents a survey of recent applications of these techniques and provides someanalysis of their numerical requirements. These applications include supernova simulations, climate modeling, planetary orbit calculations, Coulomb n-body atomic systems, studies of the one structure constant, scattering amplitudes of quarks, glu- ons and bosons, nonlinear oscillator theory, experimental mathematics, evaluation of orthogonal polynomials, numerical integration of ODEs, computation of periodic orbits, studies of the splitting of separatrices, detection of strange nonchaotic at- tractors, Ising theory, quantum held theory, and discrete dynamical systems. We conclude that high-precision arithmetic facilities are now an indispensable compo- nent of a modern large-scale scientic computing environment.

  10. High-Performance Java Codes for Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Riley, Christopher; Chatterjee, Siddhartha; Biswas, Rupak; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The computational science community is reluctant to write large-scale computationally -intensive applications in Java due to concerns over Java's poor performance, despite the claimed software engineering advantages of its object-oriented features. Naive Java implementations of numerical algorithms can perform poorly compared to corresponding Fortran or C implementations. To achieve high performance, Java applications must be designed with good performance as a primary goal. This paper presents the object-oriented design and implementation of two real-world applications from the field of Computational Fluid Dynamics (CFD): a finite-volume fluid flow solver (LAURA, from NASA Langley Research Center), and an unstructured mesh adaptation algorithm (2D_TAG, from NASA Ames Research Center). This work builds on our previous experience with the design of high-performance numerical libraries in Java. We examine the performance of the applications using the currently available Java infrastructure and show that the Java version of the flow solver LAURA performs almost within a factor of 2 of the original procedural version. Our Java version of the mesh adaptation algorithm 2D_TAG performs within a factor of 1.5 of its original procedural version on certain platforms. Our results demonstrate that object-oriented software design principles are not necessarily inimical to high performance.

  11. Aircraft T-tail flutter predictions using computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Attorni, A.; Cavagna, L.; Quaranta, G.

    2011-02-01

    The paper presents the application of computational aeroelasticity (CA) methods to the analysis of a T-tail stability in transonic regime. For this flow condition unsteady aerodynamics show a significant dependency from the aircraft equilibrium flight configuration, which rules both the position of shock waves in the flow field and the load distribution on the horizontal tail plane. Both these elements have an influence on the aerodynamic forces, and so on the aeroelastic stability of the system. The numerical procedure proposed allows to investigate flutter stability for a free-flying aircraft, iterating until convergence the following sequence of sub-problems: search for the trimmed condition for the deformable aircraft; linearize the system about the stated equilibrium point; predict the aeroelastic stability boundaries using the inferred linear model. An innovative approach based on sliding meshes allows to represent the changes of the computational fluid domain due to the motion of control surfaces used to trim the aircraft. To highlight the importance of keeping the linear model always aligned to the trim condition, and at the same time the capabilities of the computational fluid dynamics approach, the method is applied to a real aircraft with a T-tail configuration: the P180.

  12. Computational Fluid Dynamics Framework for Turbine Biological Performance Assessment

    SciTech Connect

    Richmond, Marshall C.; Serkowski, John A.; Carlson, Thomas J.; Ebner, Laurie L.; Sick, Mirjam; Cada, G. F.

    2011-05-04

    In this paper, a method for turbine biological performance assessment is introduced to bridge the gap between field and laboratory studies on fish injury and turbine design. Using this method, a suite of biological performance indicators is computed based on simulated data from a computational fluid dynamics (CFD) model of a proposed turbine design. Each performance indicator is a measure of the probability of exposure to a certain dose of an injury mechanism. If the relationship between the dose of an injury mechanism and frequency of injury (dose-response) is known from laboratory or field studies, the likelihood of fish injury for a turbine design can be computed from the performance indicator. By comparing the values of the indicators from various turbine designs, the engineer can identify the more-promising designs. Discussion here is focused on Kaplan-type turbines, although the method could be extended to other designs. Following the description of the general methodology, we will present sample risk assessment calculations based on CFD data from a model of the John Day Dam on the Columbia River in the USA.

  13. Fluid Dynamics of Competitive Swimming: A Computational Study

    NASA Astrophysics Data System (ADS)

    Mittal, Rajat; Loebbeck, Alfred; Singh, Hersh; Mark, Russell; Wei, Timothy

    2004-11-01

    The dolphin kick is an important component in competitive swimming and is used extensively by swimmers immediately following the starting dive as well as after turns. In this stroke, the swimmer swims about three feet under the water surface and the stroke is executed by performing an undulating wave-like motion of the body that is quite similar to the anguilliform propulsion mode in fish. Despite the relatively simple kinematics of this stoke, considerable variability in style and performance is observed even among Olympic level swimmers. Motivated by this, a joint experimental-numerical study has been initiated to examine the fluid-dynamics of this stroke. The current presentation will describe the computational portion of this study. The computations employ a sharp interface immersed boundary method (IBM) which allows us to simulate flows with complex moving boudnaries on stationary Cartesian grids. 3D body scans of male and female Olympic swimmers have been obtained and these are used in conjuction with high speed videos to recreate a realistic dolphin kick for the IBM solver. Preliminary results from these computations will be presented.

  14. Design, Synthesis, Biochemical Studies, Cellular Characterization, and Structure-Based Computational Studies of Small Molecules Targeting the Urokinase Receptor

    PubMed Central

    Wang, Fang; Knabe, W. Eric; Li, Liwei; Jo, Inha; Mani, Timmy; Roehm, Hartmut; Oh, Kyungsoo; Li, Jing; Khanna, May; Meroueh, Samy O.

    2012-01-01

    The urokinase receptor (uPAR) serves as a docking site to the serine protease urokinase-type plasminogen activator (uPA) to promote extracellular matrix (ECM) degradation and tumor invasion and metastasis. Previously, we had reported a small molecule inhibitor of the uPAR•uPA interaction that emerged from structure-based virtual screening. Here, we measure the affinity of a large number of derivatives from commercial sources. Synthesis of additional compounds was carried out to probe the role of various groups on the parent compound. Extensive structure-based computational studies suggested a binding mode for these compounds that led to a structure-activity relationship study. Cellular studies in non-small cell lung cancer (NSCLC) cell lines that include A549, H460 and H1299 showed that compounds blocked invasion, migration and adhesion. The effects on invasion of active compounds were consistent with their inhibition of uPA and MMP proteolytic activity. These compounds showed weak cytotoxicity consistent with the confined role of uPAR to metastasis. PMID:22771232

  15. Bioleaching of gold, copper and nickel from waste cellular phone PCBs and computer goldfinger motherboards by two Aspergillus nigerstrains.

    PubMed

    Madrigal-Arias, Jorge Enrique; Argumedo-Delira, Rosalba; Alarcón, Alejandro; Mendoza-López, Ma Remedios; García-Barradas, Oscar; Cruz-Sánchez, Jesús Samuel; Ferrera-Cerrato, Ronald; Jiménez-Fernández, Maribel

    2015-01-01

    In an effort to develop alternate techniques to recover metals from waste electrical and electronic equipment (WEEE), this research evaluated the bioleaching efficiency of gold (Au), copper (Cu) and nickel (Ni) by two strains of Aspergillus niger in the presence of gold-plated finger integrated circuits found in computer motherboards (GFICMs) and cellular phone printed circuit boards (PCBs). These three metals were analyzed for their commercial value and their diverse applications in the industry. Au-bioleaching ranged from 42 to 1% for Aspergillus niger strain MXPE6; with the combination of Aspergillus niger MXPE6 + Aspergillus niger MX7, the Au-bioleaching was 87 and 28% for PCBs and GFICMs, respectively. In contrast, the bioleaching of Cu by Aspergillus niger MXPE6 was 24 and 5%; using the combination of both strains, the values were 0.2 and 29% for PCBs and GFICMs, respectively. Fungal Ni-leaching was only found for PCBs, but with no significant differences among treatments. Improvement of the metal recovery efficiency by means of fungal metabolism is also discussed. PMID:26413051

  16. Bioleaching of gold, copper and nickel from waste cellular phone PCBs and computer goldfinger motherboards by two Aspergillus nigerstrains

    PubMed Central

    Madrigal-Arias, Jorge Enrique; Argumedo-Delira, Rosalba; Alarcón, Alejandro; Mendoza-López, Ma. Remedios; García-Barradas, Oscar; Cruz-Sánchez, Jesús Samuel; Ferrera-Cerrato, Ronald; Jiménez-Fernández, Maribel

    2015-01-01

    In an effort to develop alternate techniques to recover metals from waste electrical and electronic equipment (WEEE), this research evaluated the bioleaching efficiency of gold (Au), copper (Cu) and nickel (Ni) by two strains of Aspergillus niger in the presence of gold-plated finger integrated circuits found in computer motherboards (GFICMs) and cellular phone printed circuit boards (PCBs). These three metals were analyzed for their commercial value and their diverse applications in the industry. Au-bioleaching ranged from 42 to 1% for Aspergillus niger strain MXPE6; with the combination of Aspergillus niger MXPE6 + Aspergillus niger MX7, the Au-bioleaching was 87 and 28% for PCBs and GFICMs, respectively. In contrast, the bioleaching of Cu by Aspergillus niger MXPE6 was 24 and 5%; using the combination of both strains, the values were 0.2 and 29% for PCBs and GFICMs, respectively. Fungal Ni-leaching was only found for PCBs, but with no significant differences among treatments. Improvement of the metal recovery efficiency by means of fungal metabolism is also discussed. PMID:26413051

  17. Dynamical and critical behavior of a simple discrete model of the cellular immune system

    NASA Astrophysics Data System (ADS)

    Brass, A.; Bancroft, A. J.; Clamp, M. E.; Grencis, R. K.; Else, K. J.

    1994-08-01

    A simple cellular automata model has been constructed to investigate the interactions between the two T-helper subset cell types (TH1 and TH2) in a lymph node during chronic parasitic infection. The model exhibits behavior similar to a phase transition as a function of the antigenic burden placed on the host. At low antigen density the behavior of the model resembles that of a ``paramagnetic'' phase in which both T-helper cell subset cells can coexist. Above a threshold antigen density then one or other of the TH subset cells becomes dominant and forms a single, connected, infinite cluster (equivalent to a ``ferromagnetic'' phase). Much of the phenomenological behavior of the model is seen to be in good agreement with that observed in animal models of parasitic infection.

  18. The integrin alphav beta3 increases cellular stiffness and cytoskeletal remodeling dynamics to facilitate cancer cell invasion

    NASA Astrophysics Data System (ADS)

    Mierke, Claudia Tanja

    2013-01-01

    The process of cancer cell invasion through the extracellular matrix (ECM) of connective tissue plays a prominent role in tumor progression and is based fundamentally on biomechanics. Cancer cell invasion usually requires cell adhesion to the ECM through the cell-matrix adhesion receptors integrins. The expression of the αvβ3 integrin is increased in several tumor types and is consistently associated with increased metastasis formation in patients. The hypothesis was that the αvβ3 integrin expression increases the invasiveness of cancer cells through increased cellular stiffness, and increased cytoskeletal remodeling dynamics. Here, the invasion of cancer cells with different αvβ3 integrin expression levels into dense three-dimensional (3D) ECMs has been studied. Using a cell sorter, two subcell lines expressing either high or low amounts of αvβ3 integrins (αvβ3high or αvβ3low cells, respectively) have been isolated from parental MDA-MB-231 breast cancer cells. αvβ3high cells showed a threefold increased cell invasion compared to αvβ3low cells. Similar results were obtained for A375 melanoma, 786-O kidney and T24 bladder carcinoma cells, and cells in which the β3 integrin subunit was knocked down using specific siRNA. To investigate whether contractile forces are essential for αvβ3 integrin-mediated increased cellular stiffness and subsequently enhanced cancer cell invasion, invasion assays were performed in the presence of myosin light chain kinase inhibitor ML-7 and Rho kinase inhibitor Y27632. Indeed, cancer cell invasiveness was reduced after addition of ML-7 and Y27632 in αvβ3high cells but not in αvβ3low cells. Moreover, after addition of the contractility enhancer calyculin A, an increase in pre-stress in αvβ3low cells was observed, which enhanced cellular invasiveness. In addition, inhibition of the Src kinase, STAT3 or Rac1 strongly reduced the invasiveness of αvβ3high cells, whereas the invasiveness of β3 specific knock

  19. AGARD Fluid Dynamics Panel Symposium on Applications of Computational Fluid Dynamics in Aeronautics: Proceedings

    NASA Technical Reports Server (NTRS)

    Mccroskey, W. J.

    1986-01-01

    The Fluid Dynamics Panel of AGARD arranged a Symposium on Applications of Computational Fluid Dynamics in Aeronautics, on 7 to 10 April 1986 in Aix-en-Provence, France. The purpose of the Symposium was to provide an assessment of the status of CFD in aerodynamic design and analysis, with an emphasis on emerging applications of advanced computational techniques to complex configurations. Sessions were devoted specifically to grid generation, methods for inviscid flows, calculations of viscous-inviscid interactions, and methods for solving the Navier-Stokes equations. The 31 papers presented at the meeting are published in AGARD Conference Proceedings CP-412 and are listed in the Appendix of this report. A brief synopsis of each paper and some general conclusions and recommendations are given.

  20. Interface dynamics of immiscible two-phase lattice-gas cellular automata: A model with random dynamic scatterers and quenched disorder in two dimensions

    NASA Astrophysics Data System (ADS)

    Azevedo, R. M.; Montenegro-Filho, R. R.; Coutinho-Filho, M. D.

    2013-09-01

    We use a lattice gas cellular automata model in the presence of random dynamic scattering sites and quenched disorder in the two-phase immiscible model with the aim of producing an interface dynamics similar to that observed in Hele-Shaw cells. The dynamics of the interface is studied as one fluid displaces the other in a clean lattice and in a lattice with quenched disorder. For the clean system, if the fluid with a lower viscosity displaces the other, we show that the model exhibits the Saffman-Taylor instability phenomenon, whose features are in very good agreement with those observed in real (viscous) fluids. In the system with quenched disorder, we obtain estimates for the growth and roughening exponents of the interface width in two cases: viscosity-matched fluids and the case of unstable interface. The first case is shown to be in the same universality class of the random deposition model with surface relaxation. Moreover, while the early-time dynamics of the interface behaves similarly, viscous fingers develop in the second case with the subsequent production of bubbles in the context of a complex dynamics. We also identify the Hurst exponent of the subdiffusive fractional Brownian motion associated with the interface, from which we derive its fractal dimension and the universality classes related to a percolation process.

  1. The dynamic and geometric phase transition in the cellular network of pancreatic islet

    NASA Astrophysics Data System (ADS)

    Wang, Xujing

    2013-03-01

    The pancreatic islet is a micro-organ that contains several thousands of endocrine cells, majority of which being the insulin releasing β - cells . - cellsareexcitablecells , andarecoupledtoeachother through gap junctional channels. Here, using percolation theory, we investigate the role of network structure in determining the dynamics of the β-cell network. We show that the β-cell synchronization depends on network connectivity. More specifically, as the site occupancy is reducing, initially the β-cell synchronization is barely affected, until it reaches around a critical value, where the synchronization exhibit a sudden rapid decline, followed by an slow exponential tail. This critical value coincides with the critical site open probability for percolation transition. The dependence over bond strength is similar, exhibiting critical-behavior like dependence around a certain value of bond strength. These results suggest that the β-cell network undergoes a dynamic phase transition when the network is percolated. We further apply the findings to study diabetes. During the development of diabetes, the β - cellnetworkconnectivitydecreases . Siteoccupancyreducesfromthe reducing β-cell mass, and the bond strength is increasingly impaired from β-cell stress and chronic hyperglycemia. We demonstrate that the network dynamics around the percolation transition explain the disease dynamics around onset, including a long time mystery in diabetes, the honeymoon phenomenon.

  2. Computational fluid dynamics modeling for emergency preparedness and response

    SciTech Connect

    Lee, R.L.; Albritton, J.R.; Ermak, D.L.; Kim, J.

    1995-02-01

    Computational fluid dynamics (CFD) has (CFD) has played an increasing in the improvement of atmospheric dispersion modeling. This is because many dispersion models are now driven by meteorological fields generated from CFD models or, in numerical weather prediction`s terminology, prognostic models. Whereas most dispersion models typically involve one or a few scalar, uncoupled equations, the prognostic equations are a set of highly-couple equations whose solution requires a significant level of computational power. Recent advances in computer hardware and software have enabled modestly-priced, high performance, workstations to exhibit the equivalent computation power of some mainframes. Thus desktop-class machines that were limited to performing dispersion calculations driven by diagnostic wind fields may now be used to calculate complex flows using prognostic CFD models. The Release and Advisory Capability (ARAC) program at Lawrence Livermore National Laboratory (LLNL) has, for the past several years, taken advantage of the improvements in hardware technology to develop a national emergency response capability based on executing diagnostic models on workstations. Diagnostic models that provide wind fields are, in general, simple to implement, robust and require minimal time for execution. Because these models typically contain little physics beyond mass-conservation, their performance is extremely sensitive to the quantity and quality of input meteorological data and, in spite of their utility, can be applied with confidence to only modestly complex flows. We are now embarking on a development program to incorporate prognostic models to generate, in real-time, the meteorological fields for the dispersion models. In contrast to diagnostic models, prognostic models are physically-based and are capable of incorporating many physical processes to treat highly complex flow scenarios.

  3. Secure Dynamic access control scheme of PHR in cloud computing.

    PubMed

    Chen, Tzer-Shyong; Liu, Chia-Hui; Chen, Tzer-Long; Chen, Chin-Sheng; Bau, Jian-Guo; Lin, Tzu-Ching

    2012-12-01

    With the development of information technology and medical technology, medical information has been developed from traditional paper records into electronic medical records, which have now been widely applied. The new-style medical information exchange system "personal health records (PHR)" is gradually developed. PHR is a kind of health records maintained and recorded by individuals. An ideal personal health record could integrate personal medical information from different sources and provide complete and correct personal health and medical summary through the Internet or portable media under the requirements of security and privacy. A lot of personal health records are being utilized. The patient-centered PHR information exchange system allows the public autonomously maintain and manage personal health records. Such management is convenient for storing, accessing, and sharing personal medical records. With the emergence of Cloud computing, PHR service has been transferred to storing data into Cloud servers that the resources could be flexibly utilized and the operation cost can be reduced. Nevertheless, patients would face privacy problem when storing PHR data into Cloud. Besides, it requires a secure protection scheme to encrypt the medical records of each patient for storing PHR into Cloud server. In the encryption process, it would be a challenge to achieve accurately accessing to medical records and corresponding to flexibility and efficiency. A new PHR access control scheme under Cloud computing environments is proposed in this study. With Lagrange interpolation polynomial to establish a secure and effective PHR information access scheme, it allows to accurately access to PHR with security and is suitable for enormous multi-users. Moreover, this scheme also dynamically supports multi-users in Cloud computing environments with personal privacy and offers legal authorities to access to PHR. From security and effectiveness analyses, the proposed PHR access

  4. FPGA-based distributed computing microarchitecture for complex physical dynamics investigation.

    PubMed

    Borgese, Gianluca; Pace, Calogero; Pantano, Pietro; Bilotta, Eleonora

    2013-09-01

    In this paper, we present a distributed computing system, called DCMARK, aimed at solving partial differential equations at the basis of many investigation fields, such as solid state physics, nuclear physics, and plasma physics. This distributed architecture is based on the cellular neural network paradigm, which allows us to divide the differential equation system solving into many parallel integration operations to be executed by a custom multiprocessor system. We push the number of processors to the limit of one processor for each equation. In order to test the present idea, we choose to implement DCMARK on a single FPGA, designing the single processor in order to minimize its hardware requirements and to obtain a large number of easily interconnected processors. This approach is particularly suited to study the properties of 1-, 2- and 3-D locally interconnected dynamical systems. In order to test the computing platform, we implement a 200 cells, Korteweg-de Vries (KdV) equation solver and perform a comparison between simulations conducted on a high performance PC and on our system. Since our distributed architecture takes a constant computing time to solve the equation system, independently of the number of dynamical elements (cells) of the CNN array, it allows us to reduce the elaboration time more than other similar systems in the literature. To ensure a high level of reconfigurability, we design a compact system on programmable chip managed by a softcore processor, which controls the fast data/control communication between our system and a PC Host. An intuitively graphical user interface allows us to change the calculation parameters and plot the results. PMID:24808576

  5. Computational and theoretical aspects of biomolecular structure and dynamics

    SciTech Connect

    Garcia, A.E.; Berendzen, J.; Catasti, P., Chen, X.

    1996-09-01

    This is the final report for a project that sought to evaluate and develop theoretical, and computational bases for designing, performing, and analyzing experimental studies in structural biology. Simulations of large biomolecular systems in solution, hydrophobic interactions, and quantum chemical calculations for large systems have been performed. We have developed a code that implements the Fast Multipole Algorithm (FMA) that scales linearly in the number of particles simulated in a large system. New methods have been developed for the analysis of multidimensional NMR data in order to obtain high resolution atomic structures. These methods have been applied to the study of DNA sequences in the human centromere, sequences linked to genetic diseases, and the dynamics and structure of myoglobin.

  6. Mapping flow distortion on oceanographic platforms using computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    O'Sullivan, N.; Landwehr, S.; Ward, B.

    2013-10-01

    Wind speed measurements over the ocean on ships or buoys are affected by flow distortion from the platform and by the anemometer itself. This can lead to errors in direct measurements and the derived parametrisations. Here we computational fluid dynamics (CFD) to simulate the errors in wind speed measurements caused by flow distortion on the RV Celtic Explorer. Numerical measurements were obtained from the finite-volume CFD code OpenFOAM, which was used to simulate the velocity fields. This was done over a range of orientations in the test domain from -60 to +60° in increments of 10°. The simulation was also set up for a range of velocities, ranging from 5 to 25 m s-1 in increments of 0.5 m s-1. The numerical analysis showed close agreement to experimental measurements.

  7. Computational fluid dynamics at NASA Ames Research Center

    NASA Technical Reports Server (NTRS)

    Kutler, Paul

    1989-01-01

    Computational fluid dynamics (CFD) has made great strides in the detailed simulation of complex fluid flows, including the fluid physics of flows heretofore not understood. It is now being routinely applied to some rather complicated problems, and starting to impact the design cycle of aerospace flight vehicles and their components. In addition, it is being used to complement, and is being complemented by, experimental studies. In the present paper, some major elements of contemporary CFD research, such as code validation, turbulence physics, and hypersonic flows are discussed, along with a review of the principal pacing items that currently govern CFD. Several examples of pioneering CFD research are presented to illustrate the current state of the art. Finally, prospects for the future development and application of CFD are suggested.

  8. Progress and future directions in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Kutler, Paul; Gross, Anthony R.

    1988-01-01

    Computational fluid dynamics (CFD) has made great strides in the detailed simulation of complex fluid flows, including the fluid physics of flows heretofore not understood. It is now being routinely applied to some rather complicated problems, and starting to impact the design cycle of aerospace vehicles and their components. In addition, it is being used to complement and is being complemented by experimental studies. In this paper some major elements of contemporary CFD research, such as code validation, turbulence physics, and hypersonic flows are discussed, along with a review of the principal pacing items that currently govern CFD. Several examples are presented to illustrate the current state of the art. Finally, prospects for the future of the development and application of CFD are suggested.

  9. Simulation of Tailrace Hydrodynamics Using Computational Fluid Dynamics Models

    SciTech Connect

    Cook, Christopher B.; Richmond, Marshall C.

    2001-05-01

    This report investigates the feasibility of using computational fluid dynamics (CFD) tools to investigate hydrodynamic flow fields surrounding the tailrace zone below large hydraulic structures. Previous and ongoing studies using CFD tools to simulate gradually varied flow with multiple constituents and forebay/intake hydrodynamics have shown that CFD tools can provide valuable information for hydraulic and biological evaluation of fish passage near hydraulic structures. These studies however are incapable of simulating the rapidly varying flow fields that involving breakup of the free-surface, such as those through and below high flow outfalls and spillways. Although the use of CFD tools for these types of flow are still an active area of research, initial applications discussed in this report show that these tools are capable of simulating the primary features of these highly transient flow fields.

  10. Lightweight computational steering of very large scale molecular dynamics simulations

    SciTech Connect

    Beazley, D.M.; Lomdahl, P.S.

    1996-09-01

    We present a computational steering approach for controlling, analyzing, and visualizing very large scale molecular dynamics simulations involving tens to hundreds of millions of atoms. Our approach relies on extensible scripting languages and an easy to use tool for building extensions and modules. The system is extremely easy to modify, works with existing C code, is memory efficient, and can be used from inexpensive workstations and networks. We demonstrate how we have used this system to manipulate data from production MD simulations involving as many as 104 million atoms running on the CM-5 and Cray T3D. We also show how this approach can be used to build systems that integrate common scripting languages (including Tcl/Tk, Perl, and Python), simulation code, user extensions, and commercial data analysis packages.

  11. Wind tunnel requirements for computational fluid dynamics code verification

    NASA Technical Reports Server (NTRS)

    Marvin, Joseph G.

    1987-01-01

    The role of experiment in the development of Computational Fluid Dynamics (CFD) for aerodynamic flow field prediction is discussed. Requirements for code verification from two sources that pace the development of CFD are described for: (1) development of adequate flow modeling, and (2) establishment of confidence in the use of CFD to predict complex flows. The types of data needed and their accuracy differs in detail and scope and leads to definite wind tunnel requirements. Examples of testing to assess and develop turbulence models, and to verify code development, are used to establish future wind tunnel testing requirements. Versatility, appropriate scale and speed range, accessibility for nonintrusive instrumentation, computerized data systems, and dedicated use for verification were among the more important requirements identified.

  12. Computational fluid dynamics for the CFBR : challenges that lie ahead /

    SciTech Connect

    Kashiwa, B. A.; Yang, Wen-ching,

    2001-01-01

    The potential of Computational Fluid Dynamics as a tool for design and analysis of the Circulating Fluidized Bed Reactor is considered. The ruminations are largely philosophical in nature, and are based mainly on experience. An assessment of where CFD may, or may not, be a helpful tool for developing the needed understanding, is furnished. To motivate this assessment, a clarification of what composes a CFD analysis is provided. Status of CFD usage in CFBR problems is summarized briefly. Some successes and failures of CFD in CFBR analysis are also discussed; this suggests a practical way to proceed toward the goal of adding CFD as a useful tool, to be used in combination with well-defined experiments, for CFBR needs. The conclusion is that there remains substantial hope that CFD could be very useful in this application. In order to make the hope a reality, nontrivial, and achievable, advances in multiphase flow theory must be made.

  13. Modern wing flutter analysis by computational fluid dynamics methods

    NASA Technical Reports Server (NTRS)

    Cunningham, Herbert J.; Batina, John T.; Bennett, Robert M.

    1988-01-01

    The application and assessment of the recently developed CAP-TSD transonic small-disturbance code for flutter prediction is described. The CAP-TSD code has been developed for aeroelastic analysis of complete aircraft configurations and was previously applied to the calculation of steady and unsteady pressures with favorable results. Generalized aerodynamic forces and flutter characteristics are calculated and compared with linear theory results and with experimental data for a 45 deg sweptback wing. These results are in good agreement with the experimental flutter data which is the first step toward validating CAP-TSD for general transonic aeroelastic applications. The paper presents these results and comparisons along with general remarks regarding modern wing flutter analysis by computational fluid dynamics methods.

  14. FAST - A multiprocessed environment for visualization of computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Bancroft, Gordon V.; Merritt, Fergus J.; Plessel, Todd C.; Kelaita, Paul G.; Mccabe, R. Kevin

    1991-01-01

    The paper presents the Flow Analysis Software Toolset (FAST) to be used for fluid-mechanics analysis. The design criteria for FAST including the minimization of the data path in the computational fluid-dynamics (CFD) process, consistent user interface, extensible software architecture, modularization, and the isolation of three-dimensional tasks from the application programmer are outlined. Each separate process communicates through the FAST Hub, while other modules such as FAST Central, NAS file input, CFD calculator, surface extractor and renderer, titler, tracer, and isolev might work together to generate the scene. An interprocess communication package making it possible for FAST to operate as a modular environment where resources could be shared among different machines as well as a single host is discussed.

  15. Knowledge-based zonal grid generation for computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Andrews, Alison E.

    1988-01-01

    Automation of flow field zoning in two dimensions is an important step towards reducing the difficulty of three-dimensional grid generation in computational fluid dynamics. Using a knowledge-based approach makes sense, but problems arise which are caused by aspects of zoning involving perception, lack of expert consensus, and design processes. These obstacles are overcome by means of a simple shape and configuration language, a tunable zoning archetype, and a method of assembling plans from selected, predefined subplans. A demonstration system for knowledge-based two-dimensional flow field zoning has been successfully implemented and tested on representative aerodynamic configurations. The results show that this approach can produce flow field zonings that are acceptable to experts with differing evaluation criteria.

  16. Helicopter fuselage drag - combined computational fluid dynamics and experimental studies

    NASA Astrophysics Data System (ADS)

    Batrakov, A.; Kusyumov, A.; Mikhailov, S.; Pakhov, V.; Sungatullin, A.; Valeev, M.; Zherekhov, V.; Barakos, G.

    2015-06-01

    In this paper, wind tunnel experiments are combined with Computational Fluid Dynamics (CFD) aiming to analyze the aerodynamics of realistic fuselage configurations. A development model of the ANSAT aircraft and an early model of the AKTAI light helicopter were employed. Both models were tested at the subsonic wind tunnel of KNRTU-KAI for a range of Reynolds numbers and pitch and yaw angles. The force balance measurements were complemented by particle image velocimetry (PIV) investigations for the cases where the experimental force measurements showed substantial unsteadiness. The CFD results were found to be in fair agreement with the test data and revealed some flow separation at the rear of the fuselages. Once confidence on the CFD method was established, further modifications were introduced to the ANSAT-like fuselage model to demonstrate drag reduction via small shape changes.

  17. Computational Fluid Dynamics (CFD) simulation of the Madison Dynamo Experiment.

    NASA Astrophysics Data System (ADS)

    Haehn, N. S.; Forest, C. B.; Weber, C. R.; Kendrick, R. D.; Taylor, N. Z.; Oakley, J. G.; Bonazza, R.; Spence, Erik

    2007-11-01

    The Madison Dynamo Experiment is designed to study a self-generated magnetic field called a dynamo. The flow characteristics of a water experiment that is dimensionally similar to the liquid sodium experiment has been modeled using the Computational Fluid Dynamics (CFD) software Fluent. Results from the CFD simulations are used to confirm flow characteristics measured experimentally by both Laser Doppler Velocimetry (LDV) and Particle Imaging Velocimetry (PIV). Simulations can also give insight into the flow characteristics in regions of the experiment which are not accessible via the LDV and PIV systems. The results from the simulations are also used as input for a MHD code to predict the threshold for Dynamo onset. The CFD simulations -- in conjunction with the MHD dynamo prediction code -- can be used to design modifications to the experiment to minimize costly changes. The CFD code has shown that the addition of an equatorial baffle along with several poloidal baffles can lower the threshold for Dynamo onset.

  18. Computational Methods for Structural Mechanics and Dynamics, part 1

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

    The structural analysis methods research has several goals. One goal is to develop analysis methods that are general. This goal of generality leads naturally to finite-element methods, but the research will also include other structural analysis methods. Another goal is that the methods be amenable to error analysis; that is, given a physical problem and a mathematical model of that problem, an analyst would like to know the probable error in predicting a given response quantity. The ultimate objective is to specify the error tolerances and to use automated logic to adjust the mathematical model or solution strategy to obtain that accuracy. A third goal is to develop structural analysis methods that can exploit parallel processing computers. The structural analysis methods research will focus initially on three types of problems: local/global nonlinear stress analysis, nonlinear transient dynamics, and tire modeling.

  19. A generalized software executive for multidisciplinary computational structural dynamics

    NASA Technical Reports Server (NTRS)

    Berman, Alex

    1989-01-01

    The objective of this presentation is to introduce the attendees to the DYSCO program. The emphasis will be on the features which make it multidisciplinary. DYSCO is a very general and versatile software program which couples and solves dynamic systems. It was initiated in the late 1970's in response to a helicopter analysis requirement. The system development, however, resulted in an executive which was completely separated from any particular area of technology, except that of second order ordinary differential equations. During the course of its development, it was funded by the Army Aviation Applied Technology Directorate, the Air Force Wright Aeronautical Laboratories, and by the Kaman Aerospace Corporation. It is completely written in FORTRAN and is operational on IBM and VAX computers.

  20. Dynamical Allocation of Cellular Resources as an Optimal Control Problem: Novel Insights into Microbial Growth Strategies

    PubMed Central

    Giordano, Nils; Mairet, Francis; Gouzé, Jean-Luc

    2016-01-01

    Microbial physiology exhibits growth laws that relate the macromolecular composition of the cell to the growth rate. Recent work has shown that these empirical regularities can be derived from coarse-grained models of resource allocation. While these studies focus on steady-state growth, such conditions are rarely found in natural habitats, where microorganisms are continually challenged by environmental fluctuations. The aim of this paper is to extend the study of microbial growth strategies to dynamical environments, using a self-replicator model. We formulate dynamical growth maximization as an optimal control problem that can be solved using Pontryagin’s Maximum Principle. We compare this theoretical gold standard with different possible implementations of growth control in bacterial cells. We find that simple control strategies enabling growth-rate maximization at steady state are suboptimal for transitions from one growth regime to another, for example when shifting bacterial cells to a medium supporting a higher growth rate. A near-optimal control strategy in dynamical conditions is shown to require information on several, rather than a single physiological variable. Interestingly, this strategy has structural analogies with the regulation of ribosomal protein synthesis by ppGpp in the enterobacterium Escherichia coli. It involves sensing a mismatch between precursor and ribosome concentrations, as well as the adjustment of ribosome synthesis in a switch-like manner. Our results show how the capability of regulatory systems to integrate information about several physiological variables is critical for optimizing growth in a changing environment. PMID:26958858

  1. VolRoverN: Enhancing surface and volumetric reconstruction for realistic dynamical simulation of cellular and subcellular function

    PubMed Central

    Edwards, John; Daniel, Eric; Kinney, Justin; Bartol, Tom; Sejnowski, Terrence; Johnston, Daniel; Harris, Kristen; Bajaj, Chandrajit

    2014-01-01

    Establishing meaningful relationships between cellular structure and function requires accurate morphological reconstructions. In particular, there is an unmet need for high quality surface reconstructions to model subcellular and synaptic interactions among neurons at nanometer resolution. We address this need with VolRoverN, a software package that produces accurate, efficient, and automated 3D surface reconstructions from stacked 2D contour tracings. While many techniques and tools have been developed in the past for 3D visualization of cellular structure, the reconstructions from VolRoverN meet specific quality criteria that are important for dynamical simulations. These criteria include manifoldness, water-tightness, lack of self- and object-object-intersections, and geometric accuracy. These enhanced surface reconstructions are readily extensible to any cell type (including glia) and are used here on complex spiny dendrites and axons from mature rat hippocampal area CA1. Both spatially realistic surface reconstructions and reduced skeletonizations are produced and formatted by VolRoverN for easy input into analysis software packages for neurophysiological simulations at multiple spatial and temporal scales ranging from ion electro-diffusion to electrical cable models. PMID:24100964

  2. Flexing computational muscle: modeling and simulation of musculotendon dynamics.

    PubMed

    Millard, Matthew; Uchida, Thomas; Seth, Ajay; Delp, Scott L

    2013-02-01

    Muscle-driven simulations of human and animal motion are widely used to complement physical experiments for studying movement dynamics. Musculotendon models are an essential component of muscle-driven simulations, yet neither the computational speed nor the biological accuracy of the simulated forces has been adequately evaluated. Here we compare the speed and accuracy of three musculotendon models: two with an elastic tendon (an equilibrium model and a damped equilibrium model) and one with a rigid tendon. Our simulation benchmarks demonstrate that the equilibrium and damped equilibrium models produce similar force profiles but have different computational speeds. At low activation, the damped equilibrium model is 29 times faster than the equilibrium model when using an explicit integrator and 3 times faster when using an implicit integrator; at high activation, the two models have similar simulation speeds. In the special case of simulating a muscle with a short tendon, the rigid-tendon model produces forces that match those generated by the elastic-tendon models, but simulates 2-54 times faster when an explicit integrator is used and 6-31 times faster when an implicit integrator is used. The equilibrium, damped equilibrium, and rigid-tendon models reproduce forces generated by maximally-activated biological muscle with mean absolute errors less than 8.9%, 8.9%, and 20.9% of the maximum isometric muscle force, respectively. When compared to forces generated by submaximally-activated biological muscle, the forces produced by the equilibrium, damped equilibrium, and rigid-tendon models have mean absolute errors less than 16.2%, 16.4%, and 18.5%, respectively. To encourage further development of musculotendon models, we provide implementations of each of these models in OpenSim version 3.1 and benchmark data online, enabling others to reproduce our results and test their models of musculotendon dynamics. PMID:23445050

  3. Dynamic cellular and molecular modulations of diabetes mediated head and neck carcinogenesis

    PubMed Central

    Chen, Chang-Yi; Sun, Fang-Ju; Cheng, Hui-Wen; Chen, Tsai-Ying; Lin, Shu-Chun; Li, Wan-Chun

    2015-01-01

    Head and neck squamous cell carcinoma (HNSCC) is one of the most prevalent neoplasms worldwide. While numerous potent dietary insults were considered as oncogenic players for HNSCC development, the impact of metabolic imbalance was less emphasized during HNSCC carcinogenesis. Previous preclinical and epidemiological investigations showed that DM could possibly be correlated with greater incidence and poorer prognosis in HNSCC patients; however, the outcomes from different groups are contradictive and underlying mechanisms remains elusive. In the present study, the changes of cellular malignancy in response to prolonged glucose incubation in HNSCC cells were examined. The results demonstrated that hyperglycemia enhanced HNSCC cell malignancy over time through suppression of cell differentiation, promotion of cell motility, increased resistance to cisplatin, and up-regulation of the nutrient-sensing Akt/AMPK-mTORC1 pathway. Further analysis showed that a more aggressive tongue neoplastic progression was found under DM conditions compared to non-DM state whereas DM pathology led to a higher percentage of cervical lymph node metastasis and poorer prognosis in HNSCC patients. Taken together, the present study confirms that hyperglycemia and DM could enhance HNSCC malignancy and the outcomes are of great benefit in providing better anti-cancer treatment strategy for DM patients with HNSCC. PMID:26337468

  4. ECM signaling regulates collective cellular dynamics to control pancreas branching morphogenesis

    PubMed Central

    Shih, Hung Ping; Panlasigui, Devin; Cirulli, Vincenzo; Sander, Maike

    2015-01-01

    Summary During pancreas development, epithelial buds undergo branching morphogenesis to form an exocrine and endocrine gland. Proper morphogenesis is necessary for correct lineage allocation of pancreatic progenitors; however, the cellular events underlying pancreas morphogenesis are unknown. Here, we employed time-lapse microscopy and fluorescent labeling of cells to analyze cell behaviors associated with pancreas morphogenesis. We observed that outer bud cells adjacent to the basement membrane are pleomorphic and rearrange frequently; as well, they largely remain in the outer cell compartment even after mitosis. These cell behaviors and pancreas branching depend on cell contacts with the basement membrane, which induce actomyosin cytoskeleton remodeling via integrin-mediated activation of FAK/Src signaling. We show that integrin signaling reduces E-cadherin-mediated cell-cell adhesion in outer cells, and provide genetic evidence that this regulation is necessary for initiation of branching. Our study suggests that regulation of cell motility and adhesion by local niche cues initiates pancreas branching morphogenesis. PMID:26748698

  5. Reduction of dynamical biochemical reactions networks in computational biology

    PubMed Central

    Radulescu, O.; Gorban, A. N.; Zinovyev, A.; Noel, V.

    2012-01-01

    Biochemical networks are used in computational biology, to model mechanistic details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as combinatorial explosion are strong obstacles against analyzing the dynamics of large models of this type. Multiscaleness, an important property of these networks, can be used to get past some of these obstacles. Networks with many well separated time scales, can be reduced to simpler models, in a way that depends only on the orders of magnitude and not on the exact values of the kinetic parameters. The main idea used for such robust simplifications of networks is the concept of dominance among model elements, allowing hierarchical organization of these elements according to their effects on the network dynamics. This concept finds a natural formulation in tropical geometry. We revisit, in the light of these new ideas, the main approaches to model reduction of reaction networks, such as quasi-steady state (QSS) and quasi-equilibrium approximations (QE), and provide practical recipes for model reduction of linear and non-linear networks. We also discuss the application of model reduction to the problem of parameter identification, via backward pruning machine learning techniques. PMID:22833754

  6. Parellel beam dynamics calculations on high performance computers

    SciTech Connect

    Ryne, R.; Habib, S.

    1996-12-01

    Faced with a backlog of nuclear waste and weapons plutonium, as well as an ever-increasing public concern about safety and environmental issues associated with conventional nuclear reactors, many countries are studying new, accelerator-driven technologies that hold the promise of providing safe and effective solutions to these problems. Proposed projects include accelerator transmutation of waste (ATW), accelerator-based conversion of plutonium (ABC), accelerator-driven energy production (ADEP), and accelerator production of tritium (APT). Also, next-generation spallation neutron sources based on similar technology will play a major role in materials science and biological science research. The design of accelerators for these projects will require a major advance in numerical modeling capability. For example, beam dynamics simulations with approximately 100 million particles will be needed to ensure that extremely stringent beam loss requirements (less than a nanoampere per meter) can be met. Compared with typical present-day modeling using 10,000-100,000 particles, this represents an increase of 3-4 orders of magnitude. High performance computing (HPC) platforms make it possible to perform such large scale simulations, which require 10`s of GBytes of memory. They also make it possible to perform smaller simulations in a matter of hours that would require months to run on a single processor workstation. This paper will describe how HPC platforms can be used to perform the numerically intensive beam dynamics simulations required for development of these new accelerator-driven technologies.

  7. Constructing Scientific Arguments Using Evidence from Dynamic Computational Climate Models

    NASA Astrophysics Data System (ADS)

    Pallant, Amy; Lee, Hee-Sun

    2015-04-01

    Modeling and argumentation are two important scientific practices students need to develop throughout school years. In this paper, we investigated how middle and high school students ( N = 512) construct a scientific argument based on evidence from computational models with which they simulated climate change. We designed scientific argumentation tasks with three increasingly complex dynamic climate models. Each scientific argumentation task consisted of four parts: multiple-choice claim, openended explanation, five-point Likert scale uncertainty rating, and open-ended uncertainty rationale. We coded 1,294 scientific arguments in terms of a claim's consistency with current scientific consensus, whether explanations were model based or knowledge based and categorized the sources of uncertainty (personal vs. scientific). We used chi-square and ANOVA tests to identify significant patterns. Results indicate that (1) a majority of students incorporated models as evidence to support their claims, (2) most students used model output results shown on graphs to confirm their claim rather than to explain simulated molecular processes, (3) students' dependence on model results and their uncertainty rating diminished as the dynamic climate models became more and more complex, (4) some students' misconceptions interfered with observing and interpreting model results or simulated processes, and (5) students' uncertainty sources reflected more frequently on their assessment of personal knowledge or abilities related to the tasks than on their critical examination of scientific evidence resulting from models. These findings have implications for teaching and research related to the integration of scientific argumentation and modeling practices to address complex Earth systems.

  8. Parallel beam dynamics calculations on high performance computers

    NASA Astrophysics Data System (ADS)

    Ryne, Robert; Habib, Salman

    1997-02-01

    Faced with a backlog of nuclear waste and weapons plutonium, as well as an ever-increasing public concern about safety and environmental issues associated with conventional nuclear reactors, many countries are studying new, accelerator-driven technologies that hold the promise of providing safe and effective solutions to these problems. Proposed projects include accelerator transmutation of waste (ATW), accelerator-based conversion of plutonium (ABC), accelerator-driven energy production (ADEP), and accelerator production of tritium (APT). Also, next-generation spallation neutron sources based on similar technology will play a major role in materials science and biological science research. The design of accelerators for these projects will require a major advance in numerical modeling capability. For example, beam dynamics simulations with approximately 100 million particles will be needed to ensure that extremely stringent beam loss requirements (less than a nanoampere per meter) can be met. Compared with typical present-day modeling using 10,000-100,000 particles, this represents an increase of 3-4 orders of magnitude. High performance computing (HPC) platforms make it possible to perform such large scale simulations, which require 10's of GBytes of memory. They also make it possible to perform smaller simulations in a matter of hours that would require months to run on a single processor workstation. This paper will describe how HPC platforms can be used to perform the numerically intensive beam dynamics simulations required for development of these new accelerator-driven technologies.

  9. The aerospace plane design challenge: Credible computational fluid dynamics results

    NASA Technical Reports Server (NTRS)

    Mehta, Unmeel B.

    1990-01-01

    Computational fluid dynamics (CFD) is necessary in the design processes of all current aerospace plane programs. Single-stage-to-orbit (STTO) aerospace planes with air-breathing supersonic combustion are going to be largely designed by means of CFD. The challenge of the aerospace plane design is to provide credible CFD results to work from, to assess the risk associated with the use of those results, and to certify CFD codes that produce credible results. To establish the credibility of CFD results used in design, the following topics are discussed: CFD validation vis-a-vis measurable fluid dynamics (MFD) validation; responsibility for credibility; credibility requirement; and a guide for establishing credibility. Quantification of CFD uncertainties helps to assess success risk and safety risks, and the development of CFD as a design tool requires code certification. This challenge is managed by designing the designers to use CFD effectively, by ensuring quality control, and by balancing the design process. For designing the designers, the following topics are discussed: how CFD design technology is developed; the reasons Japanese companies, by and large, produce goods of higher quality than the U.S. counterparts; teamwork as a new way of doing business; and how ideas, quality, and teaming can be brought together. Quality control for reducing the loss imparted to the society begins with the quality of the CFD results used in the design process, and balancing the design process means using a judicious balance of CFD and MFD.

  10. Efficient Parallel Kernel Solvers for Computational Fluid Dynamics Applications

    NASA Technical Reports Server (NTRS)

    Sun, Xian-He

    1997-01-01

    Distributed-memory parallel computers dominate today's parallel computing arena. These machines, such as Intel Paragon, IBM SP2, and Cray Origin2OO, have successfully delivered high performance computing power for solving some of the so-called "grand-challenge" problems. Despite initial success, parallel machines have not been widely accepted in production engineering environments due to the complexity of parallel programming. On a parallel computing system, a task has to be partitioned and distributed appropriately among processors to reduce communication cost and to attain load balance. More importantly, even with careful partitioning and mapping, the performance of an algorithm may still be unsatisfactory, since conventional sequential algorithms may be serial in nature and may not be implemented efficiently on parallel machines. In many cases, new algorithms have to be introduced to increase parallel performance. In order to achieve optimal performance, in addition to partitioning and mapping, a careful performance study should be conducted for a given application to find a good algorithm-machine combination. This process, however, is usually painful and elusive. The goal of this project is to design and develop efficient parallel algorithms for highly accurate Computational Fluid Dynamics (CFD) simulations and other engineering applications. The work plan is 1) developing highly accurate parallel numerical algorithms, 2) conduct preliminary testing to verify the effectiveness and potential of these algorithms, 3) incorporate newly developed algorithms into actual simulation packages. The work plan has well achieved. Two highly accurate, efficient Poisson solvers have been developed and tested based on two different approaches: (1) Adopting a mathematical geometry which has a better capacity to describe the fluid, (2) Using compact scheme to gain high order accuracy in numerical discretization. The previously developed Parallel Diagonal Dominant (PDD) algorithm

  11. Study of cellular dynamics on polarized CoCrMo alloy using time-lapse live-cell imaging.

    PubMed

    Haeri, Morteza; Gilbert, Jeremy L

    2013-11-01

    The physico-chemical processes and phenomena occurring at the interface of metallic biomedical implants and the body dictate their successful integration in vivo. Changes in the surface potential and the associated redox reactions at metallic implants can significantly influence several aspects of biomaterial/cell interactions such as cell adhesion and survival in vitro. Accordingly, there is a voltage viability range (voltages which do not compromise cellular viability of the cells cultured on the polarized metal) for metallic implants. We report on cellular dynamics (size, polarity, movement) and temporal changes in the number and total area of focal adhesion complexes in transiently transfected MC3T3-E1 pre-osteoblasts cultured on CoCrMo alloy surfaces polarized at the cathodic and anodic edges of its voltage viability range (-400 and +500 mV (Ag/AgCl), respectively). Nucleus dynamics (size, circularity, movement) and the release of reactive oxygen species (ROS) were also studied on the polarized metal at -1000, -400 and +500 mV (Ag/AgCl). Our results show that at -400 mV, where reduction reactions dominate, a gradual loss of adhesion occurs over 24 h while cells shrink in size during this time. At +500 mV, where oxidation reactions dominate (i.e. metal ions form, including Cr6+), cells become non-viable after 5h without showing any significant changes in adhesion behavior right before cell death. Nucleus size of cells at -1000 mV decreased sharply within 15 min after polarization, which rendered the cells completely non-viable. No significant amount of ROS release by cells was detected on the polarized CoCrMo at any of these voltages. PMID:23831720

  12. Benchmarking computational fluid dynamics models for lava flow simulation

    NASA Astrophysics Data System (ADS)

    Dietterich, Hannah; Lev, Einat; Chen, Jiangzhi

    2016-04-01

    Numerical simulations of lava flow emplacement are valuable for assessing lava flow hazards, forecasting active flows, interpreting past eruptions, and understanding the controls on lava flow behavior. Existing lava flow models vary in simplifying assumptions, physics, dimensionality, and the degree to which they have been validated against analytical solutions, experiments, and natural observations. In order to assess existing models and guide the development of new codes, we conduct a benchmarking study of computational fluid dynamics models for lava flow emplacement, including VolcFlow, OpenFOAM, FLOW-3D, and COMSOL. Using the new benchmark scenarios defined in Cordonnier et al. (Geol Soc SP, 2015) as a guide, we model viscous, cooling, and solidifying flows over horizontal and sloping surfaces, topographic obstacles, and digital elevation models of natural topography. We compare model results to analytical theory, analogue and molten basalt experiments, and measurements from natural lava flows. Overall, the models accurately simulate viscous flow with some variability in flow thickness where flows intersect obstacles. OpenFOAM, COMSOL, and FLOW-3D can each reproduce experimental measurements of cooling viscous flows, and FLOW-3D simulations with temperature-dependent rheology match results from molten basalt experiments. We can apply these models to reconstruct past lava flows in Hawai'i and Saudi Arabia using parameters assembled from morphology, textural analysis, and eruption observations as natural test cases. Our study highlights the strengths and weaknesses of each code, including accuracy and computational costs, and provides insights regarding code selection.

  13. Dynamic modeling of Tampa Bay urban development using parallel computing

    USGS Publications Warehouse

    Xian, G.; Crane, M.; Steinwand, D.

    2005-01-01

    Urban land use and land cover has changed significantly in the environs of Tampa Bay, Florida, over the past 50 years. Extensive urbanization has created substantial change to the region's landscape and ecosystems. This paper uses a dynamic urban-growth model, SLEUTH, which applies six geospatial data themes (slope, land use, exclusion, urban extent, transportation, hillside), to study the process of urbanization and associated land use and land cover change in the Tampa Bay area. To reduce processing time and complete the modeling process within an acceptable period, the model is recoded and ported to a Beowulf cluster. The parallel-processing computer system accomplishes the massive amount of computation the modeling simulation requires. SLEUTH calibration process for the Tampa Bay urban growth simulation spends only 10 h CPU time. The model predicts future land use/cover change trends for Tampa Bay from 1992 to 2025. Urban extent is predicted to double in the Tampa Bay watershed between 1992 and 2025. Results show an upward trend of urbanization at the expense of a decline of 58% and 80% in agriculture and forested lands, respectively. ?? 2005 Elsevier Ltd. All rights reserved.

  14. Computational fluid dynamics: A two-edged sword

    SciTech Connect

    Baker, A.J.; Kelso, R.M.; Gordon, E.B.; Roy, S.; Schaub, E.G.

    1997-08-01

    This article examines computational fluid dynamics (CFD) limitations as a design tool. Two decades have passed since the first paper was published in the ASHRAE Transactions suggesting the use of CFD for quantitative prediction of room air motion. CFD is an emerging methodology, with roots in the defense/aerospace industry, wherein a mathematical model of fluid flow is converted into a digital computational procedure, yielding numbers that approximate the solution of this modeled system, hence the genuine flow state. CFD methodology has indeed brought bright glimmers of an ability to establish firm quantitative data regarding how room air moves. In fact, CFD can predict fluid levels and pressure differences to very low levels, that are essentially impossible to experimentally measure. However, a CFD model constitutes the culmination of a large number of assumptions and approximations, such that the answers produced are essentially never correct. Further, it is the very approximation process in CFD theory that leads to intrinsic error mechanisms that can range from benign to pathological. The ASHRAE professional who seeks to use CFD to assist in system design needs to be fully aware of these two edges of the CFD sword.

  15. Video/Computer Techniques for Static and Dynamic Experimental Mechanics

    NASA Astrophysics Data System (ADS)

    Maddux, Gene E.

    1987-09-01

    Recent advances in video camera and processing technology, coupled with the development of relatively inexpensive but powerful mini- and micro-computers are providing new capabilities for the experimentalist. This paper will present an overview of current areas of application and an insight into the selection of video/computer systems. The application of optical techniques for most experimental mechanics efforts involves the generation of fringe patterns that can be related to the response of an object to some loading condition. The data reduction process may be characterized as a search for fringe position information. These techniques include methods such as holographic interferometry, speckle metrology, moire, and photoelasticity. Although considerable effort has been expended in developing specialized techniques to convert these patterns to useful engineering data, there are particular advantages to the video approach. Other optical techniques are used which do not produce fringe patterns. Among these is a relatively new area of video application; that of determining the time-history of the response of a structure to dynamic excitation. In particular, these systems have been used to perform modal surveys of large, flexible space structures which make the use of conventional test instrumentation difficult, if not impossible. Video recordings of discrete targets distributed on a vibrating structure can be processed to obtain displacement, velocity, and acceleration data.

  16. Application of computational fluid dynamics techniques to blood pumps.

    PubMed

    Sukumar, R; Athavale, M M; Makhijani, V B; Przekwas, A J

    1996-06-01

    Present-day computational fluid dynamics (CFD) techniques can be used to analyze the behavior of fluid flow in a variety of pumps. CFD can be a powerful tool during the design stage for rapid virtual prototyping of different designs, analyzing performance parameters, and making design improvements. Computational flow solutions provide information such as the location and size of stagnation zones and the local shear rate. These parameters can be correlated to the extent of hemolysis and thrombus formation and are critical to the success of a blood pump. CFD-ACE, an advanced commercial CFD code developed by CFD Research Corporation, has been applied to fluid flows in rotary machines, such as axial flow pumps and inducers. Preprocessing and postprocessing tools for efficient grid generation and advanced graphical flow visualization are integrated seamlessly with CFD-ACE. The code has structured multiblock grid capability, non-Newtonian fluid treatment, a variety of turbulence models, and an Eulerian-Langrangian particle tracking model. CFD-ACE has been used successfully to study the flow characteristics in an axial flow blood pump. An unstructured flow solver that greatly automates the process of grid generation and speeds up the flow simulation is under development. PMID:8817950

  17. Efficient computation of spontaneous emission dynamics in arbitrary photonic structures

    NASA Astrophysics Data System (ADS)

    Teimourpour, M. H.; El-Ganainy, R.

    2015-12-01

    Defining a quantum mechanical wavefunction for photons is one of the remaining open problems in quantum physics. Thus quantum states of light are usually treated within the realm of second quantization. Consequently, spontaneous emission (SE) in arbitrary photonic media is often described by Fock space Hamiltonians. Here, we present a real space formulation of the SE process that can capture the physics of the problem accurately under different coupling conditions. Starting from first principles, we map the unitary evolution of a dressed two-level quantum emitter onto the problem of electromagnetic radiation from a self-interacting complex harmonic oscillator. Our formalism naturally leads to an efficient computational scheme of SE dynamics using finite difference time domain method without the need for calculating the photonic eigenmodes of the surrounding environment. In contrast to earlier investigations, our computational framework provides a unified numerical treatment for both weak and strong coupling regimes alike. We illustrate the versatility of our scheme by considering several different examples.

  18. Experimental methodology for computational fluid dynamics code validation

    SciTech Connect

    Aeschliman, D.P.; Oberkampf, W.L.

    1997-09-01

    Validation of Computational Fluid Dynamics (CFD) codes is an essential element of the code development process. Typically, CFD code validation is accomplished through comparison of computed results to previously published experimental data that were obtained for some other purpose, unrelated to code validation. As a result, it is a near certainty that not all of the information required by the code, particularly the boundary conditions, will be available. The common approach is therefore unsatisfactory, and a different method is required. This paper describes a methodology developed specifically for experimental validation of CFD codes. The methodology requires teamwork and cooperation between code developers and experimentalists throughout the validation process, and takes advantage of certain synergisms between CFD and experiment. The methodology employs a novel uncertainty analysis technique which helps to define the experimental plan for code validation wind tunnel experiments, and to distinguish between and quantify various types of experimental error. The methodology is demonstrated with an example of surface pressure measurements over a model of varying geometrical complexity in laminar, hypersonic, near perfect gas, 3-dimensional flow.

  19. High-order computational fluid dynamics tools for aircraft design.

    PubMed

    Wang, Z J

    2014-08-13

    Most forecasts predict an annual airline traffic growth rate between 4.5 and 5% in the foreseeable future. To sustain that growth, the environmental impact of aircraft cannot be ignored. Future aircraft must have much better fuel economy, dramatically less greenhouse gas emissions and noise, in addition to better performance. Many technical breakthroughs must take place to achieve the aggressive environmental goals set up by governments in North America and Europe. One of these breakthroughs will be physics-based, highly accurate and efficient computational fluid dynamics and aeroacoustics tools capable of predicting complex flows over the entire flight envelope and through an aircraft engine, and computing aircraft noise. Some of these flows are dominated by unsteady vortices of disparate scales, often highly turbulent, and they call for higher-order methods. As these tools will be integral components of a multi-disciplinary optimization environment, they must be efficient to impact design. Ultimately, the accuracy, efficiency, robustness, scalability and geometric flexibility will determine which methods will be adopted in the design process. This article explores these aspects and identifies pacing items. PMID:25024419

  20. High-order computational fluid dynamics tools for aircraft design

    PubMed Central

    Wang, Z. J.

    2014-01-01

    Most forecasts predict an annual airline traffic growth rate between 4.5 and 5% in the foreseeable future. To sustain that growth, the environmental impact of aircraft cannot be ignored. Future aircraft must have much better fuel economy, dramatically less greenhouse gas emissions and noise, in addition to better performance. Many technical breakthroughs must take place to achieve the aggressive environmental goals set up by governments in North America and Europe. One of these breakthroughs will be physics-based, highly accurate and efficient computational fluid dynamics and aeroacoustics tools capable of predicting complex flows over the entire flight envelope and through an aircraft engine, and computing aircraft noise. Some of these flows are dominated by unsteady vortices of disparate scales, often highly turbulent, and they call for higher-order methods. As these tools will be integral components of a multi-disciplinary optimization environment, they must be efficient to impact design. Ultimately, the accuracy, efficiency, robustness, scalability and geometric flexibility will determine which methods will be adopted in the design process. This article explores these aspects and identifies pacing items. PMID:25024419

  1. Computational Model of Population Dynamics Based on the Cell Cycle and Local Interactions

    SciTech Connect

    Oprisan, Sorinel Adrian; Oprisan, Ana

    2005-03-31

    Our study bridges cellular (mesoscopic) level interactions and global population (macroscopic) dynamics of carcinoma. The morphological differences and transitions between well and smooth defined benign tumors and tentacular malignat tumors suggest a theoretical analysis of tumor invasion based on the development of mathematical models exhibiting bifurcations of spatial patterns in the density of tumor cells. Our computational model views the most representative and clinically relevant features of oncogenesis as a fight between two distinct sub-systems: the immune system of the host and the neoplastic system. We implemented the neoplastic sub-system using a three-stage cell cycle: active, dormant, and necrosis. The second considered sub-system consists of cytotoxic active (effector) cells -- EC, with a very broad phenotype ranging from NK cells to CTL cells, macrophages, etc. Based on extensive numerical simulations, we correlated the fractal dimensions for carcinoma, which could be obtained from tumor imaging, with the malignat stage. Our computational model was able to also simulate the effects of surgical, chemotherapeutical, and radiotherapeutical treatments.

  2. Influencing Nanoscale Dynamical and Complex Systems for Advanced Computation and Materials

    NASA Astrophysics Data System (ADS)

    Riechers, Paul Michael

    single-electron-tunneling-junction network and we show how the dynamics simplify for the limiting regime of strong and fast coupling, which are both critical steps towards designing useful computational systems from such oscillators. We use these results to show how this non-autonomous dynamical system can be made into a basis for powerful information processing. For bistable oscillators, we show that each physical gate can act as every possible logic gate through appropriately selected bias voltages. As an example of the flexibility of this computational substrate, we also apply our scheme to demonstrate that, with the necessary external influence, a simple network of oscillators can implement any of the 256 possible elementary cellular automata rules. In the final chapter of this thesis, we describe the first account of using a focused electron beam to directly write nanoscale features into thin films of mesoporous silica. We show that we can both modulate film thickness and induce chemical resistance in patterned regions. We show that this chemical resistance can be achieved with the same conditions and comparable electron dosages as are used in more common applications of electron beam lithography (EBL). We further show that gentle polar solvents, including de-ionized water, are sufficient etchants, readily discriminating between the features and the unexposed film. Taken together, our results suggest a novel yet simple strategy to tailor mesoporous silica with conventional nanoscale lithographic techniques.

  3. Nonlinear cellular dynamics of keratinocytes in normal and psoriatic epidermis under action of UV radiation

    NASA Astrophysics Data System (ADS)

    Stolnitz, Mikhail M.; Medvedev, Boris A.; Gribko, Tatyana V.

    2004-05-01

    The semi-phenomenological model of epidermal cell dynamics is submitted. The model takes into account three types of basal layer keratinocytes (stem, transient amplifying, terminally differentiated), distribution of first two types cells on mitotic cycle stages and resting states, keratinocytes-lymphocytes interactions that provide a positive feedback loop, influence of more differentiated cells on their progenitors that provide a negative feedback loop. Simplified model are developed and its stationary solutions are received. The opportunity of interpretation of some received modes as corresponding to various stages of psoriasis is discussed. Influence of UV-radiation on transitions between various modes of epidermis functioning is qualitatively analyzed.

  4. Use of indium-111-labeled cells in measurement of cellular dynamics of experimental cardiac allograft rejection

    SciTech Connect

    Oluwole, S.; Wang, T.; Fawwaz, R.; Satake, K.; Nowygrod, R.; Reemtsma, K.; Hardy, M.A.

    1981-01-01

    This study evaluates the kinetics and utility of infused indium-111-labeled cells in detecting rejection in ACI to Lewis rat heart allografts. Syngeneic leukocytes, lymph node lymphocytes, and platelets were isolated and labeled with indium-111 (/sup 111/In) oxine, respectively, and were infused i.v. into Lewis rats carrying beating ACI or syngeneic hearts from post-transplant days 0 to 6. Recipients were imaged serially at 24 hr after infusion of labeled cells followed by excision of both native and transplanted hearts for direct isotope count. Labeled leukocytes accumulative progressively in the allograft with the scan becoming positive by post-transplant day 4. The ratio of allograft to native heart isotope counts rose from 1.25 on day 1 to 10.07 (P less than 0.0001) on day 7. The Lewis recipients infused with labeled lymphocytes showed a positive scan on days 6 and 7 whereas the allograft to native heart isotope count ratio rose from 0.97 on day 1 to 5.33 (P less than 0.001) on day 7. Recipients infused with /sup 111/In-labeled platelets showed a positive scan on days 5 to 7 and the allograft to native heart isotope count ratio rose sharply from 2.56 on day 4 to 16.98 (P less than 0.005) on day 7. Syngeneic heart grafts failed to demonstrate significant accumulation of any of the labeled cell population. These studies confirm the importance of nonlymphocytic cells in cellular rejection, evaluate the kinetics of graft invasion by the various cell types, and suggest that the techniques used afford a method for a safe and an early detection of allograft rejection.

  5. Role of Junctin Protein Interactions in Cellular Dynamics of Calsequestrin Polymer upon Calcium Perturbation*

    PubMed Central

    Lee, Keun Woo; Maeng, Jin-Soo; Choi, Jeong Yi; Lee, Yu Ran; Hwang, Chae Young; Park, Sung Sup; Park, Hyun Kyu; Chung, Bong Hyun; Lee, Seung-Goo; Kim, Yeon-Soo; Jeon, Hyesung; Eom, Soo Hyun; Kang, ChulHee; Kim, Do Han; Kwon, Ki-Sun

    2012-01-01

    Calsequestrin (CSQ), the major intrasarcoplasmic reticulum calcium storage protein, undergoes dynamic polymerization and depolymerization in a Ca2+-dependent manner. However, no direct evidence of CSQ depolymerization in vivo with physiological relevance has been obtained. In the present study, live cell imaging analysis facilitated characterization of the in vivo dynamics of the macromolecular CSQ structure. CSQ2 appeared as speckles in the presence of normal sarcoplasmic reticulum (SR) Ca2+ that were decondensed upon Ca2+ depletion. Moreover, CSQ2 decondensation occurred only in the stoichiometric presence of junctin (JNT). When expressed alone, CSQ2 speckles remained unchanged, even after Ca2+ depletion. FRET analysis revealed constant interactions between CSQ2 and JNT, regardless of the SR Ca2+ concentration, implying that JNT is an essential component of the CSQ scaffold. In vitro solubility assay, electron microscopy, and atomic force microscopy studies using purified recombinant proteins confirmed Ca2+ and JNT-dependent disassembly of the CSQ2 polymer. Accordingly, we conclude that reversible polymerization and depolymerization of CSQ are critical in SR Ca2+ homeostasis. PMID:22123818

  6. Imaging the impact of chemically inducible proteins on cellular dynamics in vivo.

    PubMed

    Leong, Hon S; Lizardo, Michael M; Ablack, Amber; McPherson, Victor A; Wandless, Thomas J; Chambers, Ann F; Lewis, John D

    2012-01-01

    The analysis of dynamic events in the tumor microenvironment during cancer progression is limited by the complexity of current in vivo imaging models. This is coupled with an inability to rapidly modulate and visualize protein activity in real time and to understand the consequence of these perturbations in vivo. We developed an intravital imaging approach that allows the rapid induction and subsequent depletion of target protein levels within human cancer xenografts while assessing the impact on cell behavior and morphology in real time. A conditionally stabilized fluorescent E-cadherin chimera was expressed in metastatic breast cancer cells, and the impact of E-cadherin induction and depletion was visualized using real-time confocal microscopy in a xenograft avian embryo model. We demonstrate the assessment of protein localization, cell morphology and migration in cells undergoing epithelial-mesenchymal and mesenchymal-epithelial transitions in breast tumors. This technique allows for precise control over protein activity in vivo while permitting the temporal analysis of dynamic biophysical parameters. PMID:22276156

  7. Tissue architecture and function: dynamic reciprocity via extra- and intra-cellular matrices

    PubMed Central

    Boudreau, Aaron

    2009-01-01

    Mammary gland development, functional differentiation, and homeostasis are orchestrated and sustained by a balance of biochemical and biophysical cues from the organ’s microenvironment. The three-dimensional microenvironment of the mammary gland, predominantly ‘encoded’ by a collaboration between the extracellular matrix (ECM), hormones, and growth factors, sends signals from ECM receptors through the cytoskeletal intracellular matrix to nuclear and chromatin structures resulting in gene expression; the ECM in turn is regulated and remodeled by signals from the nucleus. In this chapter, we discuss how coordinated ECM deposition and remodeling is necessary for mammary gland development, how the ECM provides structural and biochemical cues necessary for tissue-specific function, and the role of the cytoskeleton in mediating the extra—to intracellular dialogue occurring between the nucleus and the microenvironment. When operating normally, the cytoskeletal-mediated dynamic and reciprocal integration of tissue architecture and function directs mammary gland development, tissue polarity, and ultimately, tissue-specific gene expression. Cancer occurs when these dynamic inter-actions go awry for an extended time. PMID:19160017

  8. Tissue architecture and function: dynamic reciprocity via extra- and intra-cellular matrices

    SciTech Connect

    Xu, Ren; Boudreau, Aaron; Bissell, Mina J

    2008-12-23

    Mammary gland development, functional differentiation, and homeostasis are orchestrated and sustained by a balance of biochemical and biophysical cues from the organ's microenvironment. The three-dimensional microenvironment of the mammary gland, predominantly 'encoded' by a collaboration between the extracellular matrix (ECM), hormones, and growth factors, sends signals from ECM receptors through the cytoskeletal intracellular matrix to nuclear and chromatin structures resulting in gene expression; the ECM in turn is regulated and remodeled by signals from the nucleus. In this chapter, we discuss how coordinated ECM deposition and remodeling is necessary for mammary gland development, how the ECM provides structural and biochemical cues necessary for tissue-specific function, and the role of the cytoskeleton in mediating the extra - to intracellular dialogue occurring between the nucleus and the microenvironment. When operating normally, the cytoskeletal-mediated dynamic and reciprocal integration of tissue architecture and function directs mammary gland development, tissue polarity, and ultimately, tissue-specific gene expression. Cancer occurs when these dynamic interactions go awry for an extended time.

  9. Dynamics of cellular retinoic acid binding protein I on multiple time scales with implications for ligand binding.

    PubMed

    Krishnan, V V; Sukumar, M; Gierasch, L M; Cosman, M

    2000-08-01

    Cellular retinoic acid binding protein I (CRABPI) belongs to the family of intracellular lipid binding proteins (iLBPs), all of which bind a hydrophobic ligand within an internal cavity. The structures of several iLBPs reveal minimal structural differences between the apo (ligand-free) and holo (ligand-bound) forms, suggesting that dynamics must play an important role in the ligand recognition and binding processes. Here, a variety of nuclear magnetic resonance (NMR) spectroscopy methods were used to systematically study the dynamics of both apo and holo CRABPI at various time scales. Translational and rotational diffusion constant measurements were used to study the overall motions of the proteins. Both apo and holo forms of CRABPI tend to self-associate at high (1.2 mM) concentrations, while at low concentrations (0.2 mM), they are predominantly monomeric. Rapid amide exchange rate and laboratory frame relaxation rate measurements at two spectrometer field strengths (500 and 600 MHz) were used to probe the internal motions of the individual residues. Several residues in the apo form, notably within the ligand recognition region, exhibit millisecond time scale motions that are significantly arrested in the holo form. In contrast, no significant differences in the high-frequency motions were observed between the two forms. These results provide direct experimental evidence for dynamics-induced ligand recognition and binding at a specifically defined time scale. They also exemplify the importance of dynamics in providing a more comprehensive understanding of how a protein functions. PMID:10924105

  10. Computational fluid dynamics modelling of perfusion measurements in dynamic contrast-enhanced computed tomography: development, validation and clinical applications

    NASA Astrophysics Data System (ADS)

    Peladeau-Pigeon, M.; Coolens, C.

    2013-09-01

    Dynamic contrast-enhanced computed tomography (DCE-CT) is an imaging tool that aids in evaluating functional characteristics of tissue at different stages of disease management: diagnostic, radiation treatment planning, treatment effectiveness, and monitoring. Clinical validation of DCE-derived perfusion parameters remains an outstanding problem to address prior to perfusion imaging becoming a widespread standard as a non-invasive quantitative measurement tool. One approach to this validation process has been the development of quality assurance phantoms in order to facilitate controlled perfusion ex vivo. However, most of these systems fail to establish and accurately replicate physiologically relevant capillary permeability and exchange performance. The current work presents the first step in the development of a prospective suite of physics-based perfusion simulations based on coupled fluid flow and particle transport phenomena with the goal of enhancing the understanding of clinical contrast agent kinetics. Existing knowledge about a controllable, two-compartmental fluid exchange phantom was used to validate the computational fluid dynamics (CFD) simulation model presented herein. The sensitivity of CFD-derived contrast uptake curves to contrast injection parameters, including injection duration and flow rate, were quantified and found to be within 10% accuracy. The CFD model was employed to evaluate two commonly used clinical kinetic algorithms used to derive perfusion parameters: Fick's principle and the modified Tofts model. Neither kinetic model was able to capture the true transport phenomena it aimed to represent but if the overall contrast concentration after injection remained identical, then successive DCE-CT evaluations could be compared and could indeed reflect differences in regional tissue flow. This study sets the groundwork for future explorations in phantom development and pharmaco-kinetic modelling, as well as the development of novel contrast

  11. Stable Small Animal Ventilation for Dynamic Lung Imaging to Support Computational Fluid Dynamics Models

    PubMed Central

    Jacob, Richard E.; Lamm, Wayne J.

    2011-01-01

    Pulmonary computational fluid dynamics models require that three-dimensional images be acquired over multiple points in the dynamic breathing cycle without breath holds or changes in ventilatory mechanics. With small animals, these requirements can result in long imaging times (∼90 minutes), over which lung mechanics, such as compliance, may gradually change if not carefully monitored and controlled. These changes, caused by derecruitment of parenchymal tissue, are manifested as an upward drift in peak inspiratory pressure (PIP) or by changes in the pressure waveform and/or lung volume over the course of the experiment. We demonstrate highly repeatable mechanical ventilation in anesthetized rats over a long duration for dynamic lung x-ray computed tomography (CT) imaging. We describe significant updates to a basic commercial ventilator that was acquired for these experiments. Key to achieving consistent results was the implementation of periodic deep breaths, or sighs, of extended duration to maintain lung recruitment. In addition, continuous monitoring of breath-to-breath pressure and volume waveforms and long-term trends in PIP and flow provide diagnostics of changes in breathing mechanics. PMID:22087338

  12. Dynamical studies of model membrane and cellular response to nanosecond, high-intensity pulsed electric fields

    NASA Astrophysics Data System (ADS)

    Hu, Qin

    The dynamics of electroporation of biological cells subjected to nanosecond, high intensity pulses are studied based on a coupled scheme involving the current continuity and Smoluchowski equations. The improved pore formation energy model includes a dependence on pore population and density. It also allows for variable surface tension and incorporates the effects of finite conductivity on the electrostatic correction term, which was not considered by the simple energy models in the literature. It is shown that E(r) becomes self-adjusting with variations in its magnitude and profile. The whole scheme is self-consistent and dynamic. An electromechanical analysis based on thin-shell theory is presented to analyze cell shape changes in response to external electric fields. The calculations demonstrate that at large fields, the spherical cell geometry can be modified, and even ellipsoidal forms may not be appropriate to account for the resulting shape. It is shown that, in keeping with reports in the literature, the final shape depends on membrane thickness. This has direct implications for tissues in which significant molecular restructuring can occur. This study is also focused on obtaining qualitative predictions of pulse width dependence to apoptotic cell irreversibility that has been observed experimentally. The analysis couples a distributed electrical model for current flow with the Smoluchowski equation to provide self-consistent, time-dependent transmembrane voltages. The model captures the essence of the experimentally observed pulse-width dependence, and provides a possible physical picture that depends only on the electrical trigger. Different cell responses of normal and malignant (Farage) tonsillar B-cell are also compared and discussed. It is shown that subjecting a cell to an ultrashort, high-intensity electric pulse is the optimum way for reversible intracellular manipulation. Finally, a simple but physical atomistic model is presented for molecular

  13. Tip cells act as dynamic cellular anchors in the morphogenesis of looped renal tubules in Drosophila.

    PubMed

    Weavers, Helen; Skaer, Helen

    2013-11-11

    Tissue morphogenesis involves both the sculpting of tissue shape and the positioning of tissues relative to one another in the body. Using the renal tubules of Drosophila, we show that a specific distal tubule cell regulates both tissue architecture and position in the body cavity. Focusing on the anterior tubules, we demonstrate that tip cells make transient contacts with alary muscles at abdominal segment boundaries, moving progressively forward as convergent extension movements lengthen the tubule. Tip cell anchorage antagonizes forward-directed, TGF-β-guided tubule elongation, thereby ensuring the looped morphology characteristic of renal tubules from worms to humans. Distinctive tip cell exploratory behavior, adhesion, and basement membrane clearing underlie target recognition and dynamic interactions. Defects in these features obliterate tip cell anchorage, producing misshapen and misplaced tubules with impaired physiological function. PMID:24229645

  14. Evaluation of Aircraft Platforms for SOFIA by Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Klotz, S. P.; Srinivasan, G. R.; VanDalsem, William (Technical Monitor)

    1995-01-01

    The selection of an airborne platform for the Stratospheric Observatory for Infrared Astronomy (SOFIA) is based not only on economic cost, but technical criteria, as well. Technical issues include aircraft fatigue, resonant characteristics of the cavity-port shear layer, aircraft stability, the drag penalty of the open telescope bay, and telescope performance. Recently, two versions of the Boeing 747 aircraft, viz., the -SP and -200 configurations, were evaluated by computational fluid dynamics (CFD) for their suitability as SOFIA platforms. In each configuration the telescope was mounted behind the wings in an open bay with nearly circular aperture. The geometry of the cavity, cavity aperture, and telescope was identical in both platforms. The aperture was located on the port side of the aircraft and the elevation angle of the telescope, measured with respect to the vertical axis, was 500. The unsteady, viscous, three-dimensional, aerodynamic and acoustic flow fields in the vicinity of SOFIA were simulated by an implicit, finite-difference Navier-Stokes flow solver (OVERFLOW) on a Chimera, overset grid system. The computational domain was discretized by structured grids. Computations were performed at wind-tunnel and flight Reynolds numbers corresponding to one free-stream flow condition (M = 0.85, angle of attack alpha = 2.50, and sideslip angle beta = 0 degrees). The computational domains consisted of twenty-nine(29) overset grids in the wind-tunnel simulations and forty-five(45) grids in the simulations run at cruise flight conditions. The maximum number of grid points in the simulations was approximately 4 x 10(exp 6). Issues considered in the evaluation study included analysis of the unsteady flow field in the cavity, the influence of the cavity on the flow across empennage surfaces, the drag penalty caused by the open telescope bay, and the noise radiating from cavity surfaces and the cavity-port shear layer. Wind-tunnel data were also available to compare

  15. A FRAMEWORK FOR FINE-SCALE COMPUTATIONAL FLUID DYNAMICS AIR QUALITY MODELING AND ANALYSIS

    EPA Science Inventory

    Fine-scale Computational Fluid Dynamics (CFD) simulation of pollutant concentrations within roadway and building microenvironments is feasible using high performance computing. Unlike currently used regulatory air quality models, fine-scale CFD simulations are able to account rig...

  16. A dynamic and non-invasive technique for space cellular effects research based on the SPR principle

    NASA Astrophysics Data System (ADS)

    Wang, C. Y.; Li, Y. H.; Xiong, J. H.; Tan, Y. J.; Yu, J. R.; Nie, J. L.

    Space cell and molecular biology research has shown that space environment can affect the cellular morphology and function induce physiological and biochemical disorders The effect mechanism of space factors on the intracellular molecular events involved in signal transduction cytoskeleton reorganization and protein expression Surface plasmon resonance SPR is a promising tool for monitoring and studying the spatio-temporal and dynamic characteristic of the intricate biochemical reactions inside living cells For its advantages such as high sensitivity fast determination safety anti-jamming and long distance transmission it might be used in the space environment for studying the dynamic characteristic of intracellular molecular events In this paper a prototype of portable SPR based cytosensor SBCS was constructed for cell culture and SPR signal record and on the basis of it the corresponding technique was also established and utilized to study the possible involvement of actin cytoskeleton in the glutamate Glu uptake activity in C6 cells Firstly SBCS was used for monitoring the depolymerization of actin cytoskeleton in C6 cells at real-time After cytochalasin D CD was injected into the flow cell to disrupt actin cytoskeleton the SPR sensorgram declined gradually in a time- and dose-dependent manner Then the sensorgrams induced by Glu on C6 cells with or without CD preincubation were monitored The SPR signals induced by Glu were significant depressed by CD pretreatment which indicated that actin cytoskeleton played a crucial

  17. Deriving urban dynamic evolution rules from self-adaptive cellular automata with multi-temporal remote sensing images

    NASA Astrophysics Data System (ADS)

    He, Yingqing; Ai, Bin; Yao, Yao; Zhong, Fajun

    2015-06-01

    Cellular automata (CA) have proven to be very effective for simulating and predicting the spatio-temporal evolution of complex geographical phenomena. Traditional methods generally pose problems in determining the structure and parameters of CA for a large, complex region or a long-term simulation. This study presents a self-adaptive CA model integrated with an artificial immune system to discover dynamic transition rules automatically. The model's parameters are allowed to be self-modified with the application of multi-temporal remote sensing images: that is, the CA can adapt itself to the changed and complex environment. Therefore, urban dynamic evolution rules over time can be efficiently retrieved by using this integrated model. The proposed AIS-based CA model was then used to simulate the rural-urban land conversion of Guangzhou city, located in the core of China's Pearl River Delta. The initial urban land was directly classified from TM satellite image in the year 1990. Urban land in the years 1995, 2000, 2005, 2009 and 2012 was correspondingly used as the observed data to calibrate the model's parameters. With the quantitative index figure of merit (FoM) and pattern similarity, the comparison was further performed between the AIS-based model and a Logistic CA model. The results indicate that the AIS-based CA model can perform better and with higher precision in simulating urban evolution, and the simulated spatial pattern is closer to the actual development situation.

  18. Expression of plasmid DNA in the salivary gland epithelium: novel approaches to study dynamic cellular processes in live animals

    PubMed Central

    Sramkova, Monika; Masedunskas, Andrius; Parente, Laura; Molinolo, Alfredo

    2009-01-01

    The ability to dynamically image cellular and subcellular structures in a live animal and to target genes to a specific cell population in a living tissue provides a unique tool to address many biological questions in the proper physiological context. Here, we describe a powerful approach that is based on the use of rat submandibular salivary glands, which offer the possibility to easily perform intravital imaging and deliver molecules from the oral cavity, and plasmid DNA, which offers the advantage of rapid manipulations. We show that, under different experimental conditions, a reporter molecule can be rapidly expressed in specific compartments of the glands: 1) in the intercalated ducts, when plasmid DNA is administered alone, and 2) in granular ducts, striated ducts, and, to a lesser extent, acini, when plasmid DNA is mixed with replication-deficient adenovirus subtype 5 particles. Remarkably, we also found that gene expression can be directed to acinar cells when plasmid DNA is administered during isoproterenol-stimulated exocytosis, suggesting a novel mechanism of plasmid internalization regulated by compensatory endocytosis. Finally, as a practical application of these strategies, we show how the expression of fluorescently tagged molecules enables the study of the dynamics of various organelles in live animals at a resolution comparable to that achieved in cell cultures. PMID:19794147

  19. A novel computer simulation method for simulating the multiscale transduction dynamics of signal proteins

    NASA Astrophysics Data System (ADS)

    Peter, Emanuel; Dick, Bernhard; Baeurle, Stephan A.

    2012-03-01

    Signal proteins are able to adapt their response to a change in the environment, governing in this way a broad variety of important cellular processes in living systems. While conventional molecular-dynamics (MD) techniques can be used to explore the early signaling pathway of these protein systems at atomistic resolution, the high computational costs limit their usefulness for the elucidation of the multiscale transduction dynamics of most signaling processes, occurring on experimental timescales. To cope with the problem, we present in this paper a novel multiscale-modeling method, based on a combination of the kinetic Monte-Carlo- and MD-technique, and demonstrate its suitability for investigating the signaling behavior of the photoswitch light-oxygen-voltage-2-Jα domain from Avena Sativa (AsLOV2-Jα) and an AsLOV2-Jα-regulated photoactivable Rac1-GTPase (PA-Rac1), recently employed to control the motility of cancer cells through light stimulus. More specifically, we show that their signaling pathways begin with a residual re-arrangement and subsequent H-bond formation of amino acids near to the flavin-mononucleotide chromophore, causing a coupling between β-strands and subsequent detachment of a peripheral α-helix from the AsLOV2-domain. In the case of the PA-Rac1 system we find that this latter process induces the release of the AsLOV2-inhibitor from the switchII-activation site of the GTPase, enabling signal activation through effector-protein binding. These applications demonstrate that our approach reliably reproduces the signaling pathways of complex signal proteins, ranging from nanoseconds up to seconds at affordable computational costs.

  20. A novel computer simulation method for simulating the multiscale transduction dynamics of signal proteins.

    PubMed

    Peter, Emanuel; Dick, Bernhard; Baeurle, Stephan A

    2012-03-28

    Signal proteins are able to adapt their response to a change in the environment, governing in this way a broad variety of important cellular processes in living systems. While conventional molecular-dynamics (MD) techniques can be used to explore the early signaling pathway of these protein systems at atomistic resolution, the high computational costs limit their usefulness for the elucidation of the multiscale transduction dynamics of most signaling processes, occurring on experimental timescales. To cope with the problem, we present in this paper a novel multiscale-modeling method, based on a combination of the kinetic Monte-Carlo- and MD-technique, and demonstrate its suitability for investigating the signaling behavior of the photoswitch light-oxygen-voltage-2-Jα domain from Avena Sativa (AsLOV2-Jα) and an AsLOV2-Jα-regulated photoactivable Rac1-GTPase (PA-Rac1), recently employed to control the motility of cancer cells through light stimulus. More specifically, we show that their signaling pathways begin with a residual re-arrangement and subsequent H-bond formation of amino acids near to the flavin-mononucleotide chromophore, causing a coupling between β-strands and subsequent detachment of a peripheral α-helix from the AsLOV2-domain. In the case of the PA-Rac1 system we find that this latter process induces the release of the AsLOV2-inhibitor from the switchII-activation site of the GTPase, enabling signal activation through effector-protein binding. These applications demonstrate that our approach reliably reproduces the signaling pathways of complex signal proteins, ranging from nanoseconds up to seconds at affordable computational costs. PMID:22462840