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Sample records for cementitious systems multiscale

  1. Temporary Cementitious Sealers in Enhanced Geothermal Systems

    SciTech Connect

    Sugama T.; Pyatina, T.; Butcher, T.; Brothers, L.; Bour, D.

    2011-12-31

    Unlike conventional hydrothennal geothermal technology that utilizes hot water as the energy conversion resources tapped from natural hydrothermal reservoir located at {approx}10 km below the ground surface, Enhanced Geothermal System (EGS) must create a hydrothermal reservoir in a hot rock stratum at temperatures {ge}200 C, present in {approx}5 km deep underground by employing hydraulic fracturing. This is the process of initiating and propagating a fracture as well as opening pre-existing fractures in a rock layer. In this operation, a considerable attention is paid to the pre-existing fractures and pressure-generated ones made in the underground foundation during drilling and logging. These fractures in terms of lost circulation zones often cause the wastage of a substantial amount of the circulated water-based drilling fluid or mud. Thus, such lost circulation zones must be plugged by sealing materials, so that the drilling operation can resume and continue. Next, one important consideration is the fact that the sealers must be disintegrated by highly pressured water to reopen the plugged fractures and to promote the propagation of reopened fractures. In response to this need, the objective of this phase I project in FYs 2009-2011 was to develop temporary cementitious fracture sealing materials possessing self-degradable properties generating when {ge} 200 C-heated scalers came in contact with water. At BNL, we formulated two types of non-Portland cementitious systems using inexpensive industrial by-products with pozzolanic properties, such as granulated blast-furnace slag from the steel industries, and fly ashes from coal-combustion power plants. These byproducts were activated by sodium silicate to initiate their pozzolanic reactions, and to create a cemetitious structure. One developed system was sodium silicate alkali-activated slag/Class C fly ash (AASC); the other was sodium silicate alkali-activated slag/Class F fly ash (AASF) as the binder of temper

  2. Multi-scale periodic homogenization of ionic transfer in cementitious materials

    NASA Astrophysics Data System (ADS)

    Bourbatache, K.; Millet, O.; Aït-Mokhtar, A.

    2016-08-01

    A multi-scale periodic homogenization procedure of the ionic transfers in saturated porous media is proposed. An application on a multi-scale porous material was achieved for establishing models describing a ionic transfer from Nernst-Planck-Poisson-Boltzmann system. The first one is obtained by homogenization from the scale of Debye length to the capillary porosity scale, by taking into account the electrical double layer phenomenon. The second one results from another homogenization procedure from the capillary porosity scale to the scale of the material, where the electrical double layer effects are naturally negligible. A numerical parametric study is conducted on three dimensional elementary cells in order to highlight the effects of the electrical double layer on the ionic transfer parameters. Comparisons with existing experimental data are also presented and discussed. The double homogenization procedure gives homogenized diffusion coefficients very close to those obtained experimentally for chlorides ions from electrodiffusion tests carried out in laboratory.

  3. Multiscale characterization of chemical–mechanical interactions between polymer fibers and cementitious matrix

    SciTech Connect

    Hernández-Cruz, Daniel; Hargis, Craig W.; Bae, Sungchul; Itty, Pierre A.; Meral, Cagla; Dominowski, Jolee; Radler, Michael J.; Kilcoyne, David A.; Monteiro, Paulo J. M.

    2014-04-01

    Together with a series of mechanical tests, the interactions and potential bonding between polymeric fibers and cementitious materials were studied using scanning transmission X-ray microscopy (STXM) and microtomography (lCT). Experimental results showed that these techniques have great potential to characterize the polymer fiber-hydrated cement-paste matrix interface, as well as differentiating the chemistry of the two components of a bi-polymer (hybrid) fiber the polypropylene core and the ethylene acrylic acid copolymer sheath. Similarly, chemical interactions between the hybrid fiber and the cement hydration products were observed, indicating the chemical bonding between the sheath and the hardened cement paste matrix. Microtomography allowed visualization of the performance of the samples, and the distribution and orientation of the two types of fiber in mortar. Beam flexure tests confirmed improved tensile strength of mixes containing hybrid fibers, and expansion bar tests showed similar reductions in expansion for the polypropylene and hybrid fiber mortar bars.

  4. Oxidation of carbon fiber surfaces for use as reinforcement in high-temperature cementitious material systems

    DOEpatents

    Sugama, Toshifumi.

    1990-05-22

    The interfacial bond characteristics between carbon fiber and a cement matrix, in high temperature fiber-reinforced cementitious composite systems, can be improved by the oxidative treatment of the fiber surfaces. Compositions and the process for producing the compositions are disclosed. 2 figs.

  5. Oxidation of carbon fiber surfaces for use as reinforcement in high-temperature cementitious material systems

    DOEpatents

    Sugama, Toshifumi

    1990-01-01

    The interfacial bond characteristics between carbon fiber and a cement matrix, in high temperature fiber-reinforced cementitious composite systems, can be improved by the oxidative treatment of the fiber surfaces. Compositions and the process for producing the compositions are disclosed.

  6. Glass science tutorial: Lecture No. 8, introduction cementitious systems for Low-Level Waste immobilization

    SciTech Connect

    Young, J.F.; Kirkpatrick, R.J.; Mason, T.O.; Brough, A.

    1995-07-01

    This report presents details about cementitious systems for low-level waste immobilization. Topics discussed include: composition and properties of portland cement; hydration properties; microstructure of concrete; pozzolans; slags; zeolites; transport properties; and geological aspects of long-term durability of concrete.

  7. A new system for crack closure of cementitious materials using shrinkable polymers

    SciTech Connect

    Jefferson, Anthony; Joseph, Christopher; Lark, Robert; Isaacs, Ben; Dunn, Simon; Weager, Brendon

    2010-05-15

    This paper presents details of an original crack-closure system for cementitious materials using shrinkable polymer tendons. The system involves the incorporation of unbonded pre-oriented polymer tendons in cementitious beams. Crack closure is achieved by thermally activating the shrinkage mechanism of the restrained polymer tendons after the cement-based material has undergone initial curing. The feasibility of the system is demonstrated in a series of small scale experiments on pre-cracked prismatic mortar specimens. The results from these tests show that, upon activation, the polymer tendon completely closes the preformed macro-cracks and imparts a significant stress across the crack faces. The potential of the system to enhance the natural autogenous crack healing process and generally improve the durability of concrete structures is addressed.

  8. Multiscale Computational Models of Complex Biological Systems

    PubMed Central

    Walpole, Joseph; Papin, Jason A.; Peirce, Shayn M.

    2014-01-01

    Integration of data across spatial, temporal, and functional scales is a primary focus of biomedical engineering efforts. The advent of powerful computing platforms, coupled with quantitative data from high-throughput experimental platforms, has allowed multiscale modeling to expand as a means to more comprehensively investigate biological phenomena in experimentally relevant ways. This review aims to highlight recently published multiscale models of biological systems while using their successes to propose the best practices for future model development. We demonstrate that coupling continuous and discrete systems best captures biological information across spatial scales by selecting modeling techniques that are suited to the task. Further, we suggest how to best leverage these multiscale models to gain insight into biological systems using quantitative, biomedical engineering methods to analyze data in non-intuitive ways. These topics are discussed with a focus on the future of the field, the current challenges encountered, and opportunities yet to be realized. PMID:23642247

  9. Thermally conductive cementitious grout for geothermal heat pump systems

    DOEpatents

    Allan, Marita

    2001-01-01

    A thermally conductive cement-sand grout for use with a geothermal heat pump system. The cement sand grout contains cement, silica sand, a superplasticizer, water and optionally bentonite. The present invention also includes a method of filling boreholes used for geothermal heat pump systems with the thermally conductive cement-sand grout. The cement-sand grout has improved thermal conductivity over neat cement and bentonite grouts, which allows shallower bore holes to be used to provide an equivalent heat transfer capacity. In addition, the cement-sand grouts of the present invention also provide improved bond strengths and decreased permeabilities. The cement-sand grouts can also contain blast furnace slag, fly ash, a thermoplastic air entraining agent, latex, a shrinkage reducing admixture, calcium oxide and combinations thereof.

  10. Efficient multiscale simulation of simple metallic systems

    NASA Astrophysics Data System (ADS)

    Choly, Nicholas Isaac

    2004-12-01

    The steady increase in computational resources and numerical sophistication has brought about a new approach in physical simulation. The methods that comprise this approach are known as multiscale methods, and have the defining characteristic of combining several simulation methods together, rendering tractable physical problems that no single simulation method can resolve. We have developed an approach for coupling quantum-mechanical and classical methods for the efficient simulation of multiscale problems in simple metals. The present multiscale method employs orbital-free density functional theory, in which fictitious orbitals are never introduced. We review the theory, and describe the state-of-the-art functionals associated with it. We have developed an efficient simulation code for performing orbital-free density functional theory calculations, and we describe the methods developed to treat the functional minimization problem. One of the biggest barriers hindering the widespread use of orbital-free methods is that only local pseudopotentials can be used, and hence the powerful machinery of norm-conserving pseudopotentials is inapplicable. We develop a similar machinery for local pseudopotentials, and we report on the application of these methods. We solve several problems associated with the efficient use of orbital-free density functional methods. Certain orbital-free methods are formulated in reciprocal space and are applicable to periodic systems. Incorporation of these methods in a multiscale setting requires that the effects of periodicity be absent. A direct translation of the methods to real space is extremely inefficient. Motivated by these considerations, we have developed an efficient method for applying orbital-free methods to non-periodic systems. We also overcome an algorithmic problem with the calculation of ionic forces in grid-based electronic structure methods in general. We develop and test an efficient method for computing ionic forces that

  11. Modeling of early age loss of lithium ions from pore solution of cementitious systems treated with lithium nitrate

    SciTech Connect

    Kim, Taehwan Olek, Jan

    2015-01-15

    Addition of lithium nitrate admixture to the fresh concrete mixture helps to minimize potential problems related to alkali-silica reaction. For this admixture to function as an effective ASR control measure, it is imperative that the lithium ions remain in the pore solution. However, it was found that about 50% of the originally added lithium ions are removed from the pore solution during early stages of hydration. This paper revealed that the magnitude of the Li{sup +} ion loss is highly dependent on the concentration of Li{sup +} ions in the pore solution and the hydration rate of the cementitious systems. Using these findings, an empirical model has been developed which can predict the loss of Li{sup +} ions from the pore solution during the hydration period. The proposed model can be used to investigate the effects of mixture parameters on the loss of Li{sup +} ions from the pore solution of cementitious system.

  12. Automated multiscale measurement system for MEMS characterisation

    NASA Astrophysics Data System (ADS)

    Lyda, W.; Burla, A.; Haist, T.; Zimmermann, J.; Osten, W.; Sawodny, O.

    2010-05-01

    In former publications we presented an automated multiscale measurement system (AMMS) based on an adaptable active exploration strategy. The system is armed with several sensors linked by indicator algorithms to identify unresolved defects and to trigger finer resolved measurements. The advantage of this strategy in comparison to single sensor approaches is its high flexibility which is used to balance the conflict between measurement range, resolution and duration. For an initial proof of principle we used the system for inspection of microlens arrays. An even higher challenge for inspection systems are modern micro electro-mechanical systems (MEMS). MEMS consist of critical functional components which range from several millimeters down to micrometers and typically have tolerances in sub-micron scale. This contribution is focused on the inspection of MEMS using the example of micro calibration devices. This new class of objects has completely different surface characteristics and features hence it is necessary to adapted the components of the AMMS. Typical defects found on calibration devices are for example broken actuator combs and springs, surface cracks or missing features. These defects have less influence on the optical properties of the surface and the MEMS surface generates more complex intensity distributions in comparison microlense arrays. At the same time, the surface features of the MEMS have a higher variety and less periodicity which reduce the performance of currently used algorithms. To meet these requirements, we present new indicator algorithms for the automated analysis of confocal as well as conventional imaging data and show initial multiscale inspection results.

  13. The pyramid system for multiscale raster analysis

    USGS Publications Warehouse

    De Cola, L.; Montagne, N.

    1993-01-01

    Geographical research requires the management and analysis of spatial data at multiple scales. As part of the U.S. Geological Survey's global change research program a software system has been developed that reads raster data (such as an image or digital elevation model) and produces a pyramid of aggregated lattices as well as various measurements of spatial complexity. For a given raster dataset the system uses the pyramid to report: (1) mean, (2) variance, (3) a spatial autocorrelation parameter based on multiscale analysis of variance, and (4) a monofractal scaling parameter based on the analysis of isoline lengths. The system is applied to 1-km digital elevation model (DEM) data for a 256-km2 region of central California, as well as to 64 partitions of the region. PYRAMID, which offers robust descriptions of data complexity, also is used to describe the behavior of topographic aspect with scale. ?? 1993.

  14. Multiscale systems integration in the eye.

    PubMed

    Jacobs, Marc D

    2009-01-01

    A series of research topics on the eye is reviewed with the aim of illustrating how integrative and systems-biological approaches can be used to understand complex properties and functions of ocular tissues. Emphasis is placed on the diversity of physiological systems represented in the eye, and the variety of approaches required to analyze those systems, both empirically and theoretically. Modeling and empirical studies reviewed focus mainly on problems that the eye presents, in the broad areas of biomechanics and fluid dynamics from the molecular to the whole-organ scale. Attention is given to the relevance of these studies in human disease and the current potential for development of medical therapies based upon a biophysical, integrative modeling approach. The creation of a multiscale hierarchy of numerical models of the eye is proposed as an important and unifying aim of integrative eye research.

  15. Magnetospheric MultiScale (MMS) System Manager

    NASA Technical Reports Server (NTRS)

    Schiff, Conrad; Maher, Francis Alfred; Henely, Sean Philip; Rand, David

    2014-01-01

    The Magnetospheric MultiScale (MMS) mission is an ambitious NASA space science mission in which 4 spacecraft are flown in tight formation about a highly elliptical orbit. Each spacecraft has multiple instruments that measure particle and field compositions in the Earths magnetosphere. By controlling the members relative motion, MMS can distinguish temporal and spatial fluctuations in a way that a single spacecraft cannot.To achieve this control, 2 sets of four maneuvers, distributed evenly across the spacecraft must be performed approximately every 14 days. Performing a single maneuver on an individual spacecraft is usually labor intensive and the complexity becomes clearly increases with four. As a result, the MMS flight dynamics team turned to the System Manager to put the routine or error-prone under machine control freeing the analysts for activities that require human judgment.The System Manager is an expert system that is capable of handling operations activities associated with performing MMS maneuvers. As an expert system, it can work off a known schedule, launching jobs based on a one-time occurrence or on a set reoccurring schedule. It is also able to detect situational changes and use event-driven programming to change schedules, adapt activities, or call for help.

  16. Irreversible thermodynamics in multiscale stochastic dynamical systems.

    PubMed

    Santillán, Moisés; Qian, Hong

    2011-04-01

    This work extends the results of a recently developed theory of a rather complete thermodynamic formalism for discrete-state, continuous-time Markov processes with and without detailed balance. We investigate whether and in what way the thermodynamic structure is invariant in a multiscale stochastic system, that is, whether the relations between thermodynamic functions of state and process variables remain unchanged when the system is viewed at different time scales and resolutions. Our results show that the dynamics on a fast time scale contribute an entropic term to the internal energy function u(S)(x) for the slow dynamics. Based on the conditional free energy u(S)(x), we can then treat the slow dynamics as if the fast dynamics is nonexistent. Furthermore, we show that the free energy, which characterizes the spontaneous organization in a system without detailed balance, is invariant with or without the fast dynamics: The fast dynamics is assumed to reach stationarity instantaneously on the slow time scale; it has no effect on the system's free energy. The same cannot be said for the entropy and the internal energy, both of which contain the same contribution from the fast dynamics. We also investigate the consequences of time-scale separation in connection to the concepts of quasi-stationarity and steady adiabaticity introduced in the phenomenological steady-state thermodynamics.

  17. Microphysics in Multi-scale Modeling System with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2012-01-01

    Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the microphysics development and its performance for the multi-scale modeling system will be presented.

  18. Rough set approach to incomplete multiscale information system.

    PubMed

    Yang, Xibei; Qi, Yong; Yu, Dongjun; Yu, Hualong; Song, Xiaoning; Yang, Jingyu

    2014-01-01

    Multiscale information system is a new knowledge representation system for expressing the knowledge with different levels of granulations. In this paper, by considering the unknown values, which can be seen everywhere in real world applications, the incomplete multiscale information system is firstly investigated. The descriptor technique is employed to construct rough sets at different scales for analyzing the hierarchically structured data. The problem of unravelling decision rules at different scales is also addressed. Finally, the reduct descriptors are formulated to simplify decision rules, which can be derived from different scales. Some numerical examples are employed to substantiate the conceptual arguments. PMID:25276852

  19. Multiscale integration schemes for jump-diffusion systems

    SciTech Connect

    Givon, D.; Kevrekidis, I.G.

    2008-12-09

    We study a two-time-scale system of jump-diffusion stochastic differential equations. We analyze a class of multiscale integration methods for these systems, which, in the spirit of [1], consist of a hybridization between a standard solver for the slow components and short runs for the fast dynamics, which are used to estimate the effect that the fast components have on the slow ones. We obtain explicit bounds for the discrepancy between the results of the multiscale integration method and the slow components of the original system.

  20. Multiscale simulation of soft matter systems.

    PubMed

    Peter, Christine; Kremer, Kurt

    2010-01-01

    This paper gives a short introduction to multiscale simulation approaches in soft matter science. This paper is based on and extended from a previous review. (1. C. Peter and K. Kremer, Soft Matter, 2009, DOI:10.1039/b912027k.) It also includes a discussion of aspects of soft matter in general and a short account of one of the historically underlying concepts, namely renormalization group theory. Some different concepts and several typical problems are shortly addressed, including a (more personal) view on challenges and chances.

  1. New methods to quantify the cracking performance of cementitious systems made with internal curing

    NASA Astrophysics Data System (ADS)

    Schlitter, John L.

    The use of high performance concretes that utilize low water-cement ratios have been promoted for use in infrastructure based on their potential to increase durability and service life because they are stronger and less porous. Unfortunately, these benefits are not always realized due to the susceptibility of high performance concrete to undergo early age cracking caused by shrinkage. This problem is widespread and effects federal, state, and local budgets that must maintain or replace deterioration caused by cracking. As a result, methods to reduce or eliminate early age shrinkage cracking have been investigated. Internal curing is one such method in which a prewetted lightweight sand is incorporated into the concrete mixture to provide internal water as the concrete cures. This action can significantly reduce or eliminate shrinkage and in some cases causes a beneficial early age expansion. Standard laboratory tests have been developed to quantify the shrinkage cracking potential of concrete. Unfortunately, many of these tests may not be appropriate for use with internally cured mixtures and only provide limited amounts of information. Most standard tests are not designed to capture the expansive behavior of internally cured mixtures. This thesis describes the design and implementation of two new testing devices that overcome the limitations of current standards. The first device discussed in this thesis is called the dual ring. The dual ring is a testing device that quantifies the early age restrained shrinkage performance of cementitious mixtures. The design of the dual ring is based on the current ASTM C 1581-04 standard test which utilizes one steel ring to restrain a cementitious specimen. The dual ring overcomes two important limitations of the standard test. First, the standard single ring test cannot restrain the expansion that takes place at early ages which is not representative of field conditions. The dual ring incorporates a second restraining ring

  2. Multiscale modeling of integrated CCS systems

    NASA Astrophysics Data System (ADS)

    Alhajaj, Ahmed; Shah, Nilay

    2015-01-01

    The world will continue consuming fossil fuel within the coming decades to meet its growing energy demand; however, this source must be cleaner through implementation of carbon capture, transport and storage (CCTS). This process is complex and involves multiple phases, owned by different operational companies and stakeholders with different business models and regulatory framework. The objective of this work is to develop a multiscale modeling approach to link process models, post-combustion capture plant model and network design models under an optimization framework in order to design and analyse the cost optimal CO2 infrastructure that match CO2 sources and sinks in capacity and time. The network comprises a number of CO2 sources at fixed locations and a number of potential CO2 storage sites. The decisions to be determined include from which sources it is appropriate to capture CO2 and the cost-optimal degree-of-capture (DOC) for a given source and the infrastructural layout of the CO2 transmission network.

  3. A trajectory-free framework for analysing multiscale systems

    NASA Astrophysics Data System (ADS)

    Froyland, Gary; Gottwald, Georg A.; Hammerlindl, Andy

    2016-08-01

    We develop algorithms built around properties of the transfer operator and Koopman operator which (1) test for possible multiscale dynamics in a given dynamical system, (2) estimate the magnitude of the time-scale separation, and finally (3) distill the reduced slow dynamics on a suitably designed subspace. By avoiding trajectory integration, the developed techniques are highly computationally efficient. We corroborate our findings with numerical simulations of a test problem.

  4. Final Technical Report "Multiscale Simulation Algorithms for Biochemical Systems"

    SciTech Connect

    Petzold, Linda R.

    2012-10-25

    Biochemical systems are inherently multiscale and stochastic. In microscopic systems formed by living cells, the small numbers of reactant molecules can result in dynamical behavior that is discrete and stochastic rather than continuous and deterministic. An analysis tool that respects these dynamical characteristics is the stochastic simulation algorithm (SSA, Gillespie, 1976), a numerical simulation procedure that is essentially exact for chemical systems that are spatially homogeneous or well stirred. Despite recent improvements, as a procedure that simulates every reaction event, the SSA is necessarily inefficient for most realistic problems. There are two main reasons for this, both arising from the multiscale nature of the underlying problem: (1) stiffness, i.e. the presence of multiple timescales, the fastest of which are stable; and (2) the need to include in the simulation both species that are present in relatively small quantities and should be modeled by a discrete stochastic process, and species that are present in larger quantities and are more efficiently modeled by a deterministic differential equation (or at some scale in between). This project has focused on the development of fast and adaptive algorithms, and the fun- damental theory upon which they must be based, for the multiscale simulation of biochemical systems. Areas addressed by this project include: (1) Theoretical and practical foundations for ac- celerated discrete stochastic simulation (tau-leaping); (2) Dealing with stiffness (fast reactions) in an efficient and well-justified manner in discrete stochastic simulation; (3) Development of adaptive multiscale algorithms for spatially homogeneous discrete stochastic simulation; (4) Development of high-performance SSA algorithms.

  5. Multi-scale modeling of hemodynamics in the cardiovascular system

    NASA Astrophysics Data System (ADS)

    Liu, Hao; Liang, Fuyou; Wong, Jasmin; Fujiwara, Takashi; Ye, Wenjing; Tsubota, Ken-iti; Sugawara, Michiko

    2015-08-01

    The human cardiovascular system is a closed-loop and complex vascular network with multi-scaled heterogeneous hemodynamic phenomena. Here, we give a selective review of recent progress in macro-hemodynamic modeling, with a focus on geometrical multi-scale modeling of the vascular network, micro-hemodynamic modeling of microcirculation, as well as blood cellular, subcellular, endothelial biomechanics, and their interaction with arterial vessel mechanics. We describe in detail the methodology of hemodynamic modeling and its potential applications in cardiovascular research and clinical practice. In addition, we present major topics for future study: recent progress of patient-specific hemodynamic modeling in clinical applications, micro-hemodynamic modeling in capillaries and blood cells, and the importance and potential of the multi-scale hemodynamic modeling.

  6. Engineering Complex Systems: Multiscale Analysis and Evolutionary Engineering

    NASA Astrophysics Data System (ADS)

    Bar-Yam, Yaneer

    We describe an analytic approach, multiscale analysis, that can demonstrate the fundamental limitations of decomposition based engineering for the development of highly complex systems. The interdependence of components and communication between design teams limits any planning based process. Recognizing this limitation, we found that a new strategy for constructing many highly complex systems should be modeled after biological evolution, or market economies, where multiple design efforts compete in parallel for adoption through testing in actual use. Evolution is the only process that is known to create highly complex systems.

  7. BioModel engineering for multiscale Systems Biology.

    PubMed

    Heiner, Monika; Gilbert, David

    2013-04-01

    We discuss some motivational challenges arising from the need to model and analyse complex biological systems at multiple scales (spatial and temporal), and present a biomodel engineering framework to address some of these issues within the context of multiscale Systems Biology. Our methodology is based on a structured family of Petri net classes which enables the investigation of a given system using various modelling abstractions: qualitative, stochastic, continuous and hybrid, optionally in a spatial context. We illustrate our approach with case studies demonstrating hierarchical flattening, treatment of space, and hierarchical organisation of space.

  8. Towards an adaptive multiscale ensemble system with stochastic parameterisations

    NASA Astrophysics Data System (ADS)

    Kober, Kirstin; Craig, George C.; Förster, Annette; Selz, Tobias

    2013-04-01

    A multiscale ensemble forecasting system enables to examine the relation between the predictability of high impact weather and uncertainty coming from both small and large scales. Within the project Pandowae (Predictability ANd Dynamics Of Weather Systems in the Atlantic-European Sector) such a multiscale ensemble system is under development focusing on variability caused by convection. The large scale variability is provided by a selection of 10 members of the global IFS ensemble prediction system (EPS) of ECMWF. Within each of these 10 members, ten COSMO (Consortium for Small-scale Modeling) model runs with 7 km horizontal resolution are nested. The 100 high resolution forecasts use the the Plant-Craig stochastic convection parameterization representing convective variability. The skill of this existing part of the ensemble system (100 members) is investigated and compared with observations with focus on precipitation forecasts. Neighbourhood verification techniques are applied to compare the skill of the stochastic realizations with the standard Tiedtke convection scheme. First results show that for high thresholds the forecasts with the Plant-Craig scheme are superior to the Tiedtke forecasts. The probabilistic skill of the ensemble is also investigated. The last component of the multiscale EPS representing small scale variability is currently under development. COSMO experiments with 2.8 km horizontal resolution are nested into the 100 7 km members with perturbations to the convective boundary layer. The amplitude of the variability is determined based on physical processes affecting the initiation of convection in the boundary layer like surface heating, subgrid scale orography or cold pools. Perturbations based on these processes are added to the tendencies and analysed.

  9. A Goddard Multi-Scale Modeling System with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, W.K.; Anderson, D.; Atlas, R.; Chern, J.; Houser, P.; Hou, A.; Lang, S.; Lau, W.; Peters-Lidard, C.; Kakar, R.; Kumar, S.; Lapenta, W.; Li, X.; Matsui, T.; Rienecker, M.; Shen, B.W.; Shi, J.J.; Simpson, J.; Zeng, X.

    2008-01-01

    Numerical cloud resolving models (CRMs), which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that CRMs agree with observations in simulating various types of clouds and cloud systems from different geographic locations. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that Numerical Weather Prediction (NWP) and regional scale model can be run in grid size similar to cloud resolving model through nesting technique. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a szrper-parameterization or multi-scale modeling -framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign can provide initial conditions as well as validation through utilizing the Earth Satellite simulators. At Goddard, we have developed a multi-scale modeling system with unified physics. The modeling system consists a coupled GCM-CRM (or MMF); a state-of-the-art weather research forecast model (WRF) and a cloud-resolving model (Goddard Cumulus Ensemble model). In these models, the same microphysical schemes (2ICE, several 3ICE), radiation (including explicitly calculated cloud optical properties), and surface models are applied. In addition, a comprehensive unified Earth Satellite

  10. A multiscale systems perspective on cancer, immunotherapy, and Interleukin-12

    PubMed Central

    2010-01-01

    Monoclonal antibodies represent some of the most promising molecular targeted immunotherapies. However, understanding mechanisms by which tumors evade elimination by the immune system of the host presents a significant challenge for developing effective cancer immunotherapies. The interaction of cancer cells with the host is a complex process that is distributed across a variety of time and length scales. The time scales range from the dynamics of protein refolding (i.e., microseconds) to the dynamics of disease progression (i.e., years). The length scales span the farthest reaches of the human body (i.e., meters) down to the range of molecular interactions (i.e., nanometers). Limited ranges of time and length scales are used experimentally to observe and quantify changes in physiology due to cancer. Translating knowledge obtained from the limited scales observed experimentally to predict patient response is an essential prerequisite for the rational design of cancer immunotherapies that improve clinical outcomes. In studying multiscale systems, engineers use systems analysis and design to identify important components in a complex system and to test conceptual understanding of the integrated system behavior using simulation. The objective of this review is to summarize interactions between the tumor and cell-mediated immunity from a multiscale perspective. Interleukin-12 and its role in coordinating antibody-dependent cell-mediated cytotoxicity is used illustrate the different time and length scale that underpin cancer immunoediting. An underlying theme in this review is the potential role that simulation can play in translating knowledge across scales. PMID:20843320

  11. Multivariate and Multiscale Data Assimilation in Terrestrial Systems: A Review

    PubMed Central

    Montzka, Carsten; Pauwels, Valentijn R. N.; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

    2012-01-01

    More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

  12. Multivariate and multiscale data assimilation in terrestrial systems: a review.

    PubMed

    Montzka, Carsten; Pauwels, Valentijn R N; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

    2012-11-26

    More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

  13. Multi-Scale Validation of a Nanodiamond Drug Delivery System and Multi-Scale Engineering Education

    ERIC Educational Resources Information Center

    Schwalbe, Michelle Kristin

    2010-01-01

    This dissertation has two primary concerns: (i) evaluating the uncertainty and prediction capabilities of a nanodiamond drug delivery model using Bayesian calibration and bias correction, and (ii) determining conceptual difficulties of multi-scale analysis from an engineering education perspective. A Bayesian uncertainty quantification scheme…

  14. Magnetospheric Multiscale (MMS) Mission Attitude Ground System Design

    NASA Technical Reports Server (NTRS)

    Sedlak, Joseph E.; Superfin, Emil; Raymond, Juan C.

    2011-01-01

    This paper presents an overview of the attitude ground system (AGS) currently under development for the Magnetospheric Multiscale (MMS) mission. The primary responsibilities for the MMS AGS are definitive attitude determination, validation of the onboard attitude filter, and computation of certain parameters needed to improve maneuver performance. For these purposes, the ground support utilities include attitude and rate estimation for validation of the onboard estimates, sensor calibration, inertia tensor calibration, accelerometer bias estimation, center of mass estimation, and production of a definitive attitude history for use by the science teams. Much of the AGS functionality already exists in utilities used at NASA's Goddard Space Flight Center with support heritage from many other missions, but new utilities are being created specifically for the MMS mission, such as for the inertia tensor, accelerometer bias, and center of mass estimation. Algorithms and test results for all the major AGS subsystems are presented here.

  15. Using the PORS Problems to Examine Evolutionary Optimization of Multiscale Systems

    SciTech Connect

    Reinhart, Zachary; Molian, Vaelan; Bryden, Kenneth

    2013-01-01

    Nearly all systems of practical interest are composed of parts assembled across multiple scales. For example, an agrodynamic system is composed of flora and fauna on one scale; soil types, slope, and water runoff on another scale; and management practice and yield on another scale. Or consider an advanced coal-fired power plant: combustion and pollutant formation occurs on one scale, the plant components on another scale, and the overall performance of the power system is measured on another. In spite of this, there are few practical tools for the optimization of multiscale systems. This paper examines multiscale optimization of systems composed of discrete elements using the plus-one-recall-store (PORS) problem as a test case or study problem for multiscale systems. From this study, it is found that by recognizing the constraints and patterns present in discrete multiscale systems, the solution time can be significantly reduced and much more complex problems can be optimized.

  16. Systems Biology of Asthma and Allergic Diseases: A Multiscale Approach

    PubMed Central

    Bunyavanich, Supinda; Schadt, Eric E.

    2014-01-01

    Systems biology is an approach to understanding living systems that focuses on modeling diverse types of high-dimensional interactions to develop a more comprehensive understanding of complex phenotypes manifested by the system. High throughput molecular, cellular, and physiologic profiling of populations is coupled with bioinformatic and computational techniques to identify new functional roles for genes, regulatory elements, and metabolites in the context of the molecular networks that define biological processes associated with system physiology. Given the complexity and heterogeneity of asthma and allergic diseases, a systems biology approach is attractive, as it has the potential to model the myriad connections and interdependencies between genetic predisposition, environmental perturbations, regulatory intermediaries, and molecular sequelae that ultimately lead to diverse disease phenotypes and treatment responses across individuals. The increasing availability of high-throughput technologies has enabled system-wide profiling of the genome, transcriptome, epigenome, microbiome, and metabolome, providing fodder for systems biology approaches to examine asthma and allergy at a more holistic level. In this article, we review the technologies and approaches for system-wide profiling as well as their more recent applications to asthma and allergy. We discuss approaches for integrating multiscale data through network analyses and provide perspective on how individually-captured health profiles will contribute to more accurate systems biology views of asthma and allergy. PMID:25468194

  17. Systems biology of asthma and allergic diseases: a multiscale approach.

    PubMed

    Bunyavanich, Supinda; Schadt, Eric E

    2015-01-01

    Systems biology is an approach to understanding living systems that focuses on modeling diverse types of high-dimensional interactions to develop a more comprehensive understanding of complex phenotypes manifested by the system. High-throughput molecular, cellular, and physiologic profiling of populations is coupled with bioinformatic and computational techniques to identify new functional roles for genes, regulatory elements, and metabolites in the context of the molecular networks that define biological processes associated with system physiology. Given the complexity and heterogeneity of asthma and allergic diseases, a systems biology approach is attractive, as it has the potential to model the myriad connections and interdependencies between genetic predisposition, environmental perturbations, regulatory intermediaries, and molecular sequelae that ultimately lead to diverse disease phenotypes and treatment responses across individuals. The increasing availability of high-throughput technologies has enabled system-wide profiling of the genome, transcriptome, epigenome, microbiome, and metabolome, providing fodder for systems biology approaches to examine asthma and allergy at a more holistic level. In this article we review the technologies and approaches for system-wide profiling, as well as their more recent applications to asthma and allergy. We discuss approaches for integrating multiscale data through network analyses and provide perspective on how individually captured health profiles will contribute to more accurate systems biology views of asthma and allergy.

  18. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    NASA Astrophysics Data System (ADS)

    Kovalenko, Andriy

    2014-08-01

    enables rational design of CNC-based bionanocomposite materials and systems. Furthermore, the 3D-RISM-KH based multiscale modeling addresses the effect of hemicellulose and lignin composition on nanoscale forces that control cell wall strength towards overcoming plant biomass recalcitrance. It reveals molecular forces maintaining the cell wall structure and provides directions for genetic modulation of plants and pretreatment design to render biomass more amenable to processing. We envision integrated biomass valorization based on extracting and decomposing the non-cellulosic components to low molecular weight chemicals and utilizing the cellulose microfibrils to make CNC. This is an important alternative to approaches of full conversion of lignocellulose to biofuels that face challenges arising from the deleterious impact of cellulose crystallinity on enzymatic processing.

  19. Cancer systems biology and modeling: microscopic scale and multiscale approaches.

    PubMed

    Masoudi-Nejad, Ali; Bidkhori, Gholamreza; Hosseini Ashtiani, Saman; Najafi, Ali; Bozorgmehr, Joseph H; Wang, Edwin

    2015-02-01

    Cancer has become known as a complex and systematic disease on macroscopic, mesoscopic and microscopic scales. Systems biology employs state-of-the-art computational theories and high-throughput experimental data to model and simulate complex biological procedures such as cancer, which involves genetic and epigenetic, in addition to intracellular and extracellular complex interaction networks. In this paper, different systems biology modeling techniques such as systems of differential equations, stochastic methods, Boolean networks, Petri nets, cellular automata methods and agent-based systems are concisely discussed. We have compared the mentioned formalisms and tried to address the span of applicability they can bear on emerging cancer modeling and simulation approaches. Different scales of cancer modeling, namely, microscopic, mesoscopic and macroscopic scales are explained followed by an illustration of angiogenesis in microscopic scale of the cancer modeling. Then, the modeling of cancer cell proliferation and survival are examined on a microscopic scale and the modeling of multiscale tumor growth is explained along with its advantages.

  20. Magnetospheric Multiscale Instrument Suite Operations and Data System

    NASA Astrophysics Data System (ADS)

    Baker, D. N.; Riesberg, L.; Pankratz, C. K.; Panneton, R. S.; Giles, B. L.; Wilder, F. D.; Ergun, R. E.

    2016-03-01

    The four Magnetospheric Multiscale (MMS) spacecraft will collect a combined volume of ˜100 gigabits per day of particle and field data. On average, only 4 gigabits of that volume can be transmitted to the ground. To maximize the scientific value of each transmitted data segment, MMS has developed the Science Operations Center (SOC) to manage science operations, instrument operations, and selection, downlink, distribution, and archiving of MMS science data sets. The SOC is managed by the Laboratory for Atmospheric and Space Physics (LASP) in Boulder, Colorado and serves as the primary point of contact for community participation in the mission. MMS instrument teams conduct their operations through the SOC, and utilize the SOC's Science Data Center (SDC) for data management and distribution. The SOC provides a single mission data archive for the housekeeping and science data, calibration data, ephemerides, attitude and other ancillary data needed to support the scientific use and interpretation. All levels of data products will reside at and be publicly disseminated from the SDC. Documentation and metadata describing data products, algorithms, instrument calibrations, validation, and data quality will be provided. Arguably, the most important innovation developed by the SOC is the MMS burst data management and selection system. With nested automation and "Scientist-in-the-Loop" (SITL) processes, these systems are designed to maximize the value of the burst data by prioritizing the data segments selected for transmission to the ground. This paper describes the MMS science operations approach, processes and data systems, including the burst system and the SITL concept.

  1. Design and application of a generic clinical decision support system for multiscale data.

    PubMed

    Mattila, Jussi; Koikkalainen, Juha; Virkki, Arho; van Gils, Mark; Lötjönen, Jyrki

    2012-01-01

    Medical research and clinical practice are currently being redefined by the constantly increasing amounts of multiscale patient data. New methods are needed to translate them into knowledge that is applicable in healthcare. Multiscale modeling has emerged as a way to describe systems that are the source of experimental data. Usually, a multiscale model is built by combining distinct models of several scales, integrating, e.g., genetic, molecular, structural, and neuropsychological models into a composite representation. We present a novel generic clinical decision support system, which models a patient's disease state statistically from heterogeneous multiscale data. Its goal is to aid in diagnostic work by analyzing all available patient data and highlighting the relevant information to the clinician. The system is evaluated by applying it to several medical datasets and demonstrated by implementing a novel clinical decision support tool for early prediction of Alzheimer's disease.

  2. Testing multi-scale processing in the auditory system

    PubMed Central

    Teng, Xiangbin; Tian, Xing; Poeppel, David

    2016-01-01

    Natural sounds contain information on multiple timescales, so the auditory system must analyze and integrate acoustic information on those different scales to extract behaviorally relevant information. However, this multi-scale process in the auditory system is not widely investigated in the literature, and existing models of temporal integration are mainly built upon detection or recognition tasks on a single timescale. Here we use a paradigm requiring processing on relatively ‘local’ and ‘global’ scales and provide evidence suggesting that the auditory system extracts fine-detail acoustic information using short temporal windows and uses long temporal windows to abstract global acoustic patterns. Behavioral task performance that requires processing fine-detail information does not improve with longer stimulus length, contrary to predictions of previous temporal integration models such as the multiple-looks and the spectro-temporal excitation pattern model. Moreover, the perceptual construction of putatively ‘unitary’ auditory events requires more than hundreds of milliseconds. These findings support the hypothesis of a dual-scale processing likely implemented in the auditory cortex. PMID:27713546

  3. A Goddard Multi-Scale Modeling System with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2010-01-01

    A multi-scale modeling system with unified physics has been developed at NASA Goddard Space Flight Center (GSFC). The system consists of an MMF, the coupled NASA Goddard finite-volume GCM (fvGCM) and Goddard Cumulus Ensemble model (GCE, a CRM); the state-of-the-art Weather Research and Forecasting model (WRF) and the stand alone GCE. These models can share the same microphysical schemes, radiation (including explicitly calculated cloud optical properties), and surface models that have been developed, improved and tested for different environments. In this talk, I will present: (1) A brief review on GCE model and its applications on the impact of the aerosol on deep precipitation processes, (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications). We are also performing the inline tracer calculation to comprehend the physical processes (i.e., boundary layer and each quadrant in the boundary layer) related to the development and structure of hurricanes and mesoscale convective systems. In addition, high - resolution (spatial. 2km, and temporal, I minute) visualization showing the model results will be presented.

  4. A Goddard Multi-Scale Modeling System with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2010-01-01

    A multi-scale modeling system with unified physics has been developed at NASA Goddard Space Flight Center (GSFC). The system consists of an MMF, the coupled NASA Goddard finite-volume GCM (fvGCM) and Goddard Cumulus Ensemble model (GCE, a CRM); the state-of-the-art Weather Research and Forecasting model (WRF) and the stand alone GCE. These models can share the same microphysical schemes, radiation (including explicitly calculated cloud optical properties), and surface models that have been developed, improved and tested for different environments. In this talk, I will present: (1) A brief review on GCE model and its applications on the impact of the aerosol on deep precipitation processes, (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications). We are also performing the inline tracer calculation to comprehend the ph ysical processes (i.e., boundary layer and each quadrant in the boundary layer) related to the development and structure of hurricanes and mesoscale convective systems.

  5. Linear theory for filtering nonlinear multiscale systems with model error

    PubMed Central

    Berry, Tyrus; Harlim, John

    2014-01-01

    In this paper, we study filtering of multiscale dynamical systems with model error arising from limitations in resolving the smaller scale processes. In particular, the analysis assumes the availability of continuous-time noisy observations of all components of the slow variables. Mathematically, this paper presents new results on higher order asymptotic expansion of the first two moments of a conditional measure. In particular, we are interested in the application of filtering multiscale problems in which the conditional distribution is defined over the slow variables, given noisy observation of the slow variables alone. From the mathematical analysis, we learn that for a continuous time linear model with Gaussian noise, there exists a unique choice of parameters in a linear reduced model for the slow variables which gives the optimal filtering when only the slow variables are observed. Moreover, these parameters simultaneously give the optimal equilibrium statistical estimates of the underlying system, and as a consequence they can be estimated offline from the equilibrium statistics of the true signal. By examining a nonlinear test model, we show that the linear theory extends in this non-Gaussian, nonlinear configuration as long as we know the optimal stochastic parametrization and the correct observation model. However, when the stochastic parametrization model is inappropriate, parameters chosen for good filter performance may give poor equilibrium statistical estimates and vice versa; this finding is based on analytical and numerical results on our nonlinear test model and the two-layer Lorenz-96 model. Finally, even when the correct stochastic ansatz is given, it is imperative to estimate the parameters simultaneously and to account for the nonlinear feedback of the stochastic parameters into the reduced filter estimates. In numerical experiments on the two-layer Lorenz-96 model, we find that the parameters estimated online, as part of a filtering procedure

  6. Software Integration in Multi-scale Simulations: the PUPIL System

    NASA Astrophysics Data System (ADS)

    Torras, J.; Deumens, E.; Trickey, S. B.

    2006-10-01

    The state of the art for computational tools in both computational chemistry and computational materials physics includes many algorithms and functionalities which are implemented again and again. Several projects aim to reduce, eliminate, or avoid this problem. Most such efforts seem to be focused within a particular specialty, either quantum chemistry or materials physics. Multi-scale simulations, by their very nature however, cannot respect that specialization. In simulation of fracture, for example, the energy gradients that drive the molecular dynamics (MD) come from a quantum mechanical treatment that most often derives from quantum chemistry. That “QM” region is linked to a surrounding “CM” region in which potentials yield the forces. The approach therefore requires the integration or at least inter-operation of quantum chemistry and materials physics algorithms. The same problem occurs in “QM/MM” simulations in computational biology. The challenge grows if pattern recognition or other analysis codes of some kind must be used as well. The most common mode of inter-operation is user intervention: codes are modified as needed and data files are managed “by hand” by the user (interactively and via shell scripts). User intervention is however inefficient by nature, difficult to transfer to the community, and prone to error. Some progress (e.g Sethna’s work at Cornell [C.R. Myers et al., Mat. Res. Soc. Symp. Proc., 538(1999) 509, C.-S. Chen et al., Poster presented at the Material Research Society Meeting (2000)]) has been made on using Python scripts to achieve a more efficient level of interoperation. In this communication we present an alternative approach to merging current working packages without the necessity of major recoding and with only a relatively light wrapper interface. The scheme supports communication among the different components required for a given multi-scale calculation and access to the functionalities of those components

  7. Knowledge based system for runtime controlling of multiscale model of ion-exchange solvent extraction

    NASA Astrophysics Data System (ADS)

    Macioł, Piotr; Gotfryd, Leszek; Macioł, Andrzej

    2012-09-01

    The hereby paper concerns the issue of solution of runtime controlling of multiscale model of ion-exchange solvent extraction. It is based on cooperation of a framework applying Agile Multiscale Modeling Methodology (AM3), and the REBIT Knowledge Based System. Ion-exchange solvent extraction has been shortly introduced. Design assumptions of AM3 and theoretical basis of REBIT have been described. Designed workflows and rules for simple laminar/ turbulent flow and extraction processes have been shown.

  8. Intrinsic Multi-Scale Dynamic Behaviors of Complex Financial Systems.

    PubMed

    Ouyang, Fang-Yan; Zheng, Bo; Jiang, Xiong-Fei

    2015-01-01

    The empirical mode decomposition is applied to analyze the intrinsic multi-scale dynamic behaviors of complex financial systems. In this approach, the time series of the price returns of each stock is decomposed into a small number of intrinsic mode functions, which represent the price motion from high frequency to low frequency. These intrinsic mode functions are then grouped into three modes, i.e., the fast mode, medium mode and slow mode. The probability distribution of returns and auto-correlation of volatilities for the fast and medium modes exhibit similar behaviors as those of the full time series, i.e., these characteristics are rather robust in multi time scale. However, the cross-correlation between individual stocks and the return-volatility correlation are time scale dependent. The structure of business sectors is mainly governed by the fast mode when returns are sampled at a couple of days, while by the medium mode when returns are sampled at dozens of days. More importantly, the leverage and anti-leverage effects are dominated by the medium mode. PMID:26427063

  9. Intrinsic Multi-Scale Dynamic Behaviors of Complex Financial Systems

    PubMed Central

    Ouyang, Fang-Yan; Zheng, Bo; Jiang, Xiong-Fei

    2015-01-01

    The empirical mode decomposition is applied to analyze the intrinsic multi-scale dynamic behaviors of complex financial systems. In this approach, the time series of the price returns of each stock is decomposed into a small number of intrinsic mode functions, which represent the price motion from high frequency to low frequency. These intrinsic mode functions are then grouped into three modes, i.e., the fast mode, medium mode and slow mode. The probability distribution of returns and auto-correlation of volatilities for the fast and medium modes exhibit similar behaviors as those of the full time series, i.e., these characteristics are rather robust in multi time scale. However, the cross-correlation between individual stocks and the return-volatility correlation are time scale dependent. The structure of business sectors is mainly governed by the fast mode when returns are sampled at a couple of days, while by the medium mode when returns are sampled at dozens of days. More importantly, the leverage and anti-leverage effects are dominated by the medium mode. PMID:26427063

  10. Ultrafine cementitious grout

    DOEpatents

    Ahrens, Ernst H.

    1998-01-01

    An ultrafine cementitious grout having a particle size 90% of which are less than 6 .mu.m in diameter and an average size of about 2.5 .mu.m or less, and preferably 90% of which are less than 5 .mu.m in diameter and an average size of about 2 .mu.m or less containing Portland cement, pumice as a pozzolanic material and superplasticizer in the amounts of about 40 wt. % to about 50 wt. % Portland cement; from about 50 wt. % to about 60 wt. % pumice containing at least 60% amorphous silicon dioxide; and from 0.1 wt. % to about 1.5 wt. % superplasticizer. The grout is mixed with water in the W/CM ratio of about 0.4-0.6/1. The grout has very high strength and very low permeability with good workability. The ultrafine particle sizes allow for sealing of microfractures below 10 .mu.m in width.

  11. Ultrafine cementitious grout

    DOEpatents

    Ahrens, Ernst H.

    1999-01-01

    An ultrafine cementitious grout in three particle grades containing Portland cement, pumice as a pozzolanic material and superplasticizer in the amounts of about 30 wt. % to about 70 wt. % Portland cement; from about 30 wt. % to about 70 wt. % pumice containing at least 70% amorphous silicon dioxide; and from 1.2 wt. % to about 5.0 wt. % superplasticizer. The superplasticizer is dispersed in the mixing water prior to the addition of dry grout and the W/CM ratio is about 0.4 to 1/1. The grout has very high strength and very low permeability with good workability. The ultrafine particle sizes allow for sealing of microfractures below 10 .mu.m in width.

  12. Ultrafine cementitious grout

    SciTech Connect

    Ahrens, E.H.

    1999-10-19

    An ultrafine cementitious grout in three particle grades containing Portland cement, pumice as a pozzolanic material and superplasticizer in the amounts of about 30 wt. % to about 70 wt. % Portland cement; from about 30 wt. % to about 70 wt. % pumice containing at least 70% amorphous silicon dioxide; and from 1.2 wt. % to about 5.0 wt. % superplasticizer. The superplasticizer is dispersed in the mixing water prior to the addition of dry grout and the W/CM ratio is about 0.4 to 1/1. The grout has very high strength and very low permeability with good workability. The ultrafine particle sizes allow for sealing of microfractures below 10 {mu}m in width.

  13. Tuneable resolution as a systems biology approach for multi-scale, multi-compartment computational models.

    PubMed

    Kirschner, Denise E; Hunt, C Anthony; Marino, Simeone; Fallahi-Sichani, Mohammad; Linderman, Jennifer J

    2014-01-01

    The use of multi-scale mathematical and computational models to study complex biological processes is becoming increasingly productive. Multi-scale models span a range of spatial and/or temporal scales and can encompass multi-compartment (e.g., multi-organ) models. Modeling advances are enabling virtual experiments to explore and answer questions that are problematic to address in the wet-lab. Wet-lab experimental technologies now allow scientists to observe, measure, record, and analyze experiments focusing on different system aspects at a variety of biological scales. We need the technical ability to mirror that same flexibility in virtual experiments using multi-scale models. Here we present a new approach, tuneable resolution, which can begin providing that flexibility. Tuneable resolution involves fine- or coarse-graining existing multi-scale models at the user's discretion, allowing adjustment of the level of resolution specific to a question, an experiment, or a scale of interest. Tuneable resolution expands options for revising and validating mechanistic multi-scale models, can extend the longevity of multi-scale models, and may increase computational efficiency. The tuneable resolution approach can be applied to many model types, including differential equation, agent-based, and hybrid models. We demonstrate our tuneable resolution ideas with examples relevant to infectious disease modeling, illustrating key principles at work.

  14. A multi-scale approach for macromolecular systems

    NASA Astrophysics Data System (ADS)

    Matysiak, Silvina

    Understanding biomolecular dynamics at different time and length scales is key to solving major problems in molecular biology and physical-chemistry. Because of the multiple scales that intrinsically coexist in biological macromolecules, the field has evolved through different paths, each focusing on different fixed resolutions. This thesis focuses on developing realistic models to describe complex biomolecular land-scapes at the mesoscale level, and a procedure to bridge different levels of molecular description for liquid water. Toward this goal, we have proposed a realistic coarse-grained protein model and a technique to incorporate experimental data into the model to examine the long time-scale phenomenon of protein folding/misfolding. We have shown that simulations with this simplified protein representation can be used as a predictive tool for misfolding and aggregation of proteins. Moreover, we have developed a coarse-grained model and an analytical theory to study another long time-scale phenomenon in biology: the translocation of DNA and RNA through nanopores. We have shown that our approach to the translocation process reproduces quantitatively, for the first time, all the experimentally observed trends and scaling behaviour, and provides insight into the different regimes present in the system. Modeling explicit water is crucial for realistic biomolecular simulations, but is typically not computationally feasible. To overcome the computational impasse, we have proposed a coarse-grained water model that can reproduce remarkably well the behaviour of liquid water at physiological conditions, and a spatially adaptive procedure to change the molecular resolution of water on-the-fly from a coarse-grained to an all-atom representation. This adaptive multi-scale approach bridges the gap between the time and length scales accessible to simulations without losing atomistic detail on physically relevant regions.

  15. Multiscale modeling in nanostructures: Physical and biological systems

    NASA Astrophysics Data System (ADS)

    Dearden, Albert Karcz

    With the advent of more powerful computer systems, theoretical modeling of nanoscale systems has quickly become a vital part of scientific research in a multitude of disciplines. From the understanding of semiconductor devices to describing the mechanistic details of protein interactions, theoretical studies on systems of various scales have provided great insight into how nature behaves in each scenario. While at a macroscopic level the differences between biological and non-biological systems are apparent, the underlying principles that dictate their behavior are quite similar. Indeed, modeling these two distinct classes of systems have similar challenges. In both cases, the system sizes typically correspond to nanometer length scales and due to the lack of periodicity in the system, one needs to study a relatively larger number of atoms in simulations in order to represent their behavior. Nonetheless, systems that are much smaller than what exists in experiment may be used to describe specific properties of interest, such as how system stability scales with varying size or describing a reaction process of a large biological structure through the modeling of only the reaction site and not the entire protein. Thus, it is important to be able to correctly and efficiently model various systems at multiple scales in order to provide proper insight and understanding so models and tools developed in one area could be applied to another discipline. Indeed, lessons learned during the process are quite valuable for the general scheme of multiscale modeling in materials. To facilitate this, we have investigated two separate cases involving the efficient use of multiscale modeling through ab initio density functional theory calculations. For the first half of this work, we investigate the effect of size on the net magnetization of zero dimensional graphene based structures with differing edge states. Currently, we have shown that for zigzag edged triangular graphene

  16. Ultrafine cementitious grout

    DOEpatents

    Ahrens, E.H.

    1998-07-07

    An ultrafine cementitious grout is described having a particle size 90% of which are less than 6 {micro}m in diameter and an average size of about 2.5 {micro}m or less, and preferably 90% of which are less than 5 {micro}m in diameter and an average size of about 2 {micro}m or less containing Portland cement, pumice as a pozzolanic material and superplasticizer in the amounts of about 40 wt. % to about 50 wt. % Portland cement; from about 50 wt. % to about 60 wt. % pumice containing at least 60% amorphous silicon dioxide; and from 0.1 wt. % to about 1.5 wt. % superplasticizer. The grout is mixed with water in the W/CM ratio of about 0.4--0.6/1. The grout has very high strength and very low permeability with good workability. The ultrafine particle sizes allow for sealing of microfractures below 10 {micro}m in width. 4 figs.

  17. Industrial process system assessment: bridging process engineering and life cycle assessment through multiscale modeling.

    EPA Science Inventory

    The Industrial Process System Assessment (IPSA) methodology is a multiple step allocation approach for connecting information from the production line level up to the facility level and vice versa using a multiscale model of process systems. The allocation procedure assigns inpu...

  18. From molecular systems to continuum solids: A multiscale structure and dynamics

    NASA Astrophysics Data System (ADS)

    Tong, Qi; Li, Shaofan

    2015-08-01

    We propose a concurrent multiscale molecular dynamics for molecular systems in order to apply macroscale mechanical boundary conditions such as traction and average displacement for solid state materials, which is difficult to do in traditional molecular dynamics where boundary conditions are applied in terms of forces and displacements on selected particles. The multiscale model is systematically constructed in terms of multiscale structures of kinematics, force field, and dynamical equations. The idea is to extend the Anderson-Parrinello-Rahman molecular dynamics to the cases that have arbitrary finite domain and boundary, thus the model is capable of solving inhomogeneous, non-equilibrium problems. The macroscale stress loading on a representative volume element with periodic boundary condition is generalized to all kinds of macroscale mechanical boundary conditions. Unlike most multiscale techniques, our theory is aimed at understanding fundamental physics rather than achieving computing efficiency. Examples of problems with prescribed average displacements and surface tractions are presented to demonstrate the validity of the proposed multiscale molecular dynamics.

  19. The Cementitious Barriers Partnership (CBP) Software Toolbox Capabilities In Assessing The Degradation Of Cementitious Barriers

    SciTech Connect

    Flach, G. P.; Burns, H. H.; Langton, C.; Smith, F. G. III; Brown, K. G.; Kosson, D. S.; Garrabrants, A. C.; Sarkar, S.; van der Sloot, H.; Meeussen, J. C.L.; Samson, E.; Mallick, P.; Suttora, L.; Esh, D. W.; Fuhrmann, M. J.; Philip, J.

    2013-01-11

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste and Nuclear Materials Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to 100 years and longer for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox has produced tangible benefits to the DOE Performance Assessment (PA) community. A review of prior DOE PAs has provided a list of potential opportunities for improving cementitious barrier performance predictions through the use of the CBP software tools. These opportunities include: 1) impact of atmospheric exposure to concrete and grout before closure, such as accelerated slag and Tc-99 oxidation, 2) prediction of changes in Kd/mobility as a function of time that result from changing pH and redox conditions, 3) concrete degradation from rebar corrosion due to carbonation, 4) early age cracking from drying and/or thermal shrinkage and 5) degradation due to sulfate attack. The CBP has already had opportunity to provide near-term, tangible support to ongoing DOE-EM PAs such as the Savannah River Saltstone Disposal Facility (SDF) by providing a sulfate attack analysis that predicts the extent and damage that sulfate ingress will have on the concrete vaults over extended time (i.e., > 1000 years). This analysis is one of the many technical opportunities in cementitious barrier performance that can be addressed by the DOE-EM sponsored CBP software

  20. ONE-ATMOSPHERE DYNAMICS DESCRIPTION IN THE MODELS-3 COMMUNITY MULTI-SCALE QUALITY (CMAQ) MODELING SYSTEM

    EPA Science Inventory

    This paper proposes a general procedure to link meteorological data with air quality models, such as U.S. EPA's Models-3 Community Multi-scale Air Quality (CMAQ) modeling system. CMAQ is intended to be used for studying multi-scale (urban and regional) and multi-pollutant (ozon...

  1. Using Multi-scale Modeling Systems to Study the Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2007-01-01

    Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 km, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (CRM), (2) a regional scale model, (3) a coupled CRM and global model, and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer processes and the explicit cloud-radiation, and cloudland surface interactive processes are applied in this multi-scale modeling system. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols will be presented.

  2. Incremental Testing of the Community Multiscale Air Quality (CMAQ) Modeling System Version 4.7

    EPA Science Inventory

    This paper describes the scientific and structural updates to the latest release of the Community Multiscale Air Quality (CMAQ) modeling system version 4.7 (v4.7) and points the reader to additional resources for further details. The model updates were evaluated relative to obse...

  3. Microphysics in the Multi-Scale Modeling Systems with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

    2011-01-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the microphysics developments of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the heavy precipitation processes will be presented.

  4. Using Multi-Scale Modeling Systems to Study the Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2010-01-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.

  5. Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei--Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

    2010-01-01

    In recent years, exponentially increasing computer power extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 sq km in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale models can be run in grid size similar to cloud resolving models through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model). (2) a regional scale model (a NASA unified weather research and forecast, W8F). (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling systems to study the interactions between clouds, precipitation, and aerosols will be presented. Also how to use the multi-satellite simulator to improve precipitation processes will be discussed.

  6. Magnetospheric Multiscale (MMS) Mission Attitude Ground System Design

    NASA Technical Reports Server (NTRS)

    Sedlak, Joseph E.; Superfin, Emil; Raymond, Juan C.

    2010-01-01

    This paper describes the attitude ground system (AGS) design to be used for support of the Magnetospheric MultiScale (MMS) mission. The AGS exists as one component of the mission operations control center. It has responsibility for validating the onboard attitude and accelerometer bias estimates, calibrating the attitude sensors and the spacecraft inertia tensor, and generating a definitive attitude history for use by the science teams. NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland is responsible for developing the MMS spacecraft, for the overall management of the MMS mission, and for mission operations. MMS is scheduled for launch in 2014 for a planned two-year mission. The MMS mission consists of four identical spacecraft flying in a tetrahedral formation in an eccentric Earth orbit. The relatively tight formation, ranging from 10 to 400 km, will provide coordinated observations giving insight into small-scale magnetic field reconnection processes. By varying the size of the tetrahedron and the orbital semi-major axis and eccentricity, and making use of the changing solar phase, this geometry allows for the study of both bow shock and magnetotail plasma physics, including acceleration, reconnection, and turbulence. The mission divides into two phases for science; these phases will have orbit dimensions of 1.2 x 12 Earth radii in the first phase and 1.2x25 Earth radii in the second in order to study the dayside magnetopause and the nightside magnetotail, respectively. The orbital periods are roughly one day and three days for the two mission phases. Each of the four MMS spacecraft will be spin stabilized at 3 revolutions per minute (rpm), with the spin axis oriented near the ecliptic north pole but tipped approximately 2.5 deg towards the Sun line. The main body of each spacecraft will be an eight-sided platform with diameter of 3.4 m and height of 1.2 m. Several booms are attached to this central core: two axial booms of 14.9 m length, two

  7. Efficient Integration of Coupled Electrical-Chemical Systems in Multiscale Neuronal Simulations.

    PubMed

    Brocke, Ekaterina; Bhalla, Upinder S; Djurfeldt, Mikael; Hellgren Kotaleski, Jeanette; Hanke, Michael

    2016-01-01

    Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. First, the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. Then, the components can be defined by different mathematical formalisms. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, in neuroscience, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components comprising a multiscale test problem in neuroscience. We introduce an efficient coupling method based on the second-order backward differentiation formula (BDF2) numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000). The method shows a significant advantage over conventional fixed step size solvers used in neuroscience for similar problems. We explore different

  8. Efficient Integration of Coupled Electrical-Chemical Systems in Multiscale Neuronal Simulations

    PubMed Central

    Brocke, Ekaterina; Bhalla, Upinder S.; Djurfeldt, Mikael; Hellgren Kotaleski, Jeanette; Hanke, Michael

    2016-01-01

    Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. First, the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. Then, the components can be defined by different mathematical formalisms. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, in neuroscience, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components comprising a multiscale test problem in neuroscience. We introduce an efficient coupling method based on the second-order backward differentiation formula (BDF2) numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000). The method shows a significant advantage over conventional fixed step size solvers used in neuroscience for similar problems. We explore different

  9. Efficient Integration of Coupled Electrical-Chemical Systems in Multiscale Neuronal Simulations.

    PubMed

    Brocke, Ekaterina; Bhalla, Upinder S; Djurfeldt, Mikael; Hellgren Kotaleski, Jeanette; Hanke, Michael

    2016-01-01

    Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. First, the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. Then, the components can be defined by different mathematical formalisms. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, in neuroscience, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components comprising a multiscale test problem in neuroscience. We introduce an efficient coupling method based on the second-order backward differentiation formula (BDF2) numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000). The method shows a significant advantage over conventional fixed step size solvers used in neuroscience for similar problems. We explore different

  10. Efficient Integration of Coupled Electrical-Chemical Systems in Multiscale Neuronal Simulations

    PubMed Central

    Brocke, Ekaterina; Bhalla, Upinder S.; Djurfeldt, Mikael; Hellgren Kotaleski, Jeanette; Hanke, Michael

    2016-01-01

    Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. First, the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. Then, the components can be defined by different mathematical formalisms. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, in neuroscience, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components comprising a multiscale test problem in neuroscience. We introduce an efficient coupling method based on the second-order backward differentiation formula (BDF2) numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000). The method shows a significant advantage over conventional fixed step size solvers used in neuroscience for similar problems. We explore different

  11. Self-degradable Cementitious Sealing Materials

    SciTech Connect

    Sugama, T.; Butcher, T., Lance Brothers, Bour, D.

    2010-10-01

    A self-degradable alkali-activated cementitious material consisting of a sodium silicate activator, slag, Class C fly ash, and sodium carboxymethyl cellulose (CMC) additive was formulated as one dry mix component, and we evaluated its potential in laboratory for use as a temporary sealing material for Enhanced Geothermal System (EGS) wells. The self-degradation of alkali-activated cementitious material (AACM) occurred, when AACM heated at temperatures of {ge}200 C came in contact with water. We interpreted the mechanism of this water-initiated self-degradation as resulting from the in-situ exothermic reactions between the reactants yielded from the dissolution of the non-reacted or partially reacted sodium silicate activator and the thermal degradation of the CMC. The magnitude of self-degradation depended on the CMC content; its effective content in promoting degradation was {ge}0.7%. In contrast, no self-degradation was observed from CMC-modified Class G well cement. For 200 C-autoclaved AACMs without CMC, followed by heating at temperatures up to 300 C, they had a compressive strength ranging from 5982 to 4945 psi, which is {approx}3.5-fold higher than that of the commercial Class G well cement; the initial- and final-setting times of this AACM slurry at 85 C were {approx}60 and {approx}90 min. Two well-formed crystalline hydration phases, 1.1 nm tobermorite and calcium silicate hydrate (I), were responsible for developing this excellent high compressive strength. Although CMC is an attractive, as a degradation-promoting additive, its addition to both the AACM and the Class G well cement altered some properties of original cementitious materials; among those were an extending their setting times, an increasing their porosity, and lowering their compressive strength. Nevertheless, a 0.7% CMC-modified AACM as self-degradable cementitious material displayed the following properties before its breakdown by water; {approx}120 min initial- and {approx}180 min final

  12. Anatomy and Physiology of Multiscale Modeling and Simulation in Systems Medicine.

    PubMed

    Mizeranschi, Alexandru; Groen, Derek; Borgdorff, Joris; Hoekstra, Alfons G; Chopard, Bastien; Dubitzky, Werner

    2016-01-01

    Systems medicine is the application of systems biology concepts, methods, and tools to medical research and practice. It aims to integrate data and knowledge from different disciplines into biomedical models and simulations for the understanding, prevention, cure, and management of complex diseases. Complex diseases arise from the interactions among disease-influencing factors across multiple levels of biological organization from the environment to molecules. To tackle the enormous challenges posed by complex diseases, we need a modeling and simulation framework capable of capturing and integrating information originating from multiple spatiotemporal and organizational scales. Multiscale modeling and simulation in systems medicine is an emerging methodology and discipline that has already demonstrated its potential in becoming this framework. The aim of this chapter is to present some of the main concepts, requirements, and challenges of multiscale modeling and simulation in systems medicine.

  13. Analysis of Graphite-Reinforced Cementitious Composites

    NASA Technical Reports Server (NTRS)

    Vaughan, R. E.

    2002-01-01

    Strategically embedding graphite meshes in a compliant cementitious matrix produces a composite material with relatively high tension and compressive properties as compared to steel-reinforced structures fabricated from a standard concrete mix. Although these composite systems are somewhat similar, the methods used to analyze steel-reinforced composites often fail to characterize the behavior of their more advanced graphite-reinforced counterparts. This Technical Memorandum describes some of the analytical methods being developed to determine the deflections and stresses in graphite-reinforced cementitious composites. It is initially demonstrated that the standard transform section method fails to provide accurate results when the elastic moduli ratio exceeds 20. An alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach. When the effective material properties are used to characterize the deflections of composite beams subjected to pure bending, an excellent agreement is obtained. Laminated composite plate theory is investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed using the laminated composite plate theory with material properties established from tensile tests. Then, finite element modeling is used to verify the results. Considering the complexity of the samples, a very good agreement is obtained.

  14. Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

    NASA Technical Reports Server (NTRS)

    Frankland, S. J. V.; Riddick, J. C.; Gates, T. S.

    2005-01-01

    A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

  15. Method for the production of cementitious compositions and aggregate derivatives from said compositions

    DOEpatents

    Minnick, L. John

    1981-01-01

    Method for the production of cementitious compositions and aggregate derivatives of said compositions, and cementitious compositions and aggregates produced by said method, wherein fluidized bed combustion residue and pozzolanic material, such as pulverized coal combustion system fly ash, are incorporated in a cementitious mix. The mix is cast into desired shape and cured. If desired, the shape may then be crushed so as to result in a fluidized bed combustion residue-fly ash aggregate material or the shape may be used by itself.

  16. REFERENCE CASES FOR USE IN THE CEMENTITIOUS BARRIERS PARTNERSHIP

    SciTech Connect

    Langton, C

    2009-01-06

    The Cementitious Barriers Project (CBP) is a multidisciplinary cross cutting project initiated by the US Department of Energy (DOE) to develop a reasonable and credible set of tools to improve understanding and prediction of the structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. The period of performance is >100 years for operating facilities and > 1000 years for waste management. The CBP has defined a set of reference cases to provide the following functions: (1) a common set of system configurations to illustrate the methods and tools developed by the CBP, (2) a common basis for evaluating methodology for uncertainty characterization, (3) a common set of cases to develop a complete set of parameter and changes in parameters as a function of time and changing conditions, and (4) a basis for experiments and model validation, and (5) a basis for improving conceptual models and reducing model uncertainties. These reference cases include the following two reference disposal units and a reference storage unit: (1) a cementitious low activity waste form in a reinforced concrete disposal vault, (2) a concrete vault containing a steel high-level waste tank filled with grout (closed high-level waste tank), and (3) a spent nuclear fuel basin during operation. Each case provides a different set of desired performance characteristics and interfaces between materials and with the environment. Examples of concretes, grout fills and a cementitious waste form are identified for the relevant reference case configurations.

  17. Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler)

    2002-01-01

    This document contains the proceedings of the Training Workshop on Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems held at NASA Langley Research Center, Hampton, Virginia, March 5 - 6, 2002. The workshop was jointly sponsored by Old Dominion University's Center for Advanced Engineering Environments and NASA. Workshop attendees were from NASA, other government agencies, industry, and universities. The objectives of the workshop were to give overviews of the diverse activities in hierarchical approach to material modeling from continuum to atomistics; applications of multiscale modeling to advanced and improved material synthesis; defects, dislocations, and material deformation; fracture and friction; thin-film growth; characterization at nano and micro scales; and, verification and validation of numerical simulations, and to identify their potential for future aerospace systems.

  18. Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

    2011-01-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the recent developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitating systems and hurricanes/typhoons will be presented. The high-resolution spatial and temporal visualization will be utilized to show the evolution of precipitation processes. Also how to

  19. Dynamic fracture behaviour in fibre-reinforced cementitious composites

    NASA Astrophysics Data System (ADS)

    Yu, Rena C.; Cifuentes, Héctor; Rivero, Ignacio; Ruiz, Gonzalo; Zhang, Xiaoxin

    2016-08-01

    The object of this work is to simulate the dynamic fracture propagation in fibre-reinforced cementitious composites, in particular, in steel fibre reinforced concrete (SFRC). Beams loaded in a three-point bend configuration through a drop-weight impact device are considered. A single cohesive crack is assumed to propagate at the middle section; the opening of this crack is governed by a rate-dependent cohesive law; the fibres around the fracture plane are explicitly represented through truss elements. The fibre pull-out behaviour is depicted by an equivalent constitutive law, which is obtained from an analytical load-slip curve. The obtained load-displacement curves and crack propagation velocities are compared with their experimental counterparts. The good agreement with experimental data testifies to the feasibility of the proposed methodology and paves the way to its application in a multi-scale framework.

  20. Sustainable design and manufacturing of multifunctional polymer nanocomposite coatings: A multiscale systems approach

    NASA Astrophysics Data System (ADS)

    Xiao, Jie

    Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries. However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area. The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes. This research centers on the development of a comprehensive multiscale computational methodology and a computer-aided tool set that can facilitate multifunctional nanocoating design and application from novel function envisioning and idea refinement, to knowledge discovery and design solution derivation, and further to performance testing in industrial applications and life cycle analysis. The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales. Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled. The tight integration of different methods and theories at individual scales allows the prediction of macroscopic coating performance from the fundamental molecular behavior. Goal-oriented design is also pursued by integrating additional methods for bio-inspired dynamic optimization and computational task management that can be implemented in a hierarchical computing architecture. Furthermore, multiscale systems methodologies are developed to achieve the best possible material application towards sustainable manufacturing. Automotive coating manufacturing, that involves paint spay and

  1. Monitoring early age cementitious materials using ultrasonic guided waves

    NASA Astrophysics Data System (ADS)

    Borgerson, Jacob L.

    The evaluation of early age concrete is critical for reducing construction times and ensuring quality. In this study, the use of ultrasonic guided waves for monitoring the development of early age cementitious materials is investigated. A torsional wave is transmitted and received through a waveguide that is embedded in early age mortar or concrete. As the cementitious material sets and hardens, the received wave(s) change, indicating the transition from a semifluid to a solid state. This thesis proposes two systems. The first system is a through-transmission system; a wave is transmitted on one end of an embedded waveguide using a sensor arrangement and then it is received on the opposite end of the rod with another sensor. This approach monitors the attenuation of the fundamental torsional wave mode, resulting from the leakage of energy from the cylindrical steel rod to the surrounding cementitious material. The evolution of the material's properties is related to the energy leakage or attenuation of the guided wave. The second system is a pulse-echo system; a wave is transmitted on one end of a partially embedded waveguide via a sensor arrangement that also receives the reflected signals. This approach monitors both the reflection from the end of the rod and the reflection from the point where the waveguide enters the material. The development of the cementitious material's mechanical properties is related to both the energy leaked into the surrounding material and the energy reflected at the point of entry. The ability of this method to only require access to one side of the specimen makes it attractive for monitoring early age cementitious materials in the field. Experiments were performed on mixtures with varying water-cement ratios (w/c = 0.40, 0.50, and 0.60), chemical admixtures (accelerant and retardant), mineral admixtures (silica fume and fly ash), and coarse aggregate (pea gravel). The time of setting and compressive strength of the various mixtures

  2. Diagnosing Disaster Resilience of Communities as Multi-scale Complex Socio-ecological Systems

    NASA Astrophysics Data System (ADS)

    Liu, Wei; Mochizuki, Junko; Keating, Adriana; Mechler, Reinhard; Williges, Keith; Hochrainer, Stefan

    2014-05-01

    Global environmental change, growing anthropogenic influence, and increasing globalisation of society have made it clear that disaster vulnerability and resilience of communities cannot be understood without knowledge on the broader social-ecological system in which they are embedded. We propose a framework for diagnosing community resilience to disasters, as a form of disturbance to social-ecological systems, with feedbacks from the local to the global scale. Inspired by iterative multi-scale analysis employed by Resilience Alliance, the related socio-ecological systems framework of Ostrom, and the sustainable livelihood framework, we developed a multi-tier framework for thinking of communities as multi-scale social-ecological systems and analyzing communities' disaster resilience and also general resilience. We highlight the cross-scale influences and feedbacks on communities that exist from lower (e.g., household) to higher (e.g., regional, national) scales. The conceptual framework is then applied to a real-world resilience assessment situation, to illustrate how key components of socio-ecological systems, including natural hazards, natural and man-made environment, and community capacities can be delineated and analyzed.

  3. Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems

    DOE PAGESBeta

    Adalsteinsson, Helgi; Debusschere, Bert J.; Long, Kevin R.; Najm, Habib N.

    2008-01-01

    Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C) multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-levelmore » dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.« less

  4. A unified double-loop multi-scale control strategy for NMP integrating-unstable systems

    NASA Astrophysics Data System (ADS)

    Seer, Qiu Han; Nandong, Jobrun

    2016-03-01

    This paper presents a new control strategy which unifies the direct and indirect multi-scale control schemes via a double-loop control structure. This unified control strategy is proposed for controlling a class of highly nonminimum-phase processes having both integrating and unstable modes. This type of systems is often encountered in fed-batch fermentation processes which are very difficult to stabilize via most of the existing well-established control strategies. A systematic design procedure is provided where its applicability is demonstrated via a numerical example.

  5. PUPIL: A Software Integration System for Multi-Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems.

    PubMed

    Torras, Juan; Roberts, Benjamin P; Seabra, Gustavo M; Trickey, Samuel B

    2015-01-01

    PUPIL (Program for User Package Interfacing and Linking) implements a distinctive multi-scale approach to hybrid quantum mechanical/molecular mechanical molecular dynamics (QM/MM-MD) simulations. Originally developed to interface different external programs for multi-scale simulation with applications in the materials sciences, PUPIL is finding increasing use in the study of complex biological systems. Advanced MD techniques from the external packages can be applied readily to a hybrid QM/MM treatment in which the forces and energy for the QM region can be computed by any of the QM methods available in any of the other external packages. Here, we give a survey of PUPIL design philosophy, main features, and key implementation decisions, with an orientation to biomolecular simulation. We discuss recently implemented features which enable highly realistic simulations of complex biological systems which have more than one active site that must be treated concurrently. Examples are given.

  6. Multi-Scale Molecular Deconstruction of the Serotonin Neuron System.

    PubMed

    Okaty, Benjamin W; Freret, Morgan E; Rood, Benjamin D; Brust, Rachael D; Hennessy, Morgan L; deBairos, Danielle; Kim, Jun Chul; Cook, Melloni N; Dymecki, Susan M

    2015-11-18

    Serotonergic (5HT) neurons modulate diverse behaviors and physiology and are implicated in distinct clinical disorders. Corresponding diversity in 5HT neuronal phenotypes is becoming apparent and is likely rooted in molecular differences, yet a comprehensive approach characterizing molecular variation across the 5HT system is lacking, as is concomitant linkage to cellular phenotypes. Here we combine intersectional fate mapping, neuron sorting, and genome-wide RNA-seq to deconstruct the mouse 5HT system at multiple levels of granularity-from anatomy, to genetic sublineages, to single neurons. Our unbiased analyses reveal principles underlying system organization, 5HT neuron subtypes, constellations of differentially expressed genes distinguishing subtypes, and predictions of subtype-specific functions. Using electrophysiology, subtype-specific neuron silencing, and conditional gene knockout, we show that these molecularly defined 5HT neuron subtypes are functionally distinct. Collectively, this resource classifies molecular diversity across the 5HT system and discovers sertonergic subtypes, markers, organizing principles, and subtype-specific functions with potential disease relevance.

  7. Integration of multiscale dendritic spine structure and function data into systems biology models

    PubMed Central

    Mancuso, James J.; Cheng, Jie; Yin, Zheng; Gilliam, Jared C.; Xia, Xiaofeng; Li, Xuping; Wong, Stephen T. C.

    2014-01-01

    Comprising 1011 neurons with 1014 synaptic connections the human brain is the ultimate systems biology puzzle. An increasing body of evidence highlights the observation that changes in brain function, both normal and pathological, consistently correlate with dynamic changes in neuronal anatomy. Anatomical changes occur on a full range of scales from the trafficking of individual proteins, to alterations in synaptic morphology both individually and on a systems level, to reductions in long distance connectivity and brain volume. The major sites of contact for synapsing neurons are dendritic spines, which provide an excellent metric for the number and strength of signaling connections between elements of functional neuronal circuits. A comprehensive model of anatomical changes and their functional consequences would be a holy grail for the field of systems neuroscience but its realization appears far on the horizon. Various imaging technologies have advanced to allow for multi-scale visualization of brain plasticity and pathology, but computational analysis of the big data sets involved forms the bottleneck toward the creation of multiscale models of brain structure and function. While a full accounting of techniques and progress toward a comprehensive model of brain anatomy and function is beyond the scope of this or any other single paper, this review serves to highlight the opportunities for analysis of neuronal spine anatomy and function provided by new imaging technologies and the high-throughput application of older technologies while surveying the strengths and weaknesses of currently available computational analytical tools and room for future improvement. PMID:25429262

  8. Dynamical systems with multiple long-delayed feedbacks: Multiscale analysis and spatiotemporal equivalence.

    PubMed

    Yanchuk, Serhiy; Giacomelli, Giovanni

    2015-10-01

    Dynamical systems with multiple, hierarchically long-delayed feedback are introduced and studied extending our previous work [Yanchuk and Giacomelli, Phys. Rev. Lett. 112, 174103 (2014)]. Focusing on the phenomenological model of a Stuart-Landau oscillator with two feedbacks, we show the multiscale properties of its dynamics and demonstrate them by means of a space-time representation. For sufficiently long delays, we derive a normal form describing the system close to the destabilization. The space and temporal variables, which are involved in the space-time representation, correspond to suitable time scales of the original system. The physical meaning of the results, together with the interpretation of the description at different scales, is presented and discussed. In particular, it is shown how this representation uncovers hidden multiscale patterns such as spirals or spatiotemporal chaos. The effect of the delay size and the features of the transition between small and large delays is also analyzed. Finally, we comment on the application of the method and on its extension to an arbitrary, but finite, number of delayed feedback terms. PMID:26565300

  9. Adapting to a changing environment: non-obvious thresholds in multi-scale systems.

    PubMed

    Perryman, Clare; Wieczorek, Sebastian

    2014-10-01

    Many natural and technological systems fail to adapt to changing external conditions and move to a different state if the conditions vary too fast. Such 'non-adiabatic' processes are ubiquitous, but little understood. We identify these processes with a new nonlinear phenomenon-an intricate threshold where a forced system fails to adiabatically follow a changing stable state. In systems with multiple time scales, we derive existence conditions that show such thresholds to be generic, but non-obvious, meaning they cannot be captured by traditional stability theory. Rather, the phenomenon can be analysed using concepts from modern singular perturbation theory: folded singularities and canard trajectories, including composite canards. Thus, non-obvious thresholds should explain the failure to adapt to a changing environment in a wide range of multi-scale systems including: tipping points in the climate system, regime shifts in ecosystems, excitability in nerve cells, adaptation failure in regulatory genes and adiabatic switching in technology. PMID:25294963

  10. Adapting to a changing environment: non-obvious thresholds in multi-scale systems

    PubMed Central

    Perryman, Clare; Wieczorek, Sebastian

    2014-01-01

    Many natural and technological systems fail to adapt to changing external conditions and move to a different state if the conditions vary too fast. Such ‘non-adiabatic’ processes are ubiquitous, but little understood. We identify these processes with a new nonlinear phenomenon—an intricate threshold where a forced system fails to adiabatically follow a changing stable state. In systems with multiple time scales, we derive existence conditions that show such thresholds to be generic, but non-obvious, meaning they cannot be captured by traditional stability theory. Rather, the phenomenon can be analysed using concepts from modern singular perturbation theory: folded singularities and canard trajectories, including composite canards. Thus, non-obvious thresholds should explain the failure to adapt to a changing environment in a wide range of multi-scale systems including: tipping points in the climate system, regime shifts in ecosystems, excitability in nerve cells, adaptation failure in regulatory genes and adiabatic switching in technology. PMID:25294963

  11. Multiscale mechanobiology: computational models for integrating molecules to multicellular systems

    PubMed Central

    Mak, Michael; Kim, Taeyoon

    2015-01-01

    Mechanical signals exist throughout the biological landscape. Across all scales, these signals, in the form of force, stiffness, and deformations, are generated and processed, resulting in an active mechanobiological circuit that controls many fundamental aspects of life, from protein unfolding and cytoskeletal remodeling to collective cell motions. The multiple scales and complex feedback involved present a challenge for fully understanding the nature of this circuit, particularly in development and disease in which it has been implicated. Computational models that accurately predict and are based on experimental data enable a means to integrate basic principles and explore fine details of mechanosensing and mechanotransduction in and across all levels of biological systems. Here we review recent advances in these models along with supporting and emerging experimental findings. PMID:26019013

  12. Multiscale analysis of nonlinear systems using computational homology

    SciTech Connect

    Konstantin Mischaikow, Rutgers University /Georgia Institute of Technology, Michael Schatz, Georgia Institute of Technology, William Kalies, Florida Atlantic University, Thomas Wanner,George Mason University

    2010-05-19

    - We extended our previous work on studying the time evolution of patterns associated with phase separation in conserved concentration fields. (6) Probabilistic Homology Validation - work on microstructure characterization is based on numerically studying the homology of certain sublevel sets of a function, whose evolution is described by deterministic or stochastic evolution equations. (7) Computational Homology and Dynamics - Topological methods can be used to rigorously describe the dynamics of nonlinear systems. We are approaching this problem from several perspectives and through a variety of systems. (8) Stress Networks in Polycrystals - we have characterized stress networks in polycrystals. This part of the project is aimed at developing homological metrics which can aid in distinguishing not only microstructures, but also derived mechanical response fields. (9) Microstructure-Controlled Drug Release - This part of the project is concerned with the development of topological metrics in the context of controlled drug delivery systems, such as drug-eluting stents. We are particularly interested in developing metrics which can be used to link the processing stage to the resulting microstructure, and ultimately to the achieved system response in terms of drug release profiles. (10) Microstructure of Fuel Cells - we have been using our computational homology software to analyze the topological structure of the void, metal and ceramic components of a Solid Oxide Fuel Cell.

  13. Multiscale analysis of nonlinear systems using computational homology

    SciTech Connect

    Konstantin Mischaikow; Michael Schatz; William Kalies; Thomas Wanner

    2010-05-24

    - We extended our previous work on studying the time evolution of patterns associated with phase separation in conserved concentration fields. (6) Probabilistic Homology Validation - work on microstructure characterization is based on numerically studying the homology of certain sublevel sets of a function, whose evolution is described by deterministic or stochastic evolution equations. (7) Computational Homology and Dynamics - Topological methods can be used to rigorously describe the dynamics of nonlinear systems. We are approaching this problem from several perspectives and through a variety of systems. (8) Stress Networks in Polycrystals - we have characterized stress networks in polycrystals. This part of the project is aimed at developing homological metrics which can aid in distinguishing not only microstructures, but also derived mechanical response fields. (9) Microstructure-Controlled Drug Release - This part of the project is concerned with the development of topological metrics in the context of controlled drug delivery systems, such as drug-eluting stents. We are particularly interested in developing metrics which can be used to link the processing stage to the resulting microstructure, and ultimately to the achieved system response in terms of drug release profiles. (10) Microstructure of Fuel Cells - we have been using our computational homology software to analyze the topological structure of the void, metal and ceramic components of a Solid Oxide Fuel Cell.

  14. Multiscale mechanobiology: computational models for integrating molecules to multicellular systems.

    PubMed

    Mak, Michael; Kim, Taeyoon; Zaman, Muhammad H; Kamm, Roger D

    2015-10-01

    Mechanical signals exist throughout the biological landscape. Across all scales, these signals, in the form of force, stiffness, and deformations, are generated and processed, resulting in an active mechanobiological circuit that controls many fundamental aspects of life, from protein unfolding and cytoskeletal remodeling to collective cell motions. The multiple scales and complex feedback involved present a challenge for fully understanding the nature of this circuit, particularly in development and disease in which it has been implicated. Computational models that accurately predict and are based on experimental data enable a means to integrate basic principles and explore fine details of mechanosensing and mechanotransduction in and across all levels of biological systems. Here we review recent advances in these models along with supporting and emerging experimental findings.

  15. Conservative tightly-coupled simulations of stochastic multiscale systems

    NASA Astrophysics Data System (ADS)

    Taverniers, Søren; Pigarov, Alexander Y.; Tartakovsky, Daniel M.

    2016-05-01

    Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employing either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged ("implicit") coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration ("explicit") Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.

  16. A Multi-Scale Modeling System with Unified Physics

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2008-01-01

    Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 km, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. In recent years, exponentially increasing computer power has extended cloud-resolving-mode1 integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique.

  17. Multi-scale Modeling of the Cardiovascular System: Disease Development, Progression, and Clinical Intervention.

    PubMed

    Zhang, Yanhang; Barocas, Victor H; Berceli, Scott A; Clancy, Colleen E; Eckmann, David M; Garbey, Marc; Kassab, Ghassan S; Lochner, Donna R; McCulloch, Andrew D; Tran-Son-Tay, Roger; Trayanova, Natalia A

    2016-09-01

    Cardiovascular diseases (CVDs) are the leading cause of death in the western world. With the current development of clinical diagnostics to more accurately measure the extent and specifics of CVDs, a laudable goal is a better understanding of the structure-function relation in the cardiovascular system. Much of this fundamental understanding comes from the development and study of models that integrate biology, medicine, imaging, and biomechanics. Information from these models provides guidance for developing diagnostics, and implementation of these diagnostics to the clinical setting, in turn, provides data for refining the models. In this review, we introduce multi-scale and multi-physical models for understanding disease development, progression, and designing clinical interventions. We begin with multi-scale models of cardiac electrophysiology and mechanics for diagnosis, clinical decision support, personalized and precision medicine in cardiology with examples in arrhythmia and heart failure. We then introduce computational models of vasculature mechanics and associated mechanical forces for understanding vascular disease progression, designing clinical interventions, and elucidating mechanisms that underlie diverse vascular conditions. We conclude with a discussion of barriers that must be overcome to provide enhanced insights, predictions, and decisions in pre-clinical and clinical applications.

  18. Glass cullet as a new supplementary cementitious material (SCM)

    NASA Astrophysics Data System (ADS)

    Mirzahosseini, Mohammadreza

    Finely ground glass has the potential for pozzolanic reactivity and can serve as a supplementary cementitious material (SCM). Glass reaction kinetics depends on both temperature and glass composition. Uniform composition, amorphous nature, and high silica content of glass make ground glass an ideal material for studying the effects of glass type and particle size on reactivity at different temperature. This study focuses on how three narrow size ranges of clear and green glass cullet, 63--75 mum, 25--38 mum, and smaller than 25 mum, as well as combination of glass types and particle sizes affects the microstructure and performance properties of cementitious systems containing glass cullet as a SCM. Isothermal calorimetry, chemical shrinkage, thermogravimetric analysis (TGA), quantitative analysis of X-ray diffraction (XRD), and analysis of scanning electron microscope (SEM) images in backscattered (BS) mode were used to quantify the cement reaction kinetics and microstructure. Additionally, compressive strength and water sorptivity experiments were performed on mortar samples to correlate reactivity of cementitious materials containing glass to the performance of cementitious mixtures. A recently-developed modeling platform called "muic the model" was used to simulated pozzolanic reactivity of single type and fraction size and combined types and particle sizes of finely ground glass. Results showed that ground glass exhibits pozzolanic properties, especially when particles of clear and green glass below 25 mum and their combination were used at elevated temperatures, reflecting that glass cullet is a temperature-sensitive SCM. Moreover, glass composition was seen to have a large impact on reactivity. In this study, green glass showed higher reactivity than clear glass. Results also revealed that the simultaneous effect of sizes and types of glass cullet (surface area) on the degree of hydration of glass particles can be accounted for through a linear addition

  19. APPLICATION OF THE MODELS-3 COMMUNITY MULTI-SCALE AIR QUALITY (CMAQ) MODEL SYSTEM TO SOS/NASHVILLE 1999

    EPA Science Inventory

    The Models-3 Community Multi-scale Air Quality (CMAQ) model, first released by the USEPA in 1999 (Byun and Ching. 1999), continues to be developed and evaluated. The principal components of the CMAQ system include a comprehensive emission processor known as the Sparse Matrix O...

  20. Strategies for efficient numerical implementation of hybrid multi-scale agent-based models to describe biological systems

    PubMed Central

    Cilfone, Nicholas A.; Kirschner, Denise E.; Linderman, Jennifer J.

    2015-01-01

    Biologically related processes operate across multiple spatiotemporal scales. For computational modeling methodologies to mimic this biological complexity, individual scale models must be linked in ways that allow for dynamic exchange of information across scales. A powerful methodology is to combine a discrete modeling approach, agent-based models (ABMs), with continuum models to form hybrid models. Hybrid multi-scale ABMs have been used to simulate emergent responses of biological systems. Here, we review two aspects of hybrid multi-scale ABMs: linking individual scale models and efficiently solving the resulting model. We discuss the computational choices associated with aspects of linking individual scale models while simultaneously maintaining model tractability. We demonstrate implementations of existing numerical methods in the context of hybrid multi-scale ABMs. Using an example model describing Mycobacterium tuberculosis infection, we show relative computational speeds of various combinations of numerical methods. Efficient linking and solution of hybrid multi-scale ABMs is key to model portability, modularity, and their use in understanding biological phenomena at a systems level. PMID:26366228

  1. Multiscale Modeling of Nano-scale Phenomena: Towards a Multiphysics Simulation Capability for Design and Optimization of Sensor Systems

    SciTech Connect

    Becker, R; McElfresh, M; Lee, C; Balhorn, R; White, D

    2003-12-01

    In this white paper, a road map is presented to establish a multiphysics simulation capability for the design and optimization of sensor systems that incorporate nanomaterials and technologies. The Engineering Directorate's solid/fluid mechanics and electromagnetic computer codes will play an important role in both multiscale modeling and integration of required physics issues to achieve a baseline simulation capability. Molecular dynamic simulations performed primarily in the BBRP, CMS and PAT directorates, will provide information for the construction of multiscale models. All of the theoretical developments will require closely coupled experimental work to develop material models and validate simulations. The plan is synergistic and complimentary with the Laboratory's emerging core competency of multiscale modeling. The first application of the multiphysics computer code is the simulation of a ''simple'' biological system (protein recognition utilizing synthesized ligands) that has a broad range of applications including detection of biological threats, presymptomatic detection of illnesses, and drug therapy. While the overall goal is to establish a simulation capability, the near-term work is mainly focused on (1) multiscale modeling, i.e., the development of ''continuum'' representations of nanostructures based on information from molecular dynamics simulations and (2) experiments for model development and validation. A list of LDRDER proposals and ongoing projects that could be coordinated to achieve these near-term objectives and demonstrate the feasibility and utility of a multiphysics simulation capability is given.

  2. Multiscale analysis of liquid lubrication trends from industrial machines to micro-electrical-mechanical systems.

    PubMed

    Brenner, Donald W; Irving, Douglas L; Kingon, Angus I; Krim, Jacqueline; Padgett, Clifford W

    2007-08-28

    An analytic multiscale expression is derived that yields conditions for effective liquid lubrication of oscillating contacts via surface flow over multiple time and length scales. The expression is a logistics function that depends on two quantities, the fraction of lubricant removed at each contact and a scaling parameter given by the logarithm of the ratio of the contact area to the product of the lubricant diffusion coefficient and the cycle time. For industrial machines the expression confirms the need for an oil mist. For magnetic disk drives, the expression predicts that existing lubricants are sufficient for next-generation data storage. For micro-electrical-mechanical systems, the expression predicts that a bound + mobile lubricant composed of tricresyl phosphate on an octadecyltrichlorosilane self-assembled monolayer will be effective only for temperatures greater than approximately 200 K and up to approximately MHz oscillation frequencies. PMID:17661501

  3. Analyzing the Multi-scale Interactions of Tropical Waves and Tropical Cyclone Formation with the NASA CMAVis System

    NASA Astrophysics Data System (ADS)

    Shen, B.; Nelson, B.; Tao, W.

    2011-12-01

    Among the scenarios in the Decadal Survey (DS) Missions, the advanced data processing group at the ESTO AIST PI workshop identified "Extreme Event Warning" and "Climate Projections" as two of the top priority scenarios. Recently, we (e.g., Shen et al., 2010a,b; 2011a,b) have made attempt of addressing the first by successfully developing the NASA Coupled Advanced global multiscale Modeling and concurrent Visualization systems (CAMVis) on NASA supercomputers, and demonstrating a great potential for extending the lead time (from 5~7 days up to 20 days) of tropical cyclone (TC) prediction with improved multi-scale interactions between a TC with large-scale environmental conditions such as African Easterly Waves (AEWs), and Madden Julian Oscillation (MJOs). In order to increase our confidence in long-term TC prediction and thus TC climate projection, the predictive relationships between large-scale tropical waves and TC formation need to be further examined and verified with massive model and satellite data sets. To achieve this goal, we have conducted multiscale analysis to study the TC genesis processes, accompanied downscaling (from large-scale events) and upscaling (from small-scale events) processes, and their subsequent non-linear interactions. In this study, we first illustrate the complicated multi-scale interactions during TC genesis with our newly-developed 3D streamline packages in the NASA CAMVis system. With selected cases that include twin TCs in 2002, TC Nargis (2008) and hurricane Helene (2006), we will show that the CAMVis can provide a detailed (zoomed-in) view on hurricane physical processes and an integrative (zoomed-out) view on its interactions with environmental conditions. In the end of talk, we will discuss our future work in multiscale analysis with the Hilbert Huang Transform and improved ensemble empiric mode decomposition.

  4. A global multiscale mathematical model for the human circulation with emphasis on the venous system.

    PubMed

    Müller, Lucas O; Toro, Eleuterio F

    2014-07-01

    We present a global, closed-loop, multiscale mathematical model for the human circulation including the arterial system, the venous system, the heart, the pulmonary circulation and the microcirculation. A distinctive feature of our model is the detailed description of the venous system, particularly for intracranial and extracranial veins. Medium to large vessels are described by one-dimensional hyperbolic systems while the rest of the components are described by zero-dimensional models represented by differential-algebraic equations. Robust, high-order accurate numerical methodology is implemented for solving the hyperbolic equations, which are adopted from a recent reformulation that includes variable material properties. Because of the large intersubject variability of the venous system, we perform a patient-specific characterization of major veins of the head and neck using MRI data. Computational results are carefully validated using published data for the arterial system and most regions of the venous system. For head and neck veins, validation is carried out through a detailed comparison of simulation results against patient-specific phase-contrast MRI flow quantification data. A merit of our model is its global, closed-loop character; the imposition of highly artificial boundary conditions is avoided. Applications in mind include a vast range of medical conditions. Of particular interest is the study of some neurodegenerative diseases, whose venous haemodynamic connection has recently been identified by medical researchers. PMID:24431098

  5. A global multiscale mathematical model for the human circulation with emphasis on the venous system.

    PubMed

    Müller, Lucas O; Toro, Eleuterio F

    2014-07-01

    We present a global, closed-loop, multiscale mathematical model for the human circulation including the arterial system, the venous system, the heart, the pulmonary circulation and the microcirculation. A distinctive feature of our model is the detailed description of the venous system, particularly for intracranial and extracranial veins. Medium to large vessels are described by one-dimensional hyperbolic systems while the rest of the components are described by zero-dimensional models represented by differential-algebraic equations. Robust, high-order accurate numerical methodology is implemented for solving the hyperbolic equations, which are adopted from a recent reformulation that includes variable material properties. Because of the large intersubject variability of the venous system, we perform a patient-specific characterization of major veins of the head and neck using MRI data. Computational results are carefully validated using published data for the arterial system and most regions of the venous system. For head and neck veins, validation is carried out through a detailed comparison of simulation results against patient-specific phase-contrast MRI flow quantification data. A merit of our model is its global, closed-loop character; the imposition of highly artificial boundary conditions is avoided. Applications in mind include a vast range of medical conditions. Of particular interest is the study of some neurodegenerative diseases, whose venous haemodynamic connection has recently been identified by medical researchers.

  6. Training Systems Modelers through the Development of a Multi-scale Chagas Disease Risk Model

    NASA Astrophysics Data System (ADS)

    Hanley, J.; Stevens-Goodnight, S.; Kulkarni, S.; Bustamante, D.; Fytilis, N.; Goff, P.; Monroy, C.; Morrissey, L. A.; Orantes, L.; Stevens, L.; Dorn, P.; Lucero, D.; Rios, J.; Rizzo, D. M.

    2012-12-01

    The goal of our NSF-sponsored Division of Behavioral and Cognitive Sciences grant is to create a multidisciplinary approach to develop spatially explicit models of vector-borne disease risk using Chagas disease as our model. Chagas disease is a parasitic disease endemic to Latin America that afflicts an estimated 10 million people. The causative agent (Trypanosoma cruzi) is most commonly transmitted to humans by blood feeding triatomine insect vectors. Our objectives are: (1) advance knowledge on the multiple interacting factors affecting the transmission of Chagas disease, and (2) provide next generation genomic and spatial analysis tools applicable to the study of other vector-borne diseases worldwide. This funding is a collaborative effort between the RSENR (UVM), the School of Engineering (UVM), the Department of Biology (UVM), the Department of Biological Sciences (Loyola (New Orleans)) and the Laboratory of Applied Entomology and Parasitology (Universidad de San Carlos). Throughout this five-year study, multi-educational groups (i.e., high school, undergraduate, graduate, and postdoctoral) will be trained in systems modeling. This systems approach challenges students to incorporate environmental, social, and economic as well as technical aspects and enables modelers to simulate and visualize topics that would either be too expensive, complex or difficult to study directly (Yasar and Landau 2003). We launch this research by developing a set of multi-scale, epidemiological models of Chagas disease risk using STELLA® software v.9.1.3 (isee systems, inc., Lebanon, NH). We use this particular system dynamics software as a starting point because of its simple graphical user interface (e.g., behavior-over-time graphs, stock/flow diagrams, and causal loops). To date, high school and undergraduate students have created a set of multi-scale (i.e., homestead, village, and regional) disease models. Modeling the system at multiple spatial scales forces recognition that

  7. Progression to multi-scale models and the application to food system intervention strategies.

    PubMed

    Gröhn, Yrjö T

    2015-02-01

    The aim of this article is to discuss how the systems science approach can be used to optimize intervention strategies in food animal systems. It advocates the idea that the challenges of maintaining a safe food supply are best addressed by integrating modeling and mathematics with biological studies critical to formulation of public policy to address these challenges. Much information on the biology and epidemiology of food animal systems has been characterized through single-discipline methods, but until now this information has not been thoroughly utilized in a fully integrated manner. The examples are drawn from our current research. The first, explained in depth, uses clinical mastitis to introduce the concept of dynamic programming to optimize management decisions in dairy cows (also introducing the curse of dimensionality problem). In the second example, a compartmental epidemic model for Johne's disease with different intervention strategies is optimized. The goal of the optimization strategy depends on whether there is a relationship between Johne's and Crohn's disease. If so, optimization is based on eradication of infection; if not, it is based on the cow's performance only (i.e., economic optimization, similar to the mastitis example). The third example focuses on food safety to introduce risk assessment using Listeria monocytogenes and Salmonella Typhimurium. The last example, practical interventions to effectively manage antibiotic resistance in beef and dairy cattle systems, introduces meta-population modeling that accounts for bacterial growth not only in the host (cow), but also in the cow's feed, drinking water and the housing environment. Each example stresses the need to progress toward multi-scale modeling. The article ends with examples of multi-scale systems, from food supply systems to Johne's disease. Reducing the consequences of foodborne illnesses (i.e., minimizing disease occurrence and associated costs) can only occur through an

  8. Multi-Scale Three-Dimensional Variational Data Assimilation System for Coastal Ocean Prediction

    NASA Technical Reports Server (NTRS)

    Li, Zhijin; Chao, Yi; Li, P. Peggy

    2012-01-01

    A multi-scale three-dimensional variational data assimilation system (MS-3DVAR) has been formulated and the associated software system has been developed for improving high-resolution coastal ocean prediction. This system helps improve coastal ocean prediction skill, and has been used in support of operational coastal ocean forecasting systems and field experiments. The system has been developed to improve the capability of data assimilation for assimilating, simultaneously and effectively, sparse vertical profiles and high-resolution remote sensing surface measurements into coastal ocean models, as well as constraining model biases. In this system, the cost function is decomposed into two separate units for the large- and small-scale components, respectively. As such, data assimilation is implemented sequentially from large to small scales, the background error covariance is constructed to be scale-dependent, and a scale-dependent dynamic balance is incorporated. This scheme then allows effective constraining large scales and model bias through assimilating sparse vertical profiles, and small scales through assimilating high-resolution surface measurements. This MS-3DVAR enhances the capability of the traditional 3DVAR for assimilating highly heterogeneously distributed observations, such as along-track satellite altimetry data, and particularly maximizing the extraction of information from limited numbers of vertical profile observations.

  9. Multi-scale modeling of the human cardiovascular system with applications to aortic valvular and arterial stenoses.

    PubMed

    Liang, Fuyou; Takagi, Shu; Himeno, Ryutaro; Liu, Hao

    2009-07-01

    A computational model of the entire cardiovascular system is established based on multi-scale modeling, where the arterial tree is described by a one-dimensional model coupled with a lumped parameter description of the remainder. The resultant multi-scale model forms a closed loop, thus placing arterial wave propagation into a global hemodynamic environment. The model is applied to study the global hemodynamic influences of aortic valvular and arterial stenoses located in various regions. Obtained results show that the global hemodynamic influences of the stenoses depend strongly on their locations in the arterial system, particularly, the characteristics of hemodynamic changes induced by the aortic valvular and aortic stenoses are pronounced, which imply the possibility of noninvasively detecting the presence of the stenoses from peripheral pressure pulses. The variations in aortic pressure/flow pulses with the stenoses play testimony to the significance of modeling the entire cardiovascular system in the study of arterial diseases.

  10. ESPResSo++: A modern multiscale simulation package for soft matter systems

    NASA Astrophysics Data System (ADS)

    Halverson, Jonathan D.; Brandes, Thomas; Lenz, Olaf; Arnold, Axel; Bevc, Staš; Starchenko, Vitaliy; Kremer, Kurt; Stuehn, Torsten; Reith, Dirk

    2013-04-01

    The redesigned Extensible Simulation Package for Research on Soft matter systems (ESPResSo++) is a free, open-source, parallelized, object-oriented simulation package designed to perform many-particle simulations, principally molecular dynamics and Monte Carlo, of condensed soft matter systems. In addition to the standard simulation methods found in well-established packages, ESPResSo++ provides the ability to perform Adaptive Resolution Scheme (AdResS) simulations which are multiscale simulations of molecular systems where the level of resolution of each molecule can change on-the-fly. With the main design objective being extensibility, the software features a highly modular C++ kernel that is coupled to a Python user interface. This makes it easy to add new algorithms, setup a simulation, perform online analysis, use complex workflows and steer a simulation. The extreme flexibility of the software allows for the study of a wide range of systems. The modular structure enables scientists to use ESPResSo++ as a research platform for their own methodological developments, which at the same time allows the software to grow and acquire the most modern methods. ESPResSo++ is targeted for a broad range of architectures and is licensed under the GNU General Public License.

  11. Global Positioning System Navigation Above 76,000 km for NASA's Magnetospheric Multiscale Mission

    NASA Technical Reports Server (NTRS)

    Winternitz, Luke B.; Bamford, William A.; Price, Samuel R.; Carpenter, J. Russell; Long, Anne C.; Farahmand, Mitra

    2016-01-01

    NASA's Magnetospheric Multiscale (MMS) mission, launched in March of 2015, consists of a controlled formation of four spin-stabilized spacecraft in similar highly elliptic orbits reaching apogee at radial distances of 12 and 25 Earth radii (RE) in the first and second phases of the mission. Navigation for MMS is achieved independently on-board each spacecraft by processing Global Positioning System (GPS) observables using NASA Goddard Space Flight Center (GSFC)'s Navigator GPS receiver and the Goddard Enhanced Onboard Navigation System (GEONS) extended Kalman filter software. To our knowledge, MMS constitutes, by far, the highest-altitude operational use of GPS to date and represents a high point of over a decade of high-altitude GPS navigation research and development at GSFC. In this paper we will briefly describe past and ongoing high-altitude GPS research efforts at NASA GSFC and elsewhere, provide details on the design of the MMS GPS navigation system, and present on-orbit performance data from the first phase. We extrapolate these results to predict performance in the second phase orbit, and conclude with a discussion of the implications of the MMS results for future high-altitude GPS navigation, which we believe to be broad and far-reaching.

  12. A Systemic Analysis of Multiscale Deep Convective Variability over the Tropical Pacific.

    NASA Astrophysics Data System (ADS)

    Tung, Wen-Wen; Moncrieff, Mitchell W.; Gao, Jian-Bo

    2004-07-01

    The multiscale tropical deep convective variability over the Pacific Ocean is examined with the 4-month high-resolution deep convection index (ITBB) derived from satellite imagery. With a systemic view, the complex phenomenon is described with succinct parameters known as generalized dimensions associated with the correlation structures embedded in the observed time series, with higher-order dimensions emphasizing extreme convective events. It is suggested that convective activities of lifetimes ranging from 1 h to 21 days have interdependence across scales that can be described by a series of power laws; hence, a spectrum of generalized dimensions, that is, the ITBB time series is multifractal. The spatiotemporal features of the ITBB time series is preliminarily examined by changing the spatial domain from 0.1° × 0.1° to 25° × 25°. The multifractal features are weakened with increasing strength of spatial averaging but cannot be eliminated. Furthermore, the ITBB data has the property of long-range dependency, implying that its autocorrelation function decays with a power law in contrast to the zero or exponentially decaying autocorrelation functions for white and commonly used red noise processes generated from autoregressive models. Physically, this means that intensified convection tends to be followed by another intensified event, and vice versa for weakened events or droughts. Such tendency is stronger with larger domain averaging, probably due to more complete inclusion of larger-scale variability that has more definite trends, such as the supercloud clusters associated with the Madden Julian oscillation (MJO). The evolution of cloud clusters within an MJO event is studied by following the MJO system across the analysis domain for 21 days. Convective activities along the front, center, and rear parts of the MJO event continuously intensify while approaching the date line, indicating multifractal features in the range of 1 h to about 5 10 days

  13. Self-Adaptive Event-Driven Simulation of Multi-Scale Plasma Systems

    NASA Astrophysics Data System (ADS)

    Omelchenko, Yuri; Karimabadi, Homayoun

    2005-10-01

    Multi-scale plasmas pose a formidable computational challenge. The explicit time-stepping models suffer from the global CFL restriction. Efficient application of adaptive mesh refinement (AMR) to systems with irregular dynamics (e.g. turbulence, diffusion-convection-reaction, particle acceleration etc.) may be problematic. To address these issues, we developed an alternative approach to time stepping: self-adaptive discrete-event simulation (DES). DES has origin in operations research, war games and telecommunications. We combine finite-difference and particle-in-cell techniques with this methodology by assuming two caveats: (1) a local time increment, dt for a discrete quantity f can be expressed in terms of a physically meaningful quantum value, df; (2) f is considered to be modified only when its change exceeds df. Event-driven time integration is self-adaptive as it makes use of causality rules rather than parametric time dependencies. This technique enables asynchronous flux-conservative update of solution in accordance with local temporal scales, removes the curse of the global CFL condition, eliminates unnecessary computation in inactive spatial regions and results in robust and fast parallelizable codes. It can be naturally combined with various mesh refinement techniques. We discuss applications of this novel technology to diffusion-convection-reaction systems and hybrid simulations of magnetosonic shocks.

  14. Precision Closed-Loop Orbital Maneuvering System Design and Performance for the Magnetospheric Multiscale Formation

    NASA Technical Reports Server (NTRS)

    Chai, Dean J.; Queen, Steven Z.; Placanica, Samuel J.

    2015-01-01

    NASAs Magnetospheric Multiscale (MMS) mission successfully launched on March 13,2015 (UTC) consists of four identically instrumented spin-stabilized observatories that function as a constellation to study magnetic reconnection in space. The need to maintain sufficiently accurate spatial and temporal formation resolution of the observatories must be balanced against the logistical constraints of executing overly-frequent maneuvers on a small fleet of spacecraft. These two considerations make for an extremely challenging maneuver design problem. This paper focuses on the design elements of a 6-DOF spacecraft attitude control and maneuvering system capable of delivering the high-precision adjustments required by the constellation designers specifically, the design, implementation, and on-orbit performance of the closed-loop formation-class maneuvers that include initialization, maintenance, and re-sizing. The maneuvering control system flown on MMS utilizes a micro-gravity resolution accelerometer sampled at a high rate in order to achieve closed-loop velocity tracking of an inertial target with arc-minute directional and millimeter-per second magnitude accuracy. This paper summarizes the techniques used for correcting bias drift, sensor-head offsets, and centripetal aliasing in the acceleration measurements. It also discusses the on-board pre-maneuver calibration and compensation algorithms as well as the implementation of the post-maneuver attitude adjustments.

  15. Technetium Sorption by Cementitious Materials Under Reducing Conditions

    SciTech Connect

    Kaplan, Daniel I.; Estes, Shanna L.; Powell, Brian A.

    2012-09-28

    The objective of this study was to measure technetium ({sup 99}Tc) sorption to cementitious materials under reducing conditions to simulate Saltstone Disposal Facility conditions. {sup 99}Tc(VII) batch sorption experiments were conducted for 319 days in an inert glovebag with a variety of cementitious materials (aged cement, Vault 2, TR545, and TR547) containing varying amounts of blast furnace slag. Between 154 and 319 days, the {sup 99}Tc aqueous concentrations tended to remain constant and samples amended with different initial {sup 99}Tc concentrations, tended to merge at about 10{sup -9} M for Vault 2 (17% slag) and TR545 (90% slag) and 10{sup -8} M for TR547 (45% slag). This data provided strong evidence that solubility, and not adsorption (K{sub d} values), was controlling aqueous {sup 99}Tc concentrations. Laboratory data superimposed over thermodynamic speciation diagrams further supported the conclusion that solubility, and not adsorption controlled {sup 99}Tc aqueous concentrations. The oxidation state of the aqueous {sup 99}Tc at the end of the sorption experiment was determined by solvent extraction to be almost entirely {sup 99}Tc(VII). The pH of the present system was ~11.8. Previously proposed solubility controlling phases including Tc-sulfides may be present, but do not appear to control solubility. After the 319 day sorption period, the suspensions were removed from the glovebag and a desorption step under oxic conditions was conducted for 20 days by adding oxic, pH-buffered solutions to the suspensions. {sup 99}Tc aqueous concentrations increased by more than an order of magnitude and Eh increased by several hundred millivolts within 24 hours after the introduction of the oxic solutions. These desorption results are consistent with re-oxidation and dissolution/desorption of {sup 99}Tc(IV) phases possibly present in the cementitious materials after the anoxic sorption step of the experiment. Aqueous {sup 99}Tc concentrations continued to increase

  16. Augmenting Surgery via Multi-scale Modeling and Translational Systems Biology in the Era of Precision Medicine: A Multidisciplinary Perspective.

    PubMed

    Kassab, Ghassan S; An, Gary; Sander, Edward A; Miga, Michael I; Guccione, Julius M; Ji, Songbai; Vodovotz, Yoram

    2016-09-01

    In this era of tremendous technological capabilities and increased focus on improving clinical outcomes, decreasing costs, and increasing precision, there is a need for a more quantitative approach to the field of surgery. Multiscale computational modeling has the potential to bridge the gap to the emerging paradigms of Precision Medicine and Translational Systems Biology, in which quantitative metrics and data guide patient care through improved stratification, diagnosis, and therapy. Achievements by multiple groups have demonstrated the potential for (1) multiscale computational modeling, at a biological level, of diseases treated with surgery and the surgical procedure process at the level of the individual and the population; along with (2) patient-specific, computationally-enabled surgical planning, delivery, and guidance and robotically-augmented manipulation. In this perspective article, we discuss these concepts, and cite emerging examples from the fields of trauma, wound healing, and cardiac surgery. PMID:27015816

  17. THERMALLY CONDUCTIVE CEMENTITIOUS GROUTS FOR GEOTHERMAL HEAT PUMPS. PROGRESS REPORT BY 1998

    SciTech Connect

    ALLAN,M.L.; PHILIPPACOPOULOS,A.J.

    1998-11-01

    Research commenced in FY 97 to determine the suitability of superplasticized cement-sand grouts for backfilling vertical boreholes used with geothermal heat pump (GHP) systems. The overall objectives were to develop, evaluate and demonstrate cementitious grouts that could reduce the required bore length and improve the performance of GHPs. This report summarizes the accomplishments in FY 98.

  18. Simulations of Tornadoes, Tropical Cyclones, MJOs, and QBOs, using GFDL's multi-scale global climate modeling system

    NASA Astrophysics Data System (ADS)

    Lin, Shian-Jiann; Harris, Lucas; Chen, Jan-Huey; Zhao, Ming

    2014-05-01

    A multi-scale High-Resolution Atmosphere Model (HiRAM) is being developed at NOAA/Geophysical Fluid Dynamics Laboratory. The model's dynamical framework is the non-hydrostatic extension of the vertically Lagrangian finite-volume dynamical core (Lin 2004, Monthly Wea. Rev.) constructed on a stretchable (via Schmidt transformation) cubed-sphere grid. Physical parametrizations originally designed for IPCC-type climate predictions are in the process of being modified and made more "scale-aware", in an effort to make the model suitable for multi-scale weather-climate applications, with horizontal resolution ranging from 1 km (near the target high-resolution region) to as low as 400 km (near the antipodal point). One of the main goals of this development is to enable simulation of high impact weather phenomena (such as tornadoes, thunderstorms, category-5 hurricanes) within an IPCC-class climate modeling system previously thought impossible. We will present preliminary results, covering a very wide spectrum of temporal-spatial scales, ranging from simulation of tornado genesis (hours), Madden-Julian Oscillations (intra-seasonal), topical cyclones (seasonal), to Quasi Biennial Oscillations (intra-decadal), using the same global multi-scale modeling system.

  19. Multi-scale hydrogeological and hydrogeophysical approach to monitor vadose zone hydrodynamics of a karst system

    NASA Astrophysics Data System (ADS)

    Watlet, Arnaud; Poulain, Amaël; Van Camp, Michel; Francis, Olivier; Triantafyllou, Antoine; Rochez, Gaëtan; Hallet, Vincent; Kaufmann, Olivier

    2016-04-01

    The vadose zone of karst systems plays an important role on the water dynamics. In particular, temporary perched aquifers can appear in the subsurface due to changes of weather conditions, reduced evapotranspiration and the vertical gradients of porosity and permeability. Although many difficulties are usually encountered when studying karst environments due to their heterogeneities, cave systems offer an outstanding opportunity to investigate vadose zone from the inside. We present a multi-scale study covering two years of hydrogeological and geophysical monitoring of the Lomme Karst System (LKS) located in the Variscan fold-and-thrust belt (Belgium), a region (~ 3000 ha) that shows many karstic networks within Devonian limestone units. Hydrogeological data cover the whole LKS and involve e.g. flows and levels monitoring or tracer tests performed in both vadose and saturated zones. Such data bring valuable information on the hydrological context of the studied area at the catchment scale. Combining those results with geophysical measurements allows validating and imaging them at a smaller scale, with more integrative techniques. Hydrogeophysical measurements are focused on only one cave system of the LKS, at the Rochefort site (~ 40 ha), taking benefit of the Rochefort Cave Laboratory (RCL) infrastructures. In this study, a microgravimetric monitoring and an Electrical Resistivity Tomography (ERT) monitoring are involved. The microgravimetric monitoring consists in a superconducting gravimeter continuously measuring gravity changes at the surface of the RCL and an additional relative gravimeter installed in the underlying cave located 35 meters below the surface. While gravimeters are sensible to changes that occur in both the vadose zone and the saturated zone of the whole cave system, combining their recorded signals allows enhancing vadose zone's gravity changes. Finally, the surface ERT monitoring provide valuable information at the (sub)-meter scale on the

  20. Time-Varying, Multi-Scale Adaptive System Reliability Analysis of Lifeline Infrastructure Networks

    SciTech Connect

    Gearhart, Jared Lee; Kurtz, Nolan Scot

    2014-09-01

    The majority of current societal and economic needs world-wide are met by the existing networked, civil infrastructure. Because the cost of managing such infrastructure is high and increases with time, risk-informed decision making is essential for those with management responsibilities for these systems. To address such concerns, a methodology that accounts for new information, deterioration, component models, component importance, group importance, network reliability, hierarchical structure organization, and efficiency concerns has been developed. This methodology analyzes the use of new information through the lens of adaptive Importance Sampling for structural reliability problems. Deterioration, multi-scale bridge models, and time-variant component importance are investigated for a specific network. Furthermore, both bridge and pipeline networks are studied for group and component importance, as well as for hierarchical structures in the context of specific networks. Efficiency is the primary driver throughout this study. With this risk-informed approach, those responsible for management can address deteriorating infrastructure networks in an organized manner.

  1. Orbital Manuvering System Design and Performance For the Magnetosperic Multiscale Constellation

    NASA Technical Reports Server (NTRS)

    Queen, Steven Z.; Chai, Dean J.; Placanica, Sam

    2013-01-01

    The Magnetospheric Multiscale (MMS) mission, launched on March 13, 2015, is the fourth mission of NASA's Solar Terrestrial Probe program. The MMS mission consists of four identically instrumented observatories that function as a constellation to provide the first definitive study of magnetic reconnection in space. Since it is frequently desirable to isolate electric and magnetic field sensors from stray effects caused by the spacecraft's core-body, the suite of instruments on MMS includes six radial and two axial instrument-booms with deployed lengths ranging from 5-60 meters (see Figure 1). The observatory is spin-stabilized about its positive z-axis with a nominal rate slightly above 3 rev/min (RPM). The spin is also used to maintain tension in the four radial wire-booms. Each observatory's Attitude Control System (ACS) consists of digital sun sensors, star cameras, accelerometers, and mono-propellant hydrazine thrusters-responsible for orbital adjustments, attitude control, and spin adjustments. The sections that follow describe performance requirements, the hardware and algorithms used for 6-DOF estimation, and then similarly for 6-DOF control. The paper concludes with maneuver performance based on both simulated and on-orbit telem.

  2. Method for characterization of the redox condition of cementitious materials

    SciTech Connect

    Almond, Philip M.; Langton, Christine A.; Stefanko, David B.

    2015-12-22

    Disclosed are methods for determining the redox condition of cementitious materials. The methods are leaching methods that utilize an in situ redox indicator that is present in the cementitious materials as formed. The in situ redox indicator leaches from cementitious material and, when the leaching process is carried out under anaerobic conditions can be utilized to determine the redox condition of the material. The in situ redox indicator can exhibit distinct characteristics in the leachate depending upon the redox condition of the indicator.

  3. Mathematical Physics of Complex Coevolutionary Systems: Theoretical Advances and Applications to Multiscale Hydroclimate Dynamics

    NASA Astrophysics Data System (ADS)

    Perdigão, Rui A. P.

    2016-04-01

    The fundamental stochastic-dynamic coevolution laws governing complex coevolutionary systems are introduced in a mathematical physics framework formally unifying nonlinear stochastic physics with fundamental deterministic interaction laws among spatiotemporally distributed processes. The methodological developments are then used to shed light onto fundamental interactions underlying complex spatiotemporal behaviour and emergence in multiscale hydroclimate dynamics. For this purpose, a mathematical physics framework is presented predicting evolving distributions of hydrologic quantities under nonlinearly coevolving geophysical processes. The functional formulation is grounded on first principles regulating the dynamics of each system constituent and their interactions, therefore its applicability is general and data-independent, not requiring local calibrations. Moreover, it enables the dynamical estimation of hydroclimatic variations in space and time from knowledge at different spatiotemporal conditions, along with the associated uncertainties. This paves the way for a robust physically based prediction of hydroclimatic changes in unsupervised areas (e.g. ungauged basins). Validation is achieved by producing, with the mathematical physics framework, a comprehensive spatiotemporal legacy consistent with the observed distributions along with their statistic-dynamic relations. The similarity between simulated and observed distributions is further assessed with novel robust nonlinear information-theoretic diagnostics. The present study brings to light emerging signatures of structural change in hydroclimate dynamics arising from nonlinear synergies across multiple spatiotemporal scales, and contributes to a better dynamical understanding and prediction of spatiotemporal regimes, transitions, structural changes and extremes in complex coevolutionary systems. This study further sheds light onto a diversity of emerging properties from harmonic to hyper-chaotic in general

  4. Nanoscale characterization of engineered cementitious composites (ECC)

    SciTech Connect

    Sakulich, Aaron Richard Li, Victor C.

    2011-02-15

    Engineered cementitious composites (ECC) are ultra-ductile fiber-reinforced cementitious composites. The nanoscale chemical and mechanical properties of three ECC formulae (one standard formula, and two containing nanomaterial additives) were studied using nanoindentation, electron microscopy, and energy dispersive spectroscopy. Nanoindentation results highlight the difference in modulus between bulk matrix ({approx} 30 GPa) and matrix/fiber interfacial transition zones as well as between matrix and unreacted fly ash ({approx} 20 GPa). The addition of carbon black or carbon nanotubes produced little variation in moduli when compared to standard M45-ECC. The indents were observed by electron microscopy; no trace of the carbon black particles could be found, but nanotubes, including nanotubes bridging cracks, were easily located in ultrafine cracks near PVA fibers. Elemental analysis failed to show a correlation between modulus and chemical composition, implying that factors such as porosity have more of an effect on mechanical properties than elemental composition.

  5. An integrated multiscale river basin observing system in the Heihe River Basin, northwest China

    NASA Astrophysics Data System (ADS)

    Li, X.; Liu, S.; Xiao, Q.; Ma, M.; Jin, R.; Che, T.

    2015-12-01

    Using the watershed as the unit to establish an integrated watershed observing system has been an important trend in integrated eco-hydrologic studies in the past ten years. Thus far, a relatively comprehensive watershed observing system has been established in the Heihe River Basin, northwest China. In addition, two comprehensive remote sensing hydrology experiments have been conducted sequentially in the Heihe River Basin, including the Watershed Allied Telemetry Experimental Research (WATER) (2007-2010) and the Heihe Watershed Allied Telemetry Experimental Research (HiWATER) (2012-2015). Among these two experiments, an important result of WATER has been the generation of some multi-scale, high-quality comprehensive datasets, which have greatly supported the development, improvement and validation of a series of ecological, hydrological and quantitative remote-sensing models. The goal of a breakthrough for solving the "data bottleneck" problem has been achieved. HiWATER was initiated in 2012. This project has established a world-class hydrological and meteorological observation network, a flux measurement matrix and an eco-hydrological wireless sensor network. A set of super high-resolution airborne remote-sensing data has also been obtained. In addition, there has been important progress with regard to the scaling research. Furthermore, the automatic acquisition, transmission, quality control and remote control of the observational data has been realized through the use of wireless sensor network technology. The observation and information systems have been highly integrated, which will provide a solid foundation for establishing a research platform that integrates observation, data management, model simulation, scenario analysis and decision-making support to foster 21st-century watershed science in China.

  6. Review of classification systems and new multi-scale typology of groundwater surface water interaction

    NASA Astrophysics Data System (ADS)

    Dahl, M.; Nilsson, B.; Langhoff, J. H.; Refsgaard, J. C.

    2007-09-01

    SummaryThe EU Water Framework Directive outlines a new approach to water administration in which interactions between groundwater bodies, groundwater dependent terrestrial ecosystems and surface water bodies take on a central role. In this context, a review and an evaluation of earlier classification systems for groundwater, riparian areas and wetlands as well as for streams and rivers are given. A new multi-scale and process oriented typology integrating interactions between the three components of the hydrological continuum is proposed. The typology is based on geomorphologic, geological and hydrological concepts reflecting functional linkages and controlling flow processes on gradually smaller spatial scales. On a catchment scale of more than 5 km, the Landscape Type classifies the groundwater flow systems and the groundwater system based on regional geomorphology and regional hydrogeological setting, respectively. This scale characterizes the complexity of regional flow processes that control discharge patterns. On an intermediate or reach scale of 1-5 km, the Riparian Hydrogeological Type classifies the hydrogeological setting adjacent to a riparian area aquifer in greater detail. This scale characterizes physical contact between a groundwater body and a riparian area aquifer as well as stability and flux of groundwater to the riparian area aquifer. These factors are critical for maintaining diverse riparian ecosystems. Within a local scale of 10-1000 m, the Riparian Flow Path Type classifies the dominant flow path through the riparian area to the stream, based on flow path distribution through the riparian area. This scale characterizes the riparian area's capability of maintaining high water quality of an adjacent stream. The GSI typology has been developed for the most important landscapes of Denmark and is exemplified by a moraine landscape. Finally, application possibilities are discussed.

  7. Modeling ventricular interaction: a multiscale approach from sarcomere mechanics to cardiovascular system hemodynamics.

    PubMed

    Lumens, Joost; Delhaas, Tammo; Kirn, Borut; Arts, Theo

    2008-01-01

    Direct ventricular interaction via the interventricular septum plays an important role in ventricular hemodynamics and mechanics. A large amount of experimental data demonstrates that left and right ventricular pump mechanics influence each other and that septal geometry and motion depend on transmural pressure. We present a lumped model of ventricular mechanics consisting of three wall segments that are coupled on the basis of balance laws stating mechanical equilibrium at the intersection of the three walls. The input consists of left and right ventricular volumes and an estimate of septal wall geometry. Wall segment geometry is expressed as area and curvature and is related to sarcomere extension. With constitutive equations of the sarcomere, myofiber stress is calculated. The force exerted by each wall segment on the intersection, as a result of wall tension, is derived from myofiber stress. Finally, septal geometry and ventricular pressures are solved by achieving balance of forces. We implemented this ventricular module in a lumped model of the closed-loop cardiovascular system (CircAdapt model) The resulting multiscale model enables dynamic simulation of myofiber mechanics, ventricular cavity mechanics, and cardiovascular system hemodynamics. The model was tested by performing simulations with synchronous and asynchronous mechanical activation of the wall segments. The simulated results of ventricular mechanics and hemodynamics were compared with experimental data obtained before and after acute induction of left bundle branch block (LBBB) in dogs. The changes in simulated ventricular mechanics and septal motion as a result of the introduction of mechanical asynchrony were very similar to those measured in the animal experiments. In conclusion, the module presented describes ventricular mechanics including direct ventricular interaction realistically and thereby extends the physiological application range of the CircAdapt model.

  8. Multi-scale dynamical behavior of spatially distributed systems: a deterministic point of view

    NASA Astrophysics Data System (ADS)

    Mangiarotti, S.; Le Jean, F.; Drapeau, L.; Huc, M.

    2015-12-01

    Physical and biophysical systems are spatially distributed systems. Their behavior can be observed or modelled spatially at various resolutions. In this work, a deterministic point of view is adopted to analyze multi-scale behavior taking a set of ordinary differential equation (ODE) as elementary part of the system.To perform analyses, scenes of study are thus generated based on ensembles of identical elementary ODE systems. Without any loss of generality, their dynamics is chosen chaotic in order to ensure sensitivity to initial conditions, that is, one fundamental property of atmosphere under instable conditions [1]. The Rössler system [2] is used for this purpose for both its topological and algebraic simplicity [3,4].Two cases are thus considered: the chaotic oscillators composing the scene of study are taken either independent, or in phase synchronization. Scale behaviors are analyzed considering the scene of study as aggregations (basically obtained by spatially averaging the signal) or as associations (obtained by concatenating the time series). The global modeling technique is used to perform the numerical analyses [5].One important result of this work is that, under phase synchronization, a scene of aggregated dynamics can be approximated by the elementary system composing the scene, but modifying its parameterization [6]. This is shown based on numerical analyses. It is then demonstrated analytically and generalized to a larger class of ODE systems. Preliminary applications to cereal crops observed from satellite are also presented.[1] Lorenz, Deterministic nonperiodic flow. J. Atmos. Sci., 20, 130-141 (1963).[2] Rössler, An equation for continuous chaos, Phys. Lett. A, 57, 397-398 (1976).[3] Gouesbet & Letellier, Global vector-field reconstruction by using a multivariate polynomial L2 approximation on nets, Phys. Rev. E 49, 4955-4972 (1994).[4] Letellier, Roulin & Rössler, Inequivalent topologies of chaos in simple equations, Chaos, Solitons

  9. VARIABILITY OF KD VALUES IN CEMENTITIOUS MATERIALS AND SEDIMENTS

    SciTech Connect

    Almond, P.; Kaplan, D.; Shine, E.

    2012-02-02

    Measured distribution coefficients (K{sub d} values) for environmental contaminants provide input data for performance assessments (PA) that evaluate physical and chemical phenomena for release of radionuclides from wasteforms, degradation of engineered components and subsequent transport of radionuclides through environmental media. Research efforts at SRNL to study the effects of formulation and curing variability on the physiochemical properties of the saltstone wasteform produced at the Saltstone Disposal Facility (SDF) are ongoing and provide information for the PA and Saltstone Operations. Furthermore, the range and distribution of plutonium K{sub d} values in soils is not known. Knowledge of these parameters is needed to provide guidance for stochastic modeling in the PA. Under the current SRS liquid waste processing system, supernate from F & H Tank Farm tanks is processed to remove actinides and fission products, resulting in a low-curie Decontaminated Salt Solution (DSS). At the Saltstone Production Facility (SPF), DSS is mixed with premix, comprised of blast furnace slag (BFS), Class F fly ash (FA), and portland cement (OPC) to form a grout mixture. The fresh grout is subsequently placed in SDF vaults where it cures through hydration reactions to produce saltstone, a hardened monolithic waste form. Variation in saltstone composition and cure conditions of grout can affect the saltstone's physiochemical properties. Variations in properties may originate from variables in DSS, premix, and water to premix ratio, grout mixing, placing, and curing conditions including time and temperature (Harbour et al. 2007; Harbour et al. 2009). There are no previous studies reported in the literature regarding the range and distribution of K{sub d} values in cementitious materials. Presently, the Savannah River Site (SRS) estimate ranges and distributions of K{sub d} values based on measurements of K{sub d} values made in sandy SRS sediments (Kaplan 2010). The actual

  10. Property investigation of calcium–silicate–hydrate (C–S–H) gel in cementitious composites

    SciTech Connect

    Hu, Chuanlin; Han, Yunge; Gao, Yueyi; Zhang, Yamei; Li, Zongjin

    2014-09-15

    Calcium–silicate–hydrate (C–S–H) gel, the main product of cement hydration, contributes the most to engineering properties of concrete. Hence, the microstructural physical and mechanical properties of C–S–H gel present in cementitious composites were investigated by the coupled nanoindentation and scanning electron microscope analysis. The physical and mechanical properties were linked through the micro-poromechanical approach. Through this study, an insight was provided into the microstructural features of C–S–H gel present in cementitious composites. It is found that C–S–H gel is a multi-scale composite composed of C–S–H solid, pore and intermixtures at the scale of nanoindentation on C–S–H gel, and the physical and mechanical properties of C–S–H gel can be influenced by the porosity and volume fraction of the intermixtures. - Highlights: • A coupled nanoindentation and scanning electron microscope technique was applied. • The physical and mechanical properties were linked by the proposed model. • The porosity and poroelastic parameters were reported for the first time. • The influence of water to cement ratio was studied.

  11. Multi-scale Properties and Processes in Hierarchically-Structured Organic-Inorganic Solids and Surface-Based Microfluidic Systems

    NASA Astrophysics Data System (ADS)

    Messinger, Robert James

    Hierarchically-structured materials and surface-based microfluidic systems exhibit diverse properties that are inherently multi-scale in origin. In particular, different molecular, mesoscopic, and micron-scale properties and processes are often correlated and collectively account for many properties of interest, such as bulk catalytic activities or electrokinetic flow rates. However, such properties and processes often exhibit complex relationships over the different length scales that are not well understood, and consequently, difficult to control. Establishing correlations between them has been challenging, in part due to the difficulty of rigorously characterizing complex, heterogeneous materials and surface-based microfluidic experiments over multiple length scales, particularly at the molecular and mesoscopic levels. Herein, new multi-scale understanding and correlations have been established for different hierarchically-structured organic-inorganic solids or surface-based microfluidic systems, enabling control of material or device properties over discrete length scales. The molecular-level compositions, structures, interactions, and dynamics have been measured in diverse hierarchically-structured materials, such as mesostructured zeolites, mesostructured organosilicas, and organosiloxane foams, and subsequently correlated with their meso- and macroscopic material structures and properties. The results reveal new insights on the molecular-level interactions that govern their syntheses, the resulting local compositions and material structures, and the relationships among material properties over multiple characteristic length scales. Multi-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy is a cornerstone of these investigations, which enables correlative measurements in multiple frequency dimensions of the through-space or through-bond interactions between the constituent nuclei within the different materials. Other multi-scale

  12. Non-cementitious compositions comprising vaterite and methods thereof

    SciTech Connect

    Devenney, Martin; Fernandez, Miguel; Morgan, Samuel O.

    2015-09-15

    Non-cementitious compositions and products are provided. The compositions of the invention include a carbonate additive comprising vaterite such as reactive vaterite. Additional aspects of the invention include methods of making and using the non-cementitious compositions and products.

  13. Innovative Structural Materials and Sections with Strain Hardening Cementitious Composites

    NASA Astrophysics Data System (ADS)

    Dey, Vikram

    The motivation of this work is based on development of new construction products with strain hardening cementitious composites (SHCC) geared towards sustainable residential applications. The proposed research has three main objectives: automation of existing manufacturing systems for SHCC laminates; multi-level characterization of mechanical properties of fiber, matrix, interface and composites phases using servo-hydraulic and digital image correlation techniques. Structural behavior of these systems were predicted using ductility based design procedures using classical laminate theory and structural mechanics. SHCC sections are made up of thin sections of matrix with Portland cement based binder and fine aggregates impregnating continuous one-dimensional fibers in individual or bundle form or two/three dimensional woven, bonded or knitted textiles. Traditional fiber reinforced concrete (FRC) use random dispersed chopped fibers in the matrix at a low volume fractions, typically 1-2% to avoid to avoid fiber agglomeration and balling. In conventional FRC, fracture localization occurs immediately after the first crack, resulting in only minor improvement in toughness and tensile strength. However in SHCC systems, distribution of cracking throughout the specimen is facilitated by the fiber bridging mechanism. Influence of material properties of yarn, composition, geometry and weave patterns of textile in the behavior of laminated SHCC skin composites were investigated. Contribution of the cementitious matrix in the early age and long-term performance of laminated composites was studied with supplementary cementitious materials such as fly ash, silica fume, and wollastonite. A closed form model with classical laminate theory and ply discount method, coupled with a damage evolution model was utilized to simulate the non-linear tensile response of these composite materials. A constitutive material model developed earlier in the group was utilized to characterize and

  14. Attitude Ground System (AGS) For The Magnetospheric Multi-Scale (MMS) Mission

    NASA Technical Reports Server (NTRS)

    Raymond, Juan C.; Sedlak, Joseph E.; Vint, Babak

    2015-01-01

    The Magnetospheric Multiscale (MMS) mission is a Solar-Terrestrial Probe mission consisting of four identically instrumented spin-stabilized spacecraft flying in an adjustable pyramid-like formation around the Earth. The formation of the MMS spacecraft allows for three-dimensional study of the phenomenon of magnetic reconnection, which is the primary objective of the mission. The MMS spacecraft were launched early on March 13, 2015 GMT. Due to the challenging and very constricted attitude and orbit requirements for performing the science, as well as the need to maintain the spacecraft formation, multiple ground functionalities were designed to support the mission. These functionalities were incorporated into a ground system known as the Attitude Ground System (AGS). Various AGS configurations have been used widely to support a variety of three-axis-stabilized and spin-stabilized spacecraft missions within the NASA Goddard Space Flight Center (GSFC). The original MMS operational concept required the AGS to perform highly accurate predictions of the effects of environmental disturbances on the spacecraft orientation and to plan the attitude maneuvers necessary to stay within the science attitude tolerance. The orbit adjustment requirements for formation control drove the need also to perform calibrations that have never been done before in support of NASA GSFC missions. The MMS mission required support analysts to provide fast and accurately calibrated values of the inertia tensor, center of mass, and accelerometer bias for each MMS spacecraft. During early design of the AGS functionalities, a Kalman filter for estimating the attitude, body rates, center of mass, and accelerometer bias, using only star tracker and accelerometer measurements, was heavily analyzed. A set of six distinct filters was evaluated and considered for estimating the spacecraft attitude and body rates using star tracker data only. Four of the six filters are closely related and were compared

  15. Tailoring engineered cementitious composites for impact resistance

    SciTech Connect

    Yang, En-Hua; Li, Victor C.

    2012-08-15

    This paper presents results of deliberate tailoring of engineered cementitious composites (ECC) for impact resistance. Microstructure control involving fiber, matrix and fiber/matrix interface was based on steady-state dynamic crack growth analyses accounting for rate dependence of composite phases. Uniaxial tensile stress-strain curves of the resulting impact resistant ECC were experimentally determined for strain rates ranging from 10{sup -5} s{sup -1} to 10{sup -1} s{sup -1}. Low speed drop weight tower test on ECC panels and beams was also conducted. Damage characteristics, load and energy dissipation capacities, and response to repeated impacts, were studied.

  16. Multiscale Systems Analysis of Root Growth and Development: Modeling Beyond the Network and Cellular Scales

    PubMed Central

    Band, Leah R.; Fozard, John A.; Godin, Christophe; Jensen, Oliver E.; Pridmore, Tony; Bennett, Malcolm J.; King, John R.

    2012-01-01

    Over recent decades, we have gained detailed knowledge of many processes involved in root growth and development. However, with this knowledge come increasing complexity and an increasing need for mechanistic modeling to understand how those individual processes interact. One major challenge is in relating genotypes to phenotypes, requiring us to move beyond the network and cellular scales, to use multiscale modeling to predict emergent dynamics at the tissue and organ levels. In this review, we highlight recent developments in multiscale modeling, illustrating how these are generating new mechanistic insights into the regulation of root growth and development. We consider how these models are motivating new biological data analysis and explore directions for future research. This modeling progress will be crucial as we move from a qualitative to an increasingly quantitative understanding of root biology, generating predictive tools that accelerate the development of improved crop varieties. PMID:23110897

  17. Multiscale systems analysis of root growth and development: modeling beyond the network and cellular scales.

    PubMed

    Band, Leah R; Fozard, John A; Godin, Christophe; Jensen, Oliver E; Pridmore, Tony; Bennett, Malcolm J; King, John R

    2012-10-01

    Over recent decades, we have gained detailed knowledge of many processes involved in root growth and development. However, with this knowledge come increasing complexity and an increasing need for mechanistic modeling to understand how those individual processes interact. One major challenge is in relating genotypes to phenotypes, requiring us to move beyond the network and cellular scales, to use multiscale modeling to predict emergent dynamics at the tissue and organ levels. In this review, we highlight recent developments in multiscale modeling, illustrating how these are generating new mechanistic insights into the regulation of root growth and development. We consider how these models are motivating new biological data analysis and explore directions for future research. This modeling progress will be crucial as we move from a qualitative to an increasingly quantitative understanding of root biology, generating predictive tools that accelerate the development of improved crop varieties.

  18. Systems-Pharmacology Dissection of Traditional Chinese Medicine Compound Saffron Formula Reveals Multi-scale Treatment Strategy for Cardiovascular Diseases.

    PubMed

    Liu, Jianling; Mu, Jiexin; Zheng, Chunli; Chen, Xuetong; Guo, Zihu; Huang, Chao; Fu, Yingxue; Tian, Guihua; Shang, Hongcai; Wang, Yonghua

    2016-01-01

    Cardiovascular diseases (CVDs) have been regarding as "the world's first killer" of human beings in recent years owing to the striking morbidity and mortality, the involved molecular mechanisms are extremely complex and remain unclear. Traditional Chinese medicine (TCM) adheres to the aim of combating complex diseases from an integrative and holistic point of view, which has shown effectiveness in CVDs therapy. However, system-level understanding of such a mechanism of multi-scale treatment strategy for CVDs is still difficult. Here, we developed a system pharmacology approach with the purpose of revealing the underlying molecular mechanisms exemplified by a famous compound saffron formula (CSF) in treating CVDs. First, by systems ADME analysis combined with drug targeting process, 103 potential active components and their corresponding 219 direct targets were retrieved and some key interactions were further experimentally validated. Based on this, the network relationships among active components, targets and diseases were further built to uncover the pharmacological actions of the drug. Finally, a "CVDs pathway" consisted of several regulatory modules was incorporated to dissect the therapeutic effects of CSF in different pathological features-relevant biological processes. All this demonstrates CSF has multi-scale curative activity in regulating CVD-related biological processes, which provides a new potential way for modern medicine in the treatment of complex diseases. PMID:26813334

  19. Systems-Pharmacology Dissection of Traditional Chinese Medicine Compound Saffron Formula Reveals Multi-scale Treatment Strategy for Cardiovascular Diseases

    PubMed Central

    Liu, Jianling; Mu, Jiexin; Zheng, Chunli; Chen, Xuetong; Guo, Zihu; Huang, Chao; Fu, Yingxue; Tian, Guihua; Shang, Hongcai; Wang, Yonghua

    2016-01-01

    Cardiovascular diseases (CVDs) have been regarding as “the world’s first killer” of human beings in recent years owing to the striking morbidity and mortality, the involved molecular mechanisms are extremely complex and remain unclear. Traditional Chinese medicine (TCM) adheres to the aim of combating complex diseases from an integrative and holistic point of view, which has shown effectiveness in CVDs therapy. However, system-level understanding of such a mechanism of multi-scale treatment strategy for CVDs is still difficult. Here, we developed a system pharmacology approach with the purpose of revealing the underlying molecular mechanisms exemplified by a famous compound saffron formula (CSF) in treating CVDs. First, by systems ADME analysis combined with drug targeting process, 103 potential active components and their corresponding 219 direct targets were retrieved and some key interactions were further experimentally validated. Based on this, the network relationships among active components, targets and diseases were further built to uncover the pharmacological actions of the drug. Finally, a “CVDs pathway” consisted of several regulatory modules was incorporated to dissect the therapeutic effects of CSF in different pathological features-relevant biological processes. All this demonstrates CSF has multi-scale curative activity in regulating CVD-related biological processes, which provides a new potential way for modern medicine in the treatment of complex diseases. PMID:26813334

  20. REVIEW OF THE GOVERNING EQUATIONS, COMPUTATIONAL ALGORITHMS, AND OTHER COMPONENTS OF THE MODELS-3 COMMUNITY MULTISCALE AIR QUALITY (CMAQ) MODELING SYSTEM

    EPA Science Inventory

    This article describes the governing equations, computational algorithms, and other components entering into the Community Multiscale Air Quality (CMAQ) modeling system. This system has been designed to approach air quality as a whole by including state-of-the-science capabiliti...

  1. A Fully Automated Multi-Scale Flood Monitoring System Based On MODIS And TerraSAR-X Data

    NASA Astrophysics Data System (ADS)

    Martinis, Sandro; Kersten, Jens; Twele, Andre; Eberle, Jonas; Strobl, Christian; Stein, Enrico

    2013-12-01

    In this contribution, a fully automated multi-scale flood monitoring system is presented. The monitoring component of the system systematically detects the extent of inundations on a continental scale with medium spatial resolution using daily acquired data of the Moderate Resolution Imaging Spectroradiometer (MODIS). In case a user-defined threshold for flooded areas over an area of interest has been reached, the crisis component of the system is triggered to derive flood information at higher spatial detail using a Synthetic Aperture Radar (SAR) based satellite mission (TerraSAR-X). The automatic processing chains of both components include data pre-processing, computation and adaption of global auxiliary data, thematic classification and a subsequent dissemination of flood maps using an interactive web-client. The performance of the flood monitoring system is demonstrated for a flood event in Russia in May 2013.

  2. Land system change and food security: towards multi-scale land system solutions☆

    PubMed Central

    Verburg, Peter H; Mertz, Ole; Erb, Karl-Heinz; Haberl, Helmut; Wu, Wenbin

    2013-01-01

    Land system changes are central to the food security challenge. Land system science can contribute to sustainable solutions by an integrated analysis of land availability and the assessment of the tradeoffs associated with agricultural expansion and land use intensification. A land system perspective requires local studies of production systems to be contextualised in a regional and global context, while global assessments should be confronted with local realities. Understanding of land governance structures will help to support the development of land use policies and tenure systems that assist in designing more sustainable ways of intensification. Novel land systems should be designed that are adapted to the local context and framed within the global socio-ecological system. Such land systems should explicitly account for the role of land governance as a primary driver of land system change and food production. PMID:24143158

  3. Multiscale stochastic simulation algorithm with stochastic partial equilibrium assumption for chemically reacting systems

    SciTech Connect

    Cao Yang . E-mail: ycao@cs.ucsb.edu; Gillespie, Dan . E-mail: GillespieDT@mailaps.org; Petzold, Linda . E-mail: petzold@engineering.ucsb.edu

    2005-07-01

    In this paper, we introduce a multiscale stochastic simulation algorithm (MSSA) which makes use of Gillespie's stochastic simulation algorithm (SSA) together with a new stochastic formulation of the partial equilibrium assumption (PEA). This method is much more efficient than SSA alone. It works even with a very small population of fast species. Implementation details are discussed, and an application to the modeling of the heat shock response of E. Coli is presented which demonstrates the excellent efficiency and accuracy obtained with the new method.

  4. Analysis of Graphite Reinforced Cementitious Composites

    NASA Technical Reports Server (NTRS)

    Vaughan, Robert E.; Gilbert, John A.; Spanyer, Karen (Technical Monitor)

    2001-01-01

    This paper describes analytical methods that can be used to determine the deflections and stresses in highly compliant graphite-reinforced cementitious composites. It is demonstrated that the standard transform section fails to provide accurate results when the elastic modulus ratio exceeds 20. So an alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach; and, when the effective material properties are used to characterize the deflections of composite beams subject to pure bending, an excellent agreement is obtained. Laminated composite plate theory is also investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed by incorporating material properties established from tensile tests. Finite element modeling is used to verity the results and, considering the complexity of the samples, a very good agreement is obtained.

  5. Non-linear direct multi-scale image enhancement based on the luminance and contrast masking characteristics of the human visual system.

    PubMed

    Nercessian, Shahan C; Panetta, Karen A; Agaian, Sos S

    2013-09-01

    Image enhancement is a crucial pre-processing step for various image processing applications and vision systems. Many enhancement algorithms have been proposed based on different sets of criteria. However, a direct multi-scale image enhancement algorithm capable of independently and/or simultaneously providing adequate contrast enhancement, tonal rendition, dynamic range compression, and accurate edge preservation in a controlled manner has yet to be produced. In this paper, a multi-scale image enhancement algorithm based on a new parametric contrast measure is presented. The parametric contrast measure incorporates not only the luminance masking characteristic, but also the contrast masking characteristic of the human visual system. The formulation of the contrast measure can be adapted for any multi-resolution decomposition scheme in order to yield new human visual system-inspired multi-scale transforms. In this article, it is exemplified using the Laplacian pyramid, discrete wavelet transform, stationary wavelet transform, and dual-tree complex wavelet transform. Consequently, the proposed enhancement procedure is developed. The advantages of the proposed method include: 1) the integration of both the luminance and contrast masking phenomena; 2) the extension of non-linear mapping schemes to human visual system inspired multi-scale contrast coefficients; 3) the extension of human visual system-based image enhancement approaches to the stationary and dual-tree complex wavelet transforms, and a direct means of; 4) adjusting overall brightness; and 5) achieving dynamic range compression for image enhancement within a direct multi-scale enhancement framework. Experimental results demonstrate the ability of the proposed algorithm to achieve simultaneous local and global enhancements.

  6. Mobile colloid generation induced by a cementitious plume: mineral surface-charge controls on mobilization.

    PubMed

    Li, Dien; Kaplan, Daniel I; Roberts, Kimberly A; Seaman, John C

    2012-03-01

    Cementitious materials are increasingly used as engineered barriers and waste forms for radiological waste disposal. Yet their potential effect on mobile colloid generation is not well-known, especially as it may influence colloid-facilitated contaminant transport. Whereas previous papers have studied the introduction of cement colloids into sediments, this study examined the influence of cement leachate chemistry on the mobilization of colloids from a subsurface sediment collected from the Savannah River Site, USA. A sharp mobile colloid plume formed with the introduction of a cement leachate simulant. Colloid concentrations decreased to background concentrations even though the aqueous chemical conditions (pH and ionic strength) remained unchanged. Mobile colloids were mainly goethite and to a lesser extent kaolinite. The released colloids had negative surface charges and the mean particle sizes ranged primarily from 200 to 470 nm. Inherent mineralogical electrostatic forces appeared to be the controlling colloid removal mechanism in this system. In the background pH of ~6.0, goethite had a positive surface charge, whereas quartz (the dominant mineral in the immobile sediment) and kaolinite had negative surface charges. Goethite acted as a cementing agent, holding kaolinite and itself onto the quartz surfaces due to the electrostatic attraction. Once the pH of the system was elevated, as in the cementitious high pH plume front, the goethite reversed to a negative charge, along with quartz and kaolinite, then goethite and kaolinite colloids were mobilized and a sharp spike in turbidity was observed. Simulating conditions away from the cementitious source, essentially no colloids were mobilized at 1:1000 dilution of the cement leachate or when the leachate pH was ≤ 8. Extreme alkaline pH environments of cementitious leachate may change mineral surface charges, temporarily promoting the formation of mobile colloids.

  7. Modeling Complex Biological Flows in Multi-Scale Systems using the APDEC Framework

    SciTech Connect

    Trebotich, D

    2006-06-24

    We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA-laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscous flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.

  8. Overview of the Multiscale Epidemiologic/Economic Simulation and Analysis (MESA) Decision Support System

    SciTech Connect

    Speck, D E

    2008-04-28

    The Multiscale Epidemiologic/Economic Simulation and Analysis (MESA) Decision Support System (DSS) is the product of investments that began in FY05 by the Department of Homeland Security (DHS) Science and Technology Directorate and continue today with joint funding by both DHS and the US Department of Agriculture (USDA). The DSS consists of a coupled epidemiologic/economic model, a standalone graphical user interface (GUI) that supports both model setup and post-analysis, and a Scenario Bank archive to store all content related to foreign animal disease (FAD) studies. The MESA epi model is an object-oriented, agent-based, stochastic, spatio-temporal simulator that parametrically models FAD outbreaks and response strategies from initial disease introduction to conclusion over local, regional, and national scales. Through its output database, the epi model couples to an economic model that calculates farm-level impacts from animal infections, responsive control strategies and loss of trade. The MESA architecture contains a variety of internal models that implement the major components of the epi simulation, including disease introduction, intra-herd spread, inter-herd spread (direct and indirect), detection, and various control strategies (movement restrictions, culling, vaccination) in a highly configurable and extensible fashion. MESA development was originally focused to support investigations into the economic and agricultural industry impacts associated with Foot-and-Mouth Disease (FMD outbreaks). However, it has been adapted to other FADs such has Highly Pathogenic Avian Influenza (HPAI), Classical Swine Fever (CSF) and Exotic Newcastle Disease (END). The MESA model is highly parameterized and employs an extensible architecture that permits straightforward addition of new component models (e.g., alternative disease spread approaches) when necessary. Since its inception, MESA has been developed with a requirement to enable simulation of the very large scale

  9. Hydration characteristics and environmental friendly performance of a cementitious material composed of calcium silicate slag.

    PubMed

    Zhang, Na; Li, Hongxu; Zhao, Yazhao; Liu, Xiaoming

    2016-04-01

    Calcium silicate slag is an alkali leaching waste generated during the process of extracting Al2O3 from high-alumina fly ash. In this research, a cementitious material composed of calcium silicate slag was developed, and its mechanical and physical properties, hydration characteristics and environmental friendly performance were investigated. The results show that an optimal design for the cementitious material composed of calcium silicate slag was determined by the specimen CFSC7 containing 30% calcium silicate slag, 5% high-alumina fly ash, 24% blast furnace slag, 35% clinker and 6% FGD gypsum. This blended system yields excellent physical and mechanical properties, confirming the usefulness of CFSC7. The hydration products of CFSC7 are mostly amorphous C-A-S-H gel, rod-like ettringite and hexagonal-sheet Ca(OH)2 with small amount of zeolite-like minerals such as CaAl2Si2O8·4H2O and Na2Al2Si2O8·H2O. As the predominant hydration products, rod-like ettringite and amorphous C-A-S-H gel play a positive role in promoting densification of the paste structure, resulting in strength development of CFSC7 in the early hydration process. The leaching toxicity and radioactivity tests results indicate that the developed cementitious material composed of calcium silicate slag is environmentally acceptable. This study points out a promising direction for the proper utilization of calcium silicate slag in large quantities.

  10. Modelling the carbonation of cementitious matrixes by means of the unreacted-core model, UR-CORE

    SciTech Connect

    Castellote, M. Andrade, C.

    2008-12-15

    This paper presents a model for the carbonation of cementitious matrixes (UR-CORE). The model is based on the principles of the 'unreacted-core' systems, typical of chemical engineering processes, in which the reacted product remains in the solid as a layer of inert ash, adapted for the specific case of carbonation. Development of the model has been undertaken in three steps: 1) Establishment of the controlling step in the global carbonation rate, by using data of fractional conversion of different phases of the cementitious matrixes, obtained by the authors through neutron diffraction data experiments, and reported in [M. Castellote, C. Andrade, X. Turrillas, J. Campo, G. Cuello, Accelerated carbonation of cement pastes in situ monitored by neutron diffraction, Cem. Concr. Res. (2008), doi:10.1016/j.cemconres.2008.07.002]. 2) Then, the model has been adapted and applied to the cementitious materials using different concentrations of CO{sub 2}, with the introduction of the needed assumptions and factors. 3) Finally, the model has been validated with laboratory data at different concentrations (taken from literature) and for long term natural exposure of concretes. As a result, the model seems to be reliable enough to be applied to cementitious materials, being able to extrapolate the results from accelerated tests in any conditions to predict the rate of carbonation in natural exposure, being restricted, at present stage, to conditions with a constant relative humidity.

  11. Investigating the Complex Chemistry of Functional Energy Storage Systems: The Need for an Integrative, Multiscale (Molecular to Mesoscale) Perspective

    PubMed Central

    2016-01-01

    Electric energy storage systems such as batteries can significantly impact society in a variety of ways, including facilitating the widespread deployment of portable electronic devices, enabling the use of renewable energy generation for local off grid situations and providing the basis of highly efficient power grids integrated with energy production, large stationary batteries, and the excess capacity from electric vehicles. A critical challenge for electric energy storage is understanding the basic science associated with the gap between the usable output of energy storage systems and their theoretical energy contents. The goal of overcoming this inefficiency is to achieve more useful work (w) and minimize the generation of waste heat (q). Minimization of inefficiency can be approached at the macro level, where bulk parameters are identified and manipulated, with optimization as an ultimate goal. However, such a strategy may not provide insight toward the complexities of electric energy storage, especially the inherent heterogeneity of ion and electron flux contributing to the local resistances at numerous interfaces found at several scale lengths within a battery. Thus, the ability to predict and ultimately tune these complex systems to specific applications, both current and future, demands not just parametrization at the bulk scale but rather specific experimentation and understanding over multiple length scales within the same battery system, from the molecular scale to the mesoscale. Herein, we provide a case study examining the insights and implications from multiscale investigations of a prospective battery material, Fe3O4. PMID:27413781

  12. Investigating the Complex Chemistry of Functional Energy Storage Systems: The Need for an Integrative, Multiscale (Molecular to Mesoscale) Perspective.

    PubMed

    Abraham, Alyson; Housel, Lisa M; Lininger, Christianna N; Bock, David C; Jou, Jeffrey; Wang, Feng; West, Alan C; Marschilok, Amy C; Takeuchi, Kenneth J; Takeuchi, Esther S

    2016-06-22

    Electric energy storage systems such as batteries can significantly impact society in a variety of ways, including facilitating the widespread deployment of portable electronic devices, enabling the use of renewable energy generation for local off grid situations and providing the basis of highly efficient power grids integrated with energy production, large stationary batteries, and the excess capacity from electric vehicles. A critical challenge for electric energy storage is understanding the basic science associated with the gap between the usable output of energy storage systems and their theoretical energy contents. The goal of overcoming this inefficiency is to achieve more useful work (w) and minimize the generation of waste heat (q). Minimization of inefficiency can be approached at the macro level, where bulk parameters are identified and manipulated, with optimization as an ultimate goal. However, such a strategy may not provide insight toward the complexities of electric energy storage, especially the inherent heterogeneity of ion and electron flux contributing to the local resistances at numerous interfaces found at several scale lengths within a battery. Thus, the ability to predict and ultimately tune these complex systems to specific applications, both current and future, demands not just parametrization at the bulk scale but rather specific experimentation and understanding over multiple length scales within the same battery system, from the molecular scale to the mesoscale. Herein, we provide a case study examining the insights and implications from multiscale investigations of a prospective battery material, Fe3O4. PMID:27413781

  13. Investigating the Complex Chemistry of Functional Energy Storage Systems: The Need for an Integrative, Multiscale (Molecular to Mesoscale) Perspective.

    PubMed

    Abraham, Alyson; Housel, Lisa M; Lininger, Christianna N; Bock, David C; Jou, Jeffrey; Wang, Feng; West, Alan C; Marschilok, Amy C; Takeuchi, Kenneth J; Takeuchi, Esther S

    2016-06-22

    Electric energy storage systems such as batteries can significantly impact society in a variety of ways, including facilitating the widespread deployment of portable electronic devices, enabling the use of renewable energy generation for local off grid situations and providing the basis of highly efficient power grids integrated with energy production, large stationary batteries, and the excess capacity from electric vehicles. A critical challenge for electric energy storage is understanding the basic science associated with the gap between the usable output of energy storage systems and their theoretical energy contents. The goal of overcoming this inefficiency is to achieve more useful work (w) and minimize the generation of waste heat (q). Minimization of inefficiency can be approached at the macro level, where bulk parameters are identified and manipulated, with optimization as an ultimate goal. However, such a strategy may not provide insight toward the complexities of electric energy storage, especially the inherent heterogeneity of ion and electron flux contributing to the local resistances at numerous interfaces found at several scale lengths within a battery. Thus, the ability to predict and ultimately tune these complex systems to specific applications, both current and future, demands not just parametrization at the bulk scale but rather specific experimentation and understanding over multiple length scales within the same battery system, from the molecular scale to the mesoscale. Herein, we provide a case study examining the insights and implications from multiscale investigations of a prospective battery material, Fe3O4.

  14. A Multi-scale Modeling System: Developments, Applications and Critical Issues

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo; Chern, Jiundar; Atlas, Robert; Randall, David; Lin, Xin; Khairoutdinov, Marat; Li, Jui-Lin; Waliser, Duane E.; Hou, Arthur; Peters-Lidard, Christa; Lau, William; Simpson, Joanne

    2006-01-01

    A multi-scale modeling framework (MMF), which replaces the conventional cloud parameterizations with a cloud-resolving model (CRM) in each grid column of a GCM, constitutes a new and promising approach. The MMF can provide for global coverage and two-way interactions between the CRMs and their parent GCM. The GCM allows global coverage and the CRM allows explicit simulation of cloud processes and their interactions with radiation and surface processes. A new MMF has been developed that is based the Goddard finite volume GCM (fvGCM) and the Goddard Cumulus Ensemble (GCE) model. This Goddard MMF produces many features that are similar to another MMF that was developed at Colorado State University (CSU), such as an improved .surface precipitation pattern, better cloudiness, improved diurnal variability over both oceans and continents, and a stronger, propagating Madden-Julian oscillation (MJO) compared to their parent GCMs using conventional cloud parameterizations. Both MMFs also produce a precipitation bias in the western Pacific during Northern Hemisphere summer. However, there are also notable differences between two MMFs. For example, the CSU MMF simulates less rainfall over land than its parent GCM. This is why the CSU MMF simulated less overall global rainfall than its parent GCM. The Goddard MMF overestimates global rainfall because of its oceanic component. Some critical issues associated with the Goddard MMF are presented in this paper.

  15. Multi-scale models of grassland passerine abundance in a fragmented system in Wisconsin

    USGS Publications Warehouse

    Renfrew, R.B.; Ribic, C.A.

    2008-01-01

    Fragmentation of grasslands has been implicated in grassland bird population declines. Multi-scale models are being increasingly used to assess potential factors that influence grassland bird presence, abundance, and productivity. However, studies rarely assess fragmentation metrics, and seldom evaluate more than two scales or interactions among scales. We evaluated the relative importance of characteristics at multiple scales to patterns in relative abundance of Savannah Sparrow (Passerculus sandwichensis), Grasshopper Sparrow (Ammodramus savannarum), Eastern Meadowlark (Sturnella magna), and Bobolink (Dolichonyx oryzivorus). We surveyed birds in 74 southwestern Wisconsin pastures from 1997 to 1999 and compared models with explanatory variables from multiple scales: within-patch vegetation structure (microhabitat), patch (macrohabitat), and three landscape extents. We also examined interactions between macrohabitat and landscape factors. Core area of pastures was an important predictor of relative abundance, and composition of the landscape was more important than configuration. Relative abundance was frequently higher in pastures with more core area and in landscapes with more grassland and less wooded area. The direction and strength of the effect of core pasture size on relative abundance changed depending on amount of wooded area in the landscape. Relative abundance of grassland birds was associated with landscape variables more frequently at the 1200-m scale than at smaller scales. To develop better predictive models, parameters at multiple scales and their interactive effects should be included, and results should be evaluated in the context of microhabitat variability, landscape composition, and fragmentation in the study area. ?? 2007 Springer Science+Business Media B.V.

  16. Cementitious waste option scoping study report

    SciTech Connect

    Lee, A.E.; Taylor, D.D.

    1998-02-01

    A Settlement Agreement between the Department of Energy (DOE) and the State of Idaho mandates that all high-level radioactive waste (HLW) now stored at the Idaho Chemical Processing Plant (ICPP) on the Idaho National Engineering and Environmental Laboratory (INEEL) will be treated so that it is ready to be moved out of Idaho for disposal by a target date of 2035. This study investigates the nonseparations Cementitious Waste Option (CWO) as a means to achieve this goal. Under this option all liquid sodium-bearing waste (SBW) and existing HLW calcine would be recalcined with sucrose, grouted, canisterized, and interim stored as a mixed-HLW for eventual preparation and shipment off-Site for disposal. The CWO waste would be transported to a Greater Confinement Disposal Facility (GCDF) located in the southwestern desert of the US on the Nevada Test Site (NTS). All transport preparation, shipment, and disposal facility activities are beyond the scope of this study. CWO waste processing, packaging, and interim storage would occur over a 5-year period between 2013 and 2017. Waste transport and disposal would occur during the same time period.

  17. Concrete mixture characterization. Cementitious barriers partnership

    SciTech Connect

    Langton, C.; Protiere, Yannick

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage. Both mixtures were prepared with approximately 425 kg of binder. The testing protocol mostly focused on determining the transport properties of the mixtures; volume of permeable voids (porosity), diffusion coefficients, and water permeability were evaluated. Tests were performed after different curing durations. In order to obtain data on the statistical distribution of transport properties, the measurements after 2 years of curing were performed on 10+ samples. Overall, both mixtures exhibited very low tortuosities and permeabilities, a direct consequence of their low water-to-binder ratio and the use of supplementary cementitious materials. The data generated on 2-year old samples showed that porosity, tortuosity and permeability follow a normal distribution. Chloride ponding tests were also performed on test samples. They showed limited chloride ingress, in line with measured transport properties. These test results also showed that both materials react differently with chloride, a consequence of the differences in the binder chemical compositions.

  18. Cementitious Barriers Partnership (CBP): Training and Release of CBP Toolbox Software, Version 1.0 - 13480

    SciTech Connect

    Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.; Sarkar, S.; Flach, G.; Langton, C.; Smith, F.G. III; Burns, H.; Van der Sloot, H.; Meeussen, J.C.L.; Samson, E.; Mallick, P.; Suttora, L.; Esh, D.; Fuhrmann, M.; Philip, J.

    2013-07-01

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the Office of Tank Waste Management within the Office of Environmental Management of U.S. Department of Energy (US DOE). The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that improve understanding and predictions of the long-term hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program are intended to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1,000 years for waste management purposes. CBP software tools were made available to selected DOE Office of Environmental Management and field site users for training and evaluation based on a set of important degradation scenarios, including sulfate ingress/attack and carbonation of cementitious materials. The tools were presented at two-day training workshops held at U.S. National Institute of Standards and Technology (NIST), Savannah River, and Hanford included LeachXS{sup TM}/ORCHESTRA, STADIUM{sup R}, and a CBP-developed GoldSim Dashboard interface. Collectively, these components form the CBP Software Toolbox. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF) were also presented. The CBP Dashboard uses a custom Dynamic-link library developed by CBP to couple to the LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} codes to simulate reactive transport and degradation in cementitious materials for selected performance assessment scenarios. The first day of the workshop introduced participants to the software components via presentation materials, and the second day included hands-on tutorial exercises followed

  19. Micro- and macroscale coefficients of friction of cementitious materials

    SciTech Connect

    Lomboy, Gilson; Sundararajan, Sriram; Wang, Kejin

    2013-12-15

    Millions of metric tons of cementitious materials are produced, transported and used in construction each year. The ease or difficulty of handling cementitious materials is greatly influenced by the material friction properties. In the present study, the coefficients of friction of cementitious materials were measured at the microscale and macroscale. The materials tested were commercially-available Portland cement, Class C fly ash, and ground granulated blast furnace slag. At the microscale, the coefficient of friction was determined from the interaction forces between cementitious particles using an Atomic Force Microscope. At the macroscale, the coefficient of friction was determined from stresses on bulk cementitious materials under direct shear. The study indicated that the microscale coefficient of friction ranged from 0.020 to 0.059, and the macroscale coefficient of friction ranged from 0.56 to 0.75. The fly ash studied had the highest microscale coefficient of friction and the lowest macroscale coefficient of friction. -- Highlights: •Microscale (interparticle) coefficient of friction (COF) was determined with AFM. •Macroscale (bulk) COF was measured under direct shear. •Fly ash had the highest microscale COF and the lowest macroscale COF. •Portland cement against GGBFS had the lowest microscale COF. •Portland cement against Portland cement had the highest macroscale COF.

  20. Temperature variability analysis using wavelets and multiscale entropy in patients with systemic inflammatory response syndrome, sepsis, and septic shock

    PubMed Central

    2012-01-01

    Background Even though temperature is a continuous quantitative variable, its measurement has been considered a snapshot of a process, indicating whether a patient is febrile or afebrile. Recently, other diagnostic techniques have been proposed for the association between different properties of the temperature curve with severity of illness in the Intensive Care Unit (ICU), based on complexity analysis of continuously monitored body temperature. In this study, we tried to assess temperature complexity in patients with systemic inflammation during a suspected ICU-acquired infection, by using wavelets transformation and multiscale entropy of temperature signals, in a cohort of mixed critically ill patients. Methods Twenty-two patients were enrolled in the study. In five, systemic inflammatory response syndrome (SIRS, group 1) developed, 10 had sepsis (group 2), and seven had septic shock (group 3). All temperature curves were studied during the first 24 hours of an inflammatory state. A wavelet transformation was applied, decomposing the signal in different frequency components (scales) that have been found to reflect neurogenic and metabolic inputs on temperature oscillations. Wavelet energy and entropy per different scales associated with complexity in specific frequency bands and multiscale entropy of the whole signal were calculated. Moreover, a clustering technique and a linear discriminant analysis (LDA) were applied for permitting pattern recognition in data sets and assessing diagnostic accuracy of different wavelet features among the three classes of patients. Results Statistically significant differences were found in wavelet entropy between patients with SIRS and groups 2 and 3, and in specific ultradian bands between SIRS and group 3, with decreased entropy in sepsis. Cluster analysis using wavelet features in specific bands revealed concrete clusters closely related with the groups in focus. LDA after wrapper-based feature selection was able to classify

  1. The NASA-Goddard Multi-Scale Modeling Framework - Land Information System: Global Land/atmosphere Interaction with Resolved Convection

    NASA Technical Reports Server (NTRS)

    Mohr, Karen Irene; Tao, Wei-Kuo; Chern, Jiun-Dar; Kumar, Sujay V.; Peters-Lidard, Christa D.

    2013-01-01

    The present generation of general circulation models (GCM) use parameterized cumulus schemes and run at hydrostatic grid resolutions. To improve the representation of cloud-scale moist processes and landeatmosphere interactions, a global, Multi-scale Modeling Framework (MMF) coupled to the Land Information System (LIS) has been developed at NASA-Goddard Space Flight Center. The MMFeLIS has three components, a finite-volume (fv) GCM (Goddard Earth Observing System Ver. 4, GEOS-4), a 2D cloud-resolving model (Goddard Cumulus Ensemble, GCE), and the LIS, representing the large-scale atmospheric circulation, cloud processes, and land surface processes, respectively. The non-hydrostatic GCE model replaces the single-column cumulus parameterization of fvGCM. The model grid is composed of an array of fvGCM gridcells each with a series of embedded GCE models. A horizontal coupling strategy, GCE4fvGCM4Coupler4LIS, offered significant computational efficiency, with the scalability and I/O capabilities of LIS permitting landeatmosphere interactions at cloud-scale. Global simulations of 2007e2008 and comparisons to observations and reanalysis products were conducted. Using two different versions of the same land surface model but the same initial conditions, divergence in regional, synoptic-scale surface pressure patterns emerged within two weeks. The sensitivity of largescale circulations to land surface model physics revealed significant functional value to using a scalable, multi-model land surface modeling system in global weather and climate prediction.

  2. A Novel Method to Verify Multilevel Computational Models of Biological Systems Using Multiscale Spatio-Temporal Meta Model Checking.

    PubMed

    Pârvu, Ovidiu; Gilbert, David

    2016-01-01

    Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour

  3. A Novel Method to Verify Multilevel Computational Models of Biological Systems Using Multiscale Spatio-Temporal Meta Model Checking

    PubMed Central

    Gilbert, David

    2016-01-01

    Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour

  4. A Novel Method to Verify Multilevel Computational Models of Biological Systems Using Multiscale Spatio-Temporal Meta Model Checking.

    PubMed

    Pârvu, Ovidiu; Gilbert, David

    2016-01-01

    Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour

  5. Alkali-activated cementitious materials: Mechanisms, microstructure and properties

    NASA Astrophysics Data System (ADS)

    Jiang, Weimin

    The goal of this study was to examine the activation reaction, microstructure, properties, identify the mechanisms of activation, and achieve an enhanced understanding of activation processes occurring during the synthesis of alkali activated cementitious materials (AAC). The discussions classify the following categories. (1) alkali activated slag cement; (2) alkali activated portland-slag cement; (3) alkali activated fly ash-slag cement; (4) alkali activated pozzolana-lime cement; (5) alkali activated pozzolana cement. The activators involved are NaOH, KOH; Nasb2SOsb4;\\ Nasb2COsb3;\\ CaSOsb4, and soluble silicate of sodium and potassium. The effect of alkali activation on the microstructure of these materials were analyzed at the micro-nanometer scale by SEM, EDS, ESEM, and TEM. Also sp{29}Si and sp{27}Al MAS-NMR, IR, Raman, TGA, and DTA were performed to characterize the phase in these systems. Slag, fly ash, silica fume, as well as blended cements containing mixtures of these and other components were characterized. A set of ordinary portland cement paste samples served as a control. This study confirmed that AAC materials have great potential because they could generate very early high strength, greater durability and high performance. Among the benefits to be derived from this research is a better understanding of the factors that control concrete properties when using AAC materials, and by controlling the chemistry and processing to produce desired microstructures and properties, as well as their durability.

  6. Bioreceptivity evaluation of cementitious materials designed to stimulate biological growth.

    PubMed

    Manso, Sandra; De Muynck, Willem; Segura, Ignacio; Aguado, Antonio; Steppe, Kathy; Boon, Nico; De Belie, Nele

    2014-05-15

    Ordinary Portland cement (OPC), the most used binder in construction, presents some disadvantages in terms of pollution (CO2 emissions) and visual impact. For this reason, green roofs and façades have gain considerable attention in the last decade as a way to integrate nature in cities. These systems, however, suffer from high initial and maintenance costs. An alternative strategy to obtain green facades is the direct natural colonisation of the cementitious construction materials constituting the wall, a phenomenon governed by the bioreceptivity of such material. This work aims at assessing the suitability of magnesium phosphate cement (MPC) materials to allow a rapid natural colonisation taking carbonated OPC samples as a reference material. For that, the aggregate size, the w/c ratio and the amount of cement paste of mortars made of both binders were modified. The assessment of the different bioreceptivities was conducted by means of an accelerated algal fouling test. MPC samples exhibited a faster fouling compared to OPC samples, which could be mainly attributed to the lower pH of the MPC binder. In addition to the binder, the fouling rate was governed by the roughness and the porosity of the material. MPC mortar with moderate porosity and roughness appears to be the most feasible material to be used for the development of green concrete walls. PMID:24602907

  7. Bioreceptivity evaluation of cementitious materials designed to stimulate biological growth.

    PubMed

    Manso, Sandra; De Muynck, Willem; Segura, Ignacio; Aguado, Antonio; Steppe, Kathy; Boon, Nico; De Belie, Nele

    2014-05-15

    Ordinary Portland cement (OPC), the most used binder in construction, presents some disadvantages in terms of pollution (CO2 emissions) and visual impact. For this reason, green roofs and façades have gain considerable attention in the last decade as a way to integrate nature in cities. These systems, however, suffer from high initial and maintenance costs. An alternative strategy to obtain green facades is the direct natural colonisation of the cementitious construction materials constituting the wall, a phenomenon governed by the bioreceptivity of such material. This work aims at assessing the suitability of magnesium phosphate cement (MPC) materials to allow a rapid natural colonisation taking carbonated OPC samples as a reference material. For that, the aggregate size, the w/c ratio and the amount of cement paste of mortars made of both binders were modified. The assessment of the different bioreceptivities was conducted by means of an accelerated algal fouling test. MPC samples exhibited a faster fouling compared to OPC samples, which could be mainly attributed to the lower pH of the MPC binder. In addition to the binder, the fouling rate was governed by the roughness and the porosity of the material. MPC mortar with moderate porosity and roughness appears to be the most feasible material to be used for the development of green concrete walls.

  8. Towards a Multiscale Approach to Cybersecurity Modeling

    SciTech Connect

    Hogan, Emilie A.; Hui, Peter SY; Choudhury, Sutanay; Halappanavar, Mahantesh; Oler, Kiri J.; Joslyn, Cliff A.

    2013-11-12

    We propose a multiscale approach to modeling cyber networks, with the goal of capturing a view of the network and overall situational awareness with respect to a few key properties--- connectivity, distance, and centrality--- for a system under an active attack. We focus on theoretical and algorithmic foundations of multiscale graphs, coming from an algorithmic perspective, with the goal of modeling cyber system defense as a specific use case scenario. We first define a notion of \\emph{multiscale} graphs, in contrast with their well-studied single-scale counterparts. We develop multiscale analogs of paths and distance metrics. As a simple, motivating example of a common metric, we present a multiscale analog of the all-pairs shortest-path problem, along with a multiscale analog of a well-known algorithm which solves it. From a cyber defense perspective, this metric might be used to model the distance from an attacker's position in the network to a sensitive machine. In addition, we investigate probabilistic models of connectivity. These models exploit the hierarchy to quantify the likelihood that sensitive targets might be reachable from compromised nodes. We believe that our novel multiscale approach to modeling cyber-physical systems will advance several aspects of cyber defense, specifically allowing for a more efficient and agile approach to defending these systems.

  9. Precision Closed-Loop Orbital Maneuvering System Design and Performance for the Magnetospheric Multi-Scale Mission (MMS) Formation

    NASA Technical Reports Server (NTRS)

    Chai, Dean; Queen, Steve; Placanica, Sam

    2015-01-01

    NASA's Magnetospheric Multi-Scale (MMS) mission successfully launched on March 13, 2015 (UTC) consists of four identically instrumented spin-stabilized observatories that function as a constellation to study magnetic reconnection in space. The need to maintain sufficiently accurate spatial and temporal formation resolution of the observatories must be balanced against the logistical constraints of executing overly-frequent maneuvers on a small fleet of spacecraft. These two considerations make for an extremely challenging maneuver design problem. This paper focuses on the design elements of a 6-DOF spacecraft attitude control and maneuvering system capable of delivering the high-precision adjustments required by the constellation designers---specifically, the design, implementation, and on-orbit performance of the closed-loop formation-class maneuvers that include initialization, maintenance, and re-sizing. The maneuvering control system flown on MMS utilizes a micro-gravity resolution accelerometer sampled at a high rate in order to achieve closed-loop velocity tracking of an inertial target with arc-minute directional and millimeter-per-second magnitude accuracy. This paper summarizes the techniques used for correcting bias drift, sensor-head offsets, and centripetal aliasing in the acceleration measurements. It also discusses the on-board pre-maneuver calibration and compensation algorithms as well as the implementation of the post-maneuver attitude adjustments.

  10. A Combined In Vitro Imaging and Multi-Scale Modeling System for Studying the Role of Cell Matrix Interactions in Cutaneous Wound Healing.

    PubMed

    De Jesus, Aribet M; Aghvami, Maziar; Sander, Edward A

    2016-01-01

    Many cell types remodel the extracellular matrix of the tissues they inhabit in response to a wide range of environmental stimuli, including mechanical cues. Such is the case in dermal wound healing, where fibroblast migrate into and remodel the provisional fibrin matrix in a complex manner that depends in part on the local mechanical environment and the evolving multi-scale mechanical interactions of the system. In this study, we report on the development of an image-based multi-scale mechanical model that predicts the short-term (24 hours), structural reorganization of a fibrin gel by fibroblasts. These predictive models are based on an in vitro experimental system where clusters of fibroblasts (i.e., explants) were spatially arranged into a triangular geometry onto the surface of fibrin gels that were subjected to either Fixed or Free in-plane mechanical constraints. Experimentally, regional differences in short-term structural remodeling and cell migration were observed for the two gel boundary conditions. A pilot experiment indicated that these small differences in the short-term remodeling of the fibrin gel translate into substantial differences in long-term (4 weeks) remodeling, particularly in terms of collagen production. The multi-scale models were able to predict some regional differences in remodeling and qualitatively similar reorganization patterns for the two boundary conditions. However, other aspects of the model, such as the magnitudes and rates of deformation of gel, did not match the experiments. These discrepancies between model and experiment provide fertile ground for challenging model assumptions and devising new experiments to enhance our understanding of how this multi-scale system functions. These efforts will ultimately improve the predictions of the remodeling process, particularly as it relates to dermal wound healing and the reduction of patient scarring. Such models could be used to recommend patient-specific mechanical

  11. A Combined In Vitro Imaging and Multi-Scale Modeling System for Studying the Role of Cell Matrix Interactions in Cutaneous Wound Healing

    PubMed Central

    2016-01-01

    Many cell types remodel the extracellular matrix of the tissues they inhabit in response to a wide range of environmental stimuli, including mechanical cues. Such is the case in dermal wound healing, where fibroblast migrate into and remodel the provisional fibrin matrix in a complex manner that depends in part on the local mechanical environment and the evolving multi-scale mechanical interactions of the system. In this study, we report on the development of an image-based multi-scale mechanical model that predicts the short-term (24 hours), structural reorganization of a fibrin gel by fibroblasts. These predictive models are based on an in vitro experimental system where clusters of fibroblasts (i.e., explants) were spatially arranged into a triangular geometry onto the surface of fibrin gels that were subjected to either Fixed or Free in-plane mechanical constraints. Experimentally, regional differences in short-term structural remodeling and cell migration were observed for the two gel boundary conditions. A pilot experiment indicated that these small differences in the short-term remodeling of the fibrin gel translate into substantial differences in long-term (4 weeks) remodeling, particularly in terms of collagen production. The multi-scale models were able to predict some regional differences in remodeling and qualitatively similar reorganization patterns for the two boundary conditions. However, other aspects of the model, such as the magnitudes and rates of deformation of gel, did not match the experiments. These discrepancies between model and experiment provide fertile ground for challenging model assumptions and devising new experiments to enhance our understanding of how this multi-scale system functions. These efforts will ultimately improve the predictions of the remodeling process, particularly as it relates to dermal wound healing and the reduction of patient scarring. Such models could be used to recommend patient-specific mechanical

  12. THERMAL CONDUCTIVITY AND OTHER PROPERTIES OF CEMENTITIOUS GROUTS

    SciTech Connect

    ALLAN,M.

    1998-05-01

    The thermal conductivity and other properties cementitious grouts have been investigated in order to determine suitability of these materials for grouting vertical boreholes used with geothermal heat pumps. The roles of mix variables such as water/cement ratio, sand/cement ratio and superplasticizer dosage were measured. In addition to thermal conductivity, the cementitious grouts were also tested for bleeding, permeability, bond to HDPE pipe, shrinkage, coefficient of thermal expansion, exotherm, durability and environmental impact. This paper summarizes the results for selected grout mixes. Relatively high thermal conductivities were obtained and this leads to reduction in predicted bore length and installation costs. Improvements in shrinkage resistance and bonding were achieved.

  13. Thermal conductivity and other properties of cementitious grouts

    SciTech Connect

    Allan, M.

    1998-08-01

    The thermal conductivity and other properties cementitious grouts have been investigated in order to determine suitability of these materials for grouting vertical boreholes used with geothermal heat pumps. The roles of mix variables such as water/cement ratio, sand/cement ratio and superplasticizer dosage were measured. In addition to thermal conductivity, the cementitious grouts were also tested for bleeding, permeability, bond to HDPE pipe, shrinkage, coefficient of thermal expansion, exotherm, durability and environmental impact. This paper summarizes the results for selected grout mixes. Relatively high thermal conductivities were obtained and this leads to reduction in predicted bore length and installation costs. Improvements in shrinkage resistance and bonding were achieved.

  14. Cementitious Wasteforms for Immobilization of Low-Activity Radioactive Wastes

    SciTech Connect

    Wellman, Dawn M.; Bovaird, Chase C.; Parker, Kent E.; Mattigod, Shas V.; Clayton, Libby N.; Powers, Laura; Wood, Marcus I.

    2009-07-01

    Solidification of low-activity wastes with cementitious materials is a widely accepted technique that has the advantages of readily accessible materials, low cost, high physical strength, and easy tailoring for various waste streams. Concrete encasement contains and isolates the waste from the hydrologic environment. However, any failure of concrete encasement may result in water intrusion and consequent mobilization of radionuclides from the waste packages via mass flow and/or diffusion into the surrounding subsurface environment. A better understanding of the interactions of long-lived radionuclides in cemented matrices will ultimately lead to improved predictions of the long-term fate of these sequestered contaminants from cementitious waste forms.

  15. Multiscale reactive molecular dynamics

    PubMed Central

    Knight, Chris; Lindberg, Gerrick E.; Voth, Gregory A.

    2012-01-01

    Many processes important to chemistry, materials science, and biology cannot be described without considering electronic and nuclear-level dynamics and their coupling to slower, cooperative motions of the system. These inherently multiscale problems require computationally efficient and accurate methods to converge statistical properties. In this paper, a method is presented that uses data directly from condensed phase ab initio simulations to develop reactive molecular dynamics models that do not require predefined empirical functions. Instead, the interactions used in the reactive model are expressed as linear combinations of interpolating functions that are optimized by using a linear least-squares algorithm. One notable benefit of the procedure outlined here is the capability to minimize the number of parameters requiring nonlinear optimization. The method presented can be generally applied to multiscale problems and is demonstrated by generating reactive models for the hydrated excess proton and hydroxide ion based directly on condensed phase ab initio molecular dynamics simulations. The resulting models faithfully reproduce the water-ion structural properties and diffusion constants from the ab initio simulations. Additionally, the free energy profiles for proton transfer, which is sensitive to the structural diffusion of both ions in water, are reproduced. The high fidelity of these models to ab initio simulations will permit accurate modeling of general chemical reactions in condensed phase systems with computational efficiency orders of magnitudes greater than currently possible with ab initio simulation methods, thus facilitating a proper statistical sampling of the coupling to slow, large-scale motions of the system. PMID:23249062

  16. Science-Grade Observing Systems as Process Observatories: Mapping and Understanding Nonlinearity and Multiscale Memory with Models and Observations

    NASA Astrophysics Data System (ADS)

    Barros, A. P.; Wilson, A. M.; Miller, D. K.; Tao, J.; Genereux, D. P.; Prat, O.; Petersen, W. A.; Brunsell, N. A.; Petters, M. D.; Duan, Y.

    2015-12-01

    Using the planet as a study domain and collecting observations over unprecedented ranges of spatial and temporal scales, NASA's EOS (Earth Observing System) program was an agent of transformational change in Earth Sciences over the last thirty years. The remarkable space-time organization and variability of atmospheric and terrestrial moist processes that emerged from the analysis of comprehensive satellite observations provided much impetus to expand the scope of land-atmosphere interaction studies in Hydrology and Hydrometeorology. Consequently, input and output terms in the mass and energy balance equations evolved from being treated as fluxes that can be used as boundary conditions, or forcing, to being viewed as dynamic processes of a coupled system interacting at multiple scales. Measurements of states or fluxes are most useful if together they map, reveal and/or constrain the underlying physical processes and their interactions. This can only be accomplished through an integrated observing system designed to capture the coupled physics, including nonlinear feedbacks and tipping points. Here, we first review and synthesize lessons learned from hydrometeorology studies in the Southern Appalachians and in the Southern Great Plains using both ground-based and satellite observations, physical models and data-assimilation systems. We will specifically focus on mapping and understanding nonlinearity and multiscale memory of rainfall-runoff processes in mountainous regions. It will be shown that beyond technical rigor, variety, quantity and duration of measurements, the utility of observing systems is determined by their interpretive value in the context of physical models to describe the linkages among different observations. Second, we propose a framework for designing science-grade and science-minded process-oriented integrated observing and modeling platforms for hydrometeorological studies.

  17. Modeling the Effects of Light and Sucrose on In Vitro Propagated Plants: A Multiscale System Analysis Using Artificial Intelligence Technology

    PubMed Central

    Gago, Jorge; Martínez-Núñez, Lourdes; Landín, Mariana; Flexas, Jaume; Gallego, Pedro P.

    2014-01-01

    Background Plant acclimation is a highly complex process, which cannot be fully understood by analysis at any one specific level (i.e. subcellular, cellular or whole plant scale). Various soft-computing techniques, such as neural networks or fuzzy logic, were designed to analyze complex multivariate data sets and might be used to model large such multiscale data sets in plant biology. Methodology and Principal Findings In this study we assessed the effectiveness of applying neuro-fuzzy logic to modeling the effects of light intensities and sucrose content/concentration in the in vitro culture of kiwifruit on plant acclimation, by modeling multivariate data from 14 parameters at different biological scales of organization. The model provides insights through application of 14 sets of straightforward rules and indicates that plants with lower stomatal aperture areas and higher photoinhibition and photoprotective status score best for acclimation. The model suggests the best condition for obtaining higher quality acclimatized plantlets is the combination of 2.3% sucrose and photonflux of 122–130 µmol m−2 s−1. Conclusions Our results demonstrate that artificial intelligence models are not only successful in identifying complex non-linear interactions among variables, by integrating large-scale data sets from different levels of biological organization in a holistic plant systems-biology approach, but can also be used successfully for inferring new results without further experimental work. PMID:24465829

  18. An in silico case study of idiopathic dilated cardiomyopathy via a multi-scale model of the cardiovascular system.

    PubMed

    Bhattacharya-Ghosh, Benjamin; Bozkurt, Selim; Rutten, Marcel C M; van de Vosse, Frans N; Díaz-Zuccarini, Vanessa

    2014-10-01

    Mathematical modelling has been used to comprehend the pathology and the assessment of different treatment techniques such as heart failure and left ventricular assist device therapy in the cardiovascular field. In this study, an in-silico model of the heart is developed to understand the effects of idiopathic dilated cardiomyopathy (IDC) as a pathological scenario, with mechanisms described at the cellular, protein and organ levels. This model includes the right and left atria and ventricles, as well as the systemic and pulmonary arteries and veins. First, a multi-scale model of the whole heart is simulated for healthy conditions. Subsequently, the model is modified at its microscopic and macroscopic spatial scale to obtain the characteristics of IDC. The extracellular calcium concentration, the binding affinity of calcium binding proteins and the maximum and minimum elastances have been identified as key parameters across all relevant scales. The modified parameters cause a change in (a) intracellular calcium concentration characterising cellular properties, such as calcium channel currents or the action potential, (b) the proteins being involved in the sliding filament mechanism and the proportion of the attached crossbridges at the protein level, as well as (c) the pressure and volume values at the organ level. This model allows to obtain insight and understanding of the effects of the treatment techniques, from a physiological and biological point of view. PMID:25147131

  19. An in silico case study of idiopathic dilated cardiomyopathy via a multi-scale model of the cardiovascular system.

    PubMed

    Bhattacharya-Ghosh, Benjamin; Bozkurt, Selim; Rutten, Marcel C M; van de Vosse, Frans N; Díaz-Zuccarini, Vanessa

    2014-10-01

    Mathematical modelling has been used to comprehend the pathology and the assessment of different treatment techniques such as heart failure and left ventricular assist device therapy in the cardiovascular field. In this study, an in-silico model of the heart is developed to understand the effects of idiopathic dilated cardiomyopathy (IDC) as a pathological scenario, with mechanisms described at the cellular, protein and organ levels. This model includes the right and left atria and ventricles, as well as the systemic and pulmonary arteries and veins. First, a multi-scale model of the whole heart is simulated for healthy conditions. Subsequently, the model is modified at its microscopic and macroscopic spatial scale to obtain the characteristics of IDC. The extracellular calcium concentration, the binding affinity of calcium binding proteins and the maximum and minimum elastances have been identified as key parameters across all relevant scales. The modified parameters cause a change in (a) intracellular calcium concentration characterising cellular properties, such as calcium channel currents or the action potential, (b) the proteins being involved in the sliding filament mechanism and the proportion of the attached crossbridges at the protein level, as well as (c) the pressure and volume values at the organ level. This model allows to obtain insight and understanding of the effects of the treatment techniques, from a physiological and biological point of view.

  20. A Computational Systems Biology Software Platform for Multiscale Modeling and Simulation: Integrating Whole-Body Physiology, Disease Biology, and Molecular Reaction Networks

    PubMed Central

    Eissing, Thomas; Kuepfer, Lars; Becker, Corina; Block, Michael; Coboeken, Katrin; Gaub, Thomas; Goerlitz, Linus; Jaeger, Juergen; Loosen, Roland; Ludewig, Bernd; Meyer, Michaela; Niederalt, Christoph; Sevestre, Michael; Siegmund, Hans-Ulrich; Solodenko, Juri; Thelen, Kirstin; Telle, Ulrich; Weiss, Wolfgang; Wendl, Thomas; Willmann, Stefan; Lippert, Joerg

    2011-01-01

    Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multiscale by nature, project work, and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim® and MoBi® capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug–drug, or drug–metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach. PMID:21483730

  1. Numerical estimation of transport properties of cementitious materials using 3D digital images

    NASA Astrophysics Data System (ADS)

    Ukrainczyk, N.; Koenders, E. A. B.; van Breugel, K.

    2013-07-01

    A multi-scale characterisation of the transport process within cementitious microstructure possesses a great challenge in terms of modelling and schematization. In this paper a numerical method is proposed to mitigate the resolution problems in numerical methods for calculating effective transport properties of porous materials using 3D digital images. The method up-scales sub-voxel information from the fractional occupancy level of the interface voxels, i.e. voxels containing phaseboundary, to increase the accuracy of the pore schematization and hence the accuracy of the numerical transport calculation as well. The numerical identification of the subvoxels that is associated with their level of occupancy by each phase is obtained by increasing the pre-processing resolution. The proposed method is presented and employed for hydrated cement paste microstructures obtained from Hymostruc, a numerical model for cement hydration and microstructure simulation. The new method significantly reduces computational efforts, is relatively easy to implement, and improves the accuracy of the estimation of the effective transport property.

  2. Frequency Characteristics of Acoustic Emission Signals from Cementitious Waste-forms with Encapsulated Al

    SciTech Connect

    Spasova, Lyubka M.; Ojovan, Michael I.

    2007-07-01

    Acoustic emission (AE) signals were continuously recorded and their intrinsic frequency characteristics examined in order to evaluate the mechanical performance of cementitious wasteform samples with encapsulated Al waste. The primary frequency in the power spectrum and its range of intensity for the detected acoustic waves were potentially related with appearance of different micro-mechanical events caused by Al corrosion within the encapsulating cement system. In addition the process of cement matrix hardening has been shown as a source of AE signals characterized with essentially higher primary frequency (above 2 MHz) compared with those due to Al corrosion development (below 40 kHz) and cement cracking (above 100 kHz). (authors)

  3. On multiscale entropy analysis for physiological data

    NASA Astrophysics Data System (ADS)

    Thuraisingham, Ranjit A.; Gottwald, Georg A.

    2006-07-01

    We perform an analysis of cardiac data using multiscale entropy as proposed in Costa et al. [Multiscale entropy analysis of complex physiological time series, Phys. Rev. Lett. 89 (2002) 068102]. We reproduce the signatures of the multiscale entropy for the three cases of young healthy hearts, atrial fibrillation and congestive heart failure. We show that one has to be cautious how to interpret these signatures in terms of the underlying dynamics. In particular, we show that different dynamical systems can exhibit the same signatures depending on the sampling time, and that similar systems may have different signatures depending on the time scales involved. Besides the total amount of data we identify the sampling time, the correlation time and the period of possible nonlinear oscillations as important time scales which have to be involved in a detailed analysis of the signatures of multiscale entropies. We illustrate our ideas with the Lorenz equation as a simple deterministic chaotic system.

  4. Towards systems biology of the gravity response of higher plants -multiscale analysis of Arabidopsis thaliana root growth

    NASA Astrophysics Data System (ADS)

    Palme, Klaus; Aubry, D.; Bensch, M.; Schmidt, T.; Ronneberger, O.; Neu, C.; Li, X.; Wang, H.; Santos, F.; Wang, B.; Paponov, I.; Ditengou, F. A.; Teale, W. T.; Volkmann, D.; Baluska, F.; Nonis, A.; Trevisan, S.; Ruperti, B.; Dovzhenko, A.

    Gravity plays a fundamental role in plant growth and development. Up to now, little is known about the molecular organisation of the signal transduction cascades and networks which co-ordinate gravity perception and response. By using an integrated systems biological approach, a systems analysis of gravity perception and the subsequent tightly-regulated growth response is planned in the model plant Arabidopsis thaliana. This approach will address questions such as: (i) what are the components of gravity signal transduction pathways? (ii) what are the dynamics of these components? (iii) what is their spatio-temporal regulation in different tis-sues? Using Arabidopsis thaliana as a model-we use root growth to obtain insights in the gravity response. New techniques enable identification of the individual genes affected by grav-ity and further integration of transcriptomics and proteomics data into interaction networks and cell communication events that operate during gravitropic curvature. Using systematic multiscale analysis we have identified regulatory networks consisting of transcription factors, the protein degradation machinery, vesicle trafficking and cellular signalling during the gravire-sponse. We developed approach allowing to incorporate key features of the root system across all relevant spatial and temporal scales to describe gene-expression patterns and correlate them with individual gene and protein functions. Combination of high-resolution microscopy and novel computational tools resulted in development of the root 3D model in which quantitative descriptions of cellular network properties and of multicellular interactions important in root growth and gravitropism can be integrated for the first time.

  5. The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems

    NASA Astrophysics Data System (ADS)

    Das, Avisek; Lu, Lanyuan; Andersen, Hans C.; Voth, Gregory A.

    2012-05-01

    The multiscale coarse-graining (MS-CG) method uses simulation data for an atomistic model of a system to construct a coarse-grained (CG) potential for a coarse-grained model of the system. The CG potential is a variational approximation for the true potential of mean force of the degrees of freedom retained in the CG model. The variational calculation uses information about the atomistic positions and forces in the simulation data. In principle, the resulting MS-CG potential will be an accurate representation of the true CG potential if the basis set for the variational calculation is complete enough and the canonical distribution of atomistic states is well sampled by the data set. In practice, atomistic configurations that have very high potential energy are not sampled. As a result there usually is a region of CG configuration space that is not sampled and about which the data set contains no information regarding the gradient of the true potential. The MS-CG potential obtained from a variational calculation will not necessarily be accurate in this unsampled region. A priori considerations make it clear that the true CG potential of mean force must be very large and positive in that region. To obtain an MS-CG potential whose behavior in the sampled region is determined by the atomistic data set, and whose behavior in the unsampled region is large and positive, it is necessary to intervene in the variational calculation in some way. In this paper, we discuss and compare two such methods of intervention, which have been used in previous MS-CG calculations for dealing with nonbonded interactions. For the test systems studied, the two methods give similar results and yield MS-CG potentials that are limited in accuracy only by the incompleteness of the basis set and the statistical error of associated with the set of atomistic configurations used. The use of such methods is important for obtaining accurate CG potentials.

  6. Phosphate Ions - Does Exposure Lead to Degradation of Cementitious Materials?

    SciTech Connect

    Naus, Dan J; Mattus, Catherine H; Dole, Leslie Robert

    2008-01-01

    An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a "bench-scale" laboratory investigation. Results indicate that no harmful interactions occur between phosphate ions and cememtitious materials unless phosphates are present in form of phosphoric acid.

  7. Ancient analogues concerning stability and durability of cementitious wasteform

    SciTech Connect

    Jiang, W.; Roy, D.M.

    1994-12-31

    The history of cementitious materials goes back to ancient times. The Greeks and Romans used calcined limestone and later developed pozzolanic cement by grinding together lime and volcanic ash called {open_quotes}pozzolan{close_quotes} which was first found near Port Pozzuoli, Italy. The ancient Chinese used lime-pozzolanic mixes to build the Great Wall. The ancient Egyptians used calcined impure gypsum to build the Great Pyramid of Cheops. The extraordinary stability and durability of these materials has impressed us, when so much dramatically damaged infrastructure restored by using modern portland cement now requires rebuilding. Stability and durability of cementitious materials have attracted intensive research interest and contractors` concerns, as does immobilization of radioactive and hazardous industrial waste in cementitious materials. Nuclear waste pollution of the environment and an acceptable solution for waste management and disposal constitute among the most important public concerns. The analogy of ancient cementitious materials to modern Portland cement could give us some clues to study their stability and durability. This present study examines selected results of studies of ancient building materials from France, Italy, China, and Egypt, combined with knowledge obtained from the behavior of modern portland cement to evaluate the potential for stability and durability of such materials in nuclear waste forms.

  8. Simulating Nationwide Pandemics: Applying the Multi-scale Epidemiologic Simulation and Analysis System to Human Infectious Diseases

    SciTech Connect

    Dombroski, M; Melius, C; Edmunds, T; Banks, L E; Bates, T; Wheeler, R

    2008-09-24

    This study uses the Multi-scale Epidemiologic Simulation and Analysis (MESA) system developed for foreign animal diseases to assess consequences of nationwide human infectious disease outbreaks. A literature review identified the state of the art in both small-scale regional models and large-scale nationwide models and characterized key aspects of a nationwide epidemiological model. The MESA system offers computational advantages over existing epidemiological models and enables a broader array of stochastic analyses of model runs to be conducted because of those computational advantages. However, it has only been demonstrated on foreign animal diseases. This paper applied the MESA modeling methodology to human epidemiology. The methodology divided 2000 US Census data at the census tract level into school-bound children, work-bound workers, elderly, and stay at home individuals. The model simulated mixing among these groups by incorporating schools, workplaces, households, and long-distance travel via airports. A baseline scenario with fixed input parameters was run for a nationwide influenza outbreak using relatively simple social distancing countermeasures. Analysis from the baseline scenario showed one of three possible results: (1) the outbreak burned itself out before it had a chance to spread regionally, (2) the outbreak spread regionally and lasted a relatively long time, although constrained geography enabled it to eventually be contained without affecting a disproportionately large number of people, or (3) the outbreak spread through air travel and lasted a long time with unconstrained geography, becoming a nationwide pandemic. These results are consistent with empirical influenza outbreak data. The results showed that simply scaling up a regional small-scale model is unlikely to account for all the complex variables and their interactions involved in a nationwide outbreak. There are several limitations of the methodology that should be explored in future

  9. Quantifying moisture transport in cementitious materials using neutron radiography

    NASA Astrophysics Data System (ADS)

    Lucero, Catherine L.

    A portion of the concrete pavements in the US have recently been observed to have premature joint deterioration. This damage is caused in part by the ingress of fluids, like water, salt water, or deicing salts. The ingress of these fluids can damage concrete when they freeze and expand or can react with the cementitious matrix causing damage. To determine the quality of concrete for assessing potential service life it is often necessary to measure the rate of fluid ingress, or sorptivity. Neutron imaging is a powerful method for quantifying fluid penetration since it can describe where water has penetrated, how quickly it has penetrated and the volume of water in the concrete or mortar. Neutrons are sensitive to light atoms such as hydrogen and thus clearly detect water at high spatial and temporal resolution. It can be used to detect small changes in moisture content and is ideal for monitoring wetting and drying in mortar exposed to various fluids. This study aimed at developing a method to accurately estimate moisture content in mortar. The common practice is to image the material dry as a reference before exposing to fluid and normalizing subsequent images to the reference. The volume of water can then be computed using the Beer-Lambert law. This method can be limiting because it requires exact image alignment between the reference image and all subsequent images. A model of neutron attenuation in a multi-phase cementitious composite was developed to be used in cases where a reference image is not available. The attenuation coefficients for water, un-hydrated cement, and sand were directly calculated from the neutron images. The attenuation coefficient for the hydration products was then back-calculated. The model can estimate the degree of saturation in a mortar with known mixture proportions without using a reference image for calculation. Absorption in mortars exposed to various fluids (i.e., deionized water and calcium chloride solutions) were investigated

  10. Conductivity-based strain monitoring and damage characterization of fiber reinforced cementitious structural components

    NASA Astrophysics Data System (ADS)

    Hou, Tsung-Chin; Lynch, Jerome P.

    2005-05-01

    In recent years, a new class of cementitious composite has been proposed for the design and construction of durable civil structures. Termed engineered cementitious composites (ECC), ECC utilizes a low volume fraction of short fibers (polymer, steel, carbon) within a cementitious matrix resulting in a composite that strain hardens when loaded in tension. By refining the mechanical properties of the fiber-cement interface, the material exhibits high tolerance to damage. This study explores the electrical properties of ECC materials to monitor their performance and health when employed in the construction of civil structures. In particular, the conductivity of ECC changes in proportion to strain indicating that the material is piezoresistive. In this paper, the piezoresistive properties of various ECC composites are thoroughly explored. To measure the electrical resistance of ECC structures in the field, a low-cost wireless active sensing unit is proposed. The wireless active sensing unit is capable of applying DC and AC voltage signals to ECC elements while simultaneously measuring their corresponding voltages away from the signal input. By locally processing the corresponding input-output electrical signals recorded by the wireless active sensing units, the magnitude of strain in ECC elements can be calculated. In addition to measuring strain, the study seeks to correlate changes in ECC electrical properties to the magnitude of crack damage witnessed in tested specimens. A large number of ECC specimens are tested in the laboratory including a large-scale ECC bridge pier laterally loaded under cyclically repeated drift reversals. The novel self-sensing properties of ECC exploited by a wireless monitoring system hold tremendous promise for the advancement of structural health monitoring of ECC structures.

  11. The Expanded Capabilities Of The Cementitious Barriers Partnership Software Toolbox Version 2.0 - 14331

    SciTech Connect

    Burns, Heather; Flach, Greg; Smith, Frank; Langton, Christine; Brown, Kevin; Kosson, David; Samson, Eric; Mallick, Pramod

    2014-01-10

    The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. The CBP Software Toolbox – “Version 1.0” was released early in FY2013 and was used to support DOE-EM performance assessments in evaluating various degradation mechanisms that included sulfate attack, carbonation and constituent leaching. The sulfate attack analysis predicted the extent and damage that sulfate ingress will have on concrete vaults over extended time (i.e., > 1000 years) and the carbonation analysis provided concrete degradation predictions from rebar corrosion. The new release “Version 2.0” includes upgraded carbonation software and a new software module to evaluate degradation due to chloride attack. Also included in the newer version are a dual regime module allowing evaluation of contaminant release in two regimes – both fractured and un-fractured. The integrated software package has also been upgraded with new plotting capabilities and many other features that increase the “user-friendliness” of the package. Experimental work has been generated to provide data to calibrate the models to improve the credibility of the analysis and reduce the uncertainty. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox is and will continue to produce tangible benefits to the working DOE

  12. Method for the production of cementitious compositions and aggregate derivatives from said compositions, and cementitious compositions and aggregates produced thereby

    DOEpatents

    Minnick, L. John

    1983-01-01

    The present invention relates to a method for preparing synthetic shaped cementitious compositions having high quality even without the addition of high energy binders, such as portland cement, through the use of the spent residue from a fluidized combustion bed of the type wherein limestone particles are suspended in a fluidized medium and sulfur oxides are captured, and pulverized coal fly ash.

  13. RC beams shear-strengthened with fabric-reinforced-cementitious-matrix (FRCM) composite

    NASA Astrophysics Data System (ADS)

    Loreto, Giovanni; Babaeidarabad, Saman; Leardini, Lorenzo; Nanni, Antonio

    2015-12-01

    The interest in retrofit/rehabilitation of existing concrete structures has increased due to degradation and/or introduction of more stringent design requirements. Among the externally-bonded strengthening systems fiber-reinforced polymers is the most widely known technology. Despite its effectiveness as a material system, the presence of an organic binder has some drawbacks that could be addressed by using in its place a cementitious binder as in fabric-reinforced cementitious matrix (FRCM) systems. The purpose of this paper is to evaluate the behavior of reinforced concrete (RC) beams strengthened in shear with U-wraps made of FRCM. An extensive experimental program was undertaken in order to understand and characterize this composite when used as a strengthening system. The laboratory results demonstrate the technical viability of FRCM for shear strengthening of RC beams. Based on the experimental and analytical results, FRCM increases shear strength but not proportionally to the number of fabric plies installed. On the other hand, FRCM failure modes are related with a high consistency to the amount of external reinforcement applied. Design considerations based on the algorithms proposed by ACI guidelines are also provided.

  14. Magnetospheric Multiscale (MMS) Orbit

    NASA Video Gallery

    This animation shows the orbits of Magnetospheric Multiscale (MMS) mission, a Solar-Terrestrial Probe mission comprising of four identically instrumented spacecraft that will study the Earth's magn...

  15. Cementitious Barriers Partnership FY2013 End-Year Report

    SciTech Connect

    Flach, G. P.; Langton, C. A.; Burns, H. H.; Smith, F. G.; Kosson, D. S.; Brown, K. G.; Samson, E.; Meeussen, J. C.L.; van der Sloot, H. A.; Garboczi, E. J.

    2013-11-01

    In FY2013, the Cementitious Barriers Partnership (CBP) demonstrated continued tangible progress toward fulfilling the objective of developing a set of software tools to improve understanding and prediction of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. In November 2012, the CBP released “Version 1.0” of the CBP Software Toolbox, a suite of software for simulating reactive transport in cementitious materials and important degradation phenomena. In addition, the CBP completed development of new software for the “Version 2.0” Toolbox to be released in early FY2014 and demonstrated use of the Version 1.0 Toolbox on DOE applications. The current primary software components in both Versions 1.0 and 2.0 are LeachXS/ORCHESTRA, STADIUM, and a GoldSim interface for probabilistic analysis of selected degradation scenarios. The CBP Software Toolbox Version 1.0 supports analysis of external sulfate attack (including damage mechanics), carbonation, and primary constituent leaching. Version 2.0 includes the additional analysis of chloride attack and dual regime flow and contaminant migration in fractured and non-fractured cementitious material. The LeachXS component embodies an extensive material property measurements database along with chemical speciation and reactive mass transport simulation cases with emphasis on leaching of major, trace and radionuclide constituents from cementitious materials used in DOE facilities, such as Saltstone (Savannah River) and Cast Stone (Hanford), tank closure grouts, and barrier concretes. STADIUM focuses on the physical and structural service life of materials and components based on chemical speciation and reactive mass transport of major cement constituents and aggressive species (e.g., chloride, sulfate, etc.). THAMES is a planned future CBP Toolbox component focused on simulation of the microstructure of cementitious materials and calculation of resultant

  16. LONG-TERM TECHNETIUM INTERACTIONS WITH REDUCING CEMENTITIOUS MATERIALS

    SciTech Connect

    Kaplan, D.; Lilley, M.; Almond, P.; Powell, B.

    2011-03-15

    Technetium is among the key risk drivers at the Saltstone Facility. The way that it is immobilized in this cementitious waste form is by converting its highly mobile Tc(VII) form to a much less mobile Tc(IV) form through reduction by the cement's blast furnace slag. This report includes a review of published data and experimental results dealing with Tc leaching from Portland cement waste forms. The objectives for the literature study were to document previous reports of Tc interactions with slag-containing cementitious materials. The objectives for the laboratory study were to measure Tc-saltstone Kd values under reducing conditions. From the literature it was concluded: (1) Spectroscopic evidence showed that when Tc(IV) in a slag-cement was exposed to an oxidizing environment, it will convert to the more mobile Tc(VII) species within a short time frame, 2.5 years. (2) SRS saltstone will reduce Tc(VII) in the absence of NaS or sodium dithionite in a reducing atmosphere. (3) Only trace concentrations of atmospheric oxygen (30 to 60 ppm O{sub 2}; Eh 120 mV) at the high pH levels of cementitious systems is required to maintain Tc as Tc(VII). (4) Experimental conditions must be responsible for wide variability of measured K{sub d} values, such that they are either very low, {approx}1 mL/g, or they are very high {approx}1000 mL/g, suggesting that Tc(VII) or Tc(IV) dominate the systems. Much of this variability appears to be the result of experimental conditions, especially direct controls of oxygen contact with the sample. (5) A field study conducted at SRS in the 1980s indicated that a slag-saltstone immobilized Tc for 2.5 years. Below background concentrations of Tc leached out of the slag-containing saltstone, whereas Tc leached out of the slag-free saltstone at the rate of nitrate loss. One possible explanation for the immobilization of Tc in this study was that the slag-saltstone maintained reducing conditions within the core of the 55-gallon sample, whereas in

  17. A Master-Slave Surveillance System to Acquire Panoramic and Multiscale Videos

    PubMed Central

    Shi, Hao

    2014-01-01

    This paper describes a master-slave visual surveillance system that uses stationary-dynamic camera assemblies to achieve wide field of view and selective focus of interest. In this system, the fish-eye panoramic camera is capable of monitoring a large area, and the PTZ dome camera has high mobility and zoom ability. In order to achieve the precise interaction, preprocessing spatial calibration between these two cameras is required. This paper introduces a novel calibration approach to automatically calculate a transformation matrix model between two coordinate systems by matching feature points. In addition, a distortion correction method based on Midpoint Circle Algorithm is proposed to handle obvious horizontal distortion in the captured panoramic image. Experimental results using realistic scenes have demonstrated the efficiency and applicability of the system with real-time surveillance. PMID:24729750

  18. Cementitious Grout for Closing SRS High Level Waste Tanks - 12315

    SciTech Connect

    Langton, C.A.; Stefanko, D.B.; Burns, H.H.; Waymer, J.; Mhyre, W.B.; Herbert, J.E.; Jolly, J.C. Jr.

    2012-07-01

    In 1997, the first two United States Department of Energy (US DOE) high level waste tanks (Tanks 17-F and 20-F: Type IV, single shell tanks) were taken out of service (permanently closed) at the Savannah River Site (SRS). In 2012, the DOE plans to remove from service two additional Savannah River Site (SRS) Type IV high-level waste tanks, Tanks 18-F and 19-F. These tanks were constructed in the late 1950's and received low-heat waste and do not contain cooling coils. Operational closure of Tanks 18-F and 19-F is intended to be consistent with the applicable requirements of the Resource Conservation and Recovery Act (RCRA) and the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and will be performed in accordance with South Carolina Department of Health and Environmental Control (SCDHEC). The closure will physically stabilize two 4.92E+04 cubic meter (1.3 E+06 gallon) carbon steel tanks and isolate and stabilize any residual contaminants left in the tanks. Ancillary equipment abandoned in the tanks will also be filled to the extent practical. A Performance Assessment (PA) has been developed to assess the long-term fate and transport of residual contamination in the environment resulting from the operational closure of the F-Area Tank Farm (FTF) waste tanks. Next generation flowable, zero-bleed cementitious grouts were designed, tested, and specified for closing Tanks 18-F and 19-F and for filling the abandoned equipment. Fill requirements were developed for both the tank and equipment grouts. All grout formulations were required to be alkaline with a pH of 12.4 and to be chemically reducing with a reduction potential (Eh) of -200 to -400. Grouts with this chemistry stabilize potential contaminants of concern. This was achieved by including Portland cement and Grade 100 slag in the mixes, respectively. Ingredients and proportions of cementitious reagents were selected and adjusted to support the mass placement strategy developed by

  19. Soil Moisture Processes in the Near Surface Unsaturated Zone: Experimental Investigations in Multi-scale Test Systems

    NASA Astrophysics Data System (ADS)

    Illangasekare, T. H.; Sakaki, T.; Smits, K. M.; Limsuwat, A.; Terrés-Nícoli, J. M.

    2008-12-01

    scale test systems together with instrumentation and measuring techniques. The features and capabilities of a new coupled porous media/climate wind tunnel test system that allows for the study of near surface unsaturated soil moisture conditions under climate boundary conditions will also be presented with the goal of exploring opportunities to use such a facility to study some of the multi-scale problems in the near surface unsaturated zone.

  20. The Magnetospheric Multiscale Constellation

    NASA Astrophysics Data System (ADS)

    Tooley, C. R.; Black, R. K.; Robertson, B. P.; Stone, J. M.; Pope, S. E.; Davis, G. T.

    2016-03-01

    The Magnetospheric Multiscale (MMS) mission is the fourth mission of the Solar Terrestrial Probe (STP) program of the National Aeronautics and Space Administration (NASA). The MMS mission was launched on March 12, 2015. The MMS mission consists of four identically instrumented spin-stabilized observatories which are flown in formation to perform the first definitive study of magnetic reconnection in space. The MMS mission was presented with numerous technical challenges, including the simultaneous construction and launch of four identical large spacecraft with 100 instruments total, stringent electromagnetic cleanliness requirements, closed-loop precision maneuvering and pointing of spinning flexible spacecraft, on-board GPS based orbit determination far above the GPS constellation, and a flight dynamics design that enables formation flying with separation distances as small as 10 km. This paper describes the overall mission design and presents an overview of the design, testing, and early on-orbit operation of the spacecraft systems and instrument suite.

  1. Strategies and Tactics in Multiscale Modeling of Cell-to-Organ Systems

    PubMed Central

    Bassingthwaighte, James B.; Chizeck, Howard Jay; Atlas, Les E.

    2010-01-01

    Modeling is essential to integrating knowledge of human physiology. Comprehensive self-consistent descriptions expressed in quantitative mathematical form define working hypotheses in testable and reproducible form, and though such models are always “wrong” in the sense of being incomplete or partly incorrect, they provide a means of understanding a system and improving that understanding. Physiological systems, and models of them, encompass different levels of complexity. The lowest levels concern gene signaling and the regulation of transcription and translation, then biophysical and biochemical events at the protein level, and extend through the levels of cells, tissues and organs all the way to descriptions of integrated systems behavior. The highest levels of organization represent the dynamically varying interactions of billions of cells. Models of such systems are necessarily simplified to minimize computation and to emphasize the key factors defining system behavior; different model forms are thus often used to represent a system in different ways. Each simplification of lower level complicated function reduces the range of accurate operability at the higher level model, reducing robustness, the ability to respond correctly to dynamic changes in conditions. When conditions change so that the complexity reduction has resulted in the solution departing from the range of validity, detecting the deviation is critical, and requires special methods to enforce adapting the model formulation to alternative reduced-form modules or decomposing the reduced-form aggregates to the more detailed lower level modules to maintain appropriate behavior. The processes of error recognition, and of mapping between different levels of model complexity and shifting the levels of complexity of models in response to changing conditions, are essential for adaptive modeling and computer simulation of large-scale systems in reasonable time. PMID:20463841

  2. Expectation-Maximization Algorithm Based System Identification of Multiscale Stochastic Models for Scale Recursive Estimation of Precipitation: Application to Model Validation and Multisensor Data Fusion

    NASA Astrophysics Data System (ADS)

    Gupta, R.; Venugopal, V.; Foufoula-Georgiou, E.

    2003-12-01

    Owing to the tremendous scale dependent variability of precipitation and discrepancies in scale or resolution among different types/sources of observations, comparing or merging observations at different scales, or validating Quantitative Precipitation Forecast (QPF) with observations is not trivial. Traditional methods of QPF (e.g., point to area) have been found deficient, and to alleviate some of the concerns, a new methodology called scale-recursive estimation (SRE) was introduced recently. This method, which has its root in Kalman filtering, can (i) handle disparate (in scale) measurement sources; (ii) account for observational uncertainty associated with each sensor; and (iii) incorporate a multiscale model (theoretical or empirical) which captures the observed scale-to-scale variability in precipitation. The result is an optimal (unbiased and minimum error variance) estimate at any desired scale along with its error statistics. Our preliminary studies have indicated that lognormal and bounded lognormal multiplicative cascades are the most successful candidates as state-propagation models for precipitation across a range of scales. However, the parameters of these models were found to be highly sensitive to the observed intermittency of precipitation fields. To address this problem, we have chosen to take a "system identification" approach instead of prescribing a priori the type of multiscale model. The first part of this work focuses on the use of Maximum Likelihood (ML) identification for estimating the parameters of a multiscale stochastic state space model directly from the given data. Expectation-Maximization (EM) algorithm is used to iteratively solve for ML estimates. The "expectation" step makes use of a Kalman smoother to estimate the state, while the "maximization" step re-estimates the parameters using these uncertain state estimates. Using high resolution forecast precipitation fields from ARPS (Advanced Regional Prediction System), concurrent

  3. Refined two-index entropy and multiscale analysis for complex system

    NASA Astrophysics Data System (ADS)

    Bian, Songhan; Shang, Pengjian

    2016-10-01

    As a fundamental concept in describing complex system, entropy measure has been proposed to various forms, like Boltzmann-Gibbs (BG) entropy, one-index entropy, two-index entropy, sample entropy, permutation entropy etc. This paper proposes a new two-index entropy Sq,δ and we find the new two-index entropy is applicable to measure the complexity of wide range of systems in the terms of randomness and fluctuation range. For more complex system, the value of two-index entropy is smaller and the correlation between parameter δ and entropy Sq,δ is weaker. By combining the refined two-index entropy Sq,δ with scaling exponent h(δ), this paper analyzes the complexities of simulation series and classifies several financial markets in various regions of the world effectively.

  4. Multi-scale 2D tracking of articulated objects using hierarchical spring systems.

    PubMed

    Artner, Nicole M; Ion, Adrian; Kropatsch, Walter G

    2011-04-01

    This paper presents a flexible framework to build a target-specific, part-based representation for arbitrary articulated or rigid objects. The aim is to successfully track the target object in 2D, through multiple scales and occlusions. This is realized by employing a hierarchical, iterative optimization process on the proposed representation of structure and appearance. Therefore, each rigid part of an object is described by a hierarchical spring system represented by an attributed graph pyramid. Hierarchical spring systems encode the spatial relationships of the features (attributes of the graph pyramid) describing the parts and enforce them by spring-like behavior during tracking. Articulation points connecting the parts of the object allow to transfer position information from reliable to ambiguous parts. Tracking is done in an iterative process by combining the hypotheses of simple trackers with the hypotheses extracted from the hierarchical spring systems.

  5. Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: partition in zones.

    PubMed

    Chang, Cristian; Calzado, Carmen J; Ben Amor, Nadia; Sanchez Marin, Jose; Maynau, Daniel

    2012-09-14

    A new multireference configuration interaction method using localised orbitals is proposed, in which a molecular system is divided into regions of unequal importance. The advantage of dealing with local orbitals, i.e., the possibility to neglect long range interaction is enhanced. Indeed, while in the zone of the molecule where the important phenomena occur, the interaction cut off may be as small as necessary to get relevant results, in the most part of the system it can be taken rather large, so that results of good quality may be obtained at a lower cost. The method is tested on several systems. In one of them, the definition of the various regions is not based on topological considerations, but on the nature, σ or π, of the localised orbitals, which puts in evidence the generality of the approach.

  6. Multi-Scale Hydrometeorological Modeling, Land Data Assimilation and Parameter Estimation with the Land Information System

    NASA Technical Reports Server (NTRS)

    Peters-Lidard, Christa D.

    2011-01-01

    The Land Information System (LIS; http://lis.gsfc.nasa.gov) is a flexible land surface modeling framework that has been developed with the goal of integrating satellite-and ground-based observational data products and advanced land surface modeling techniques to produce optimal fields of land surface states and fluxes. As such, LIS represents a step towards the next generation land component of an integrated Earth system model. In recognition of LIS object-oriented software design, use and impact in the land surface and hydrometeorological modeling community, the LIS software was selected as a co-winner of NASA?s 2005 Software of the Year award.LIS facilitates the integration of observations from Earth-observing systems and predictions and forecasts from Earth System and Earth science models into the decision-making processes of partnering agency and national organizations. Due to its flexible software design, LIS can serve both as a Problem Solving Environment (PSE) for hydrologic research to enable accurate global water and energy cycle predictions, and as a Decision Support System (DSS) to generate useful information for application areas including disaster management, water resources management, agricultural management, numerical weather prediction, air quality and military mobility assessment. LIS has e volved from two earlier efforts -- North American Land Data Assimilation System (NLDAS) and Global Land Data Assimilation System (GLDAS) that focused primarily on improving numerical weather prediction skills by improving the characterization of the land surface conditions. Both of GLDAS and NLDAS now use specific configurations of the LIS software in their current implementations.In addition, LIS was recently transitioned into operations at the US Air Force Weather Agency (AFWA) to ultimately replace their Agricultural Meteorology (AGRMET) system, and is also used routinely by NOAA's National Centers for Environmental Prediction (NCEP)/Environmental Modeling

  7. Multi-Scale Hydrometeorological Modeling, Land Data Assimilation and Parameter Estimation with the Land Information System

    NASA Technical Reports Server (NTRS)

    Peters-Lidard, Christa D.; Kumar, Sujay V.; Santanello, Joseph A., Jr.; Reichle, Rolf H.

    2009-01-01

    The Land Information System (LIS; http://lis.gsfc.nasa.gov; Kumar et al., 2006; Peters- Lidard et al.,2007) is a flexible land surface modeling framework that has been developed with the goal of integrating satellite- and ground-based observational data products and advanced land surface modeling techniques to produce optimal fields of land surface states and fluxes. As such, LIS represents a step towards the next generation land component of an integrated Earth system model. In recognition of LIS object-oriented software design, use and impact in the land surface and hydrometeorological modeling community, the LIS software was selected ase co-winner of NASA's 2005 Software of the Year award. LIS facilitates the integration of observations from Earth-observing systems and predictions and forecasts from Earth System and Earth science models into the decision-making processes of partnering agency and national organizations. Due to its flexible software design, LIS can serve both as a Problem Solving Environment (PSE) for hydrologic research to enable accurate global water and energy cycle predictions, and as a Decision Support System (DSS) to generate useful information for application areas including disaster management, water resources management, agricultural management, numerical weather prediction, air quality and military mobility assessment. LIS has evolved from two earlier efforts North American Land Data Assimilation System (NLDAS; Mitchell et al. 2004) and Global Land Data Assimilation System (GLDAS; Rodell al. 2004) that focused primarily on improving numerical weather prediction skills by improving the characterization of the land surface conditions. Both of GLDAS and NLDAS now use specific configurations of the LIS software in their current implementations. In addition, LIS was recently transitioned into operations at the US Air Force Weather Agency (AFWA) to ultimately replace their Agricultural Meteorology (AGRMET) system, and is also used routinely by

  8. Using Multi-scale Modeling System to Study the Interactions between Clouds, Precipitation, Aerosols, Radiation and Land Surface

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    developments, improvements and applications of cloud models (GCE and WRF) at Goddard will be presented in this talk. In particular, a new approach to using multi-scale modeling system to study the interactions between clouds, precipitation, aerosols and land will be presented.

  9. Using Multi-scale Modeling System to Study the Interactions between Clouds, Precipitation, Aerosols, Radiation and Land Surface

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    technique. A review of developments, improvements and applications of cloud models (GCE and WRF) at Goddard wlll be is presented in this talk. In particular, a new approach to using multi-scale modeling system to study the interactions between clouds, precipitation, aerosols and land will be presented.

  10. Using Multi-scale Modeling System to Study the Interactions between Clouds, Precipitation, Aerosols, Radiation and Land Surface

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    nesting technique. A review of developments, improvements and applications of cloud models (GCE and WRF) at Goddard will be presented in this talk. In particular, a new approach to using multi-scale modeling system to study the interactions between clouds, precipitation, aerosols and land will be presented.

  11. Cementitious binder from fly ash and other industrial wastes

    SciTech Connect

    Singh, M.; Garg, M.

    1999-03-01

    In this paper, investigations were undertaken to formulate cementitious binder by judicious blending of fly ash with Portland cement as well as by admixing fly ash with calcined phosphogypsum, fluorogypsum, lime sludge, and chemical activators of different finenesses. The effect of addition of calcined clay in these types of binders was studied. Data showed that cementitious binders of high compressive strength and water retentivity can be produced. The strength of masonry mortars increased with the addition of chemical activators. The strength development of binders takes place through formation of ettringite. C-S-H, and C{sub 4}AH{sub 13}. The binders are eminently suitable for partial replacement (up to 25%) of the cement in concrete without any detrimental affect on the strength. The results showed that fly ash can be used in the range from 45% to 70% in formulating these binders along with other industrial wastes to help in mitigating environmental pollution.

  12. A Recursive Multiscale Correlation-Averaging Algorithm for an Automated Distributed Road Condition Monitoring System

    SciTech Connect

    Ndoye, Mandoye; Barker, Alan M; Krogmeier, James; Bullock, Darcy

    2011-01-01

    A signal processing approach is proposed to jointly filter and fuse spatially indexed measurements captured from many vehicles. It is assumed that these measurements are influenced by both sensor noise and measurement indexing uncertainties. Measurements from low-cost vehicle-mounted sensors (e.g., accelerometers and Global Positioning System (GPS) receivers) are properly combined to produce higher quality road roughness data for cost-effective road surface condition monitoring. The proposed algorithms are recursively implemented and thus require only moderate computational power and memory space. These algorithms are important for future road management systems, which will use on-road vehicles as a distributed network of sensing probes gathering spatially indexed measurements for condition monitoring, in addition to other applications, such as environmental sensing and/or traffic monitoring. Our method and the related signal processing algorithms have been successfully tested using field data.

  13. Design strategies for human & earth systems modeling to meet emerging multi-scale decision support needs

    NASA Astrophysics Data System (ADS)

    Spak, S.; Pooley, M.

    2012-12-01

    The next generation of coupled human and earth systems models promises immense potential and grand challenges as they transition toward new roles as core tools for defining and living within planetary boundaries. New frontiers in community model development include not only computational, organizational, and geophysical process questions, but also the twin objectives of more meaningfully integrating the human dimension and extending applicability to informing policy decisions on a range of new and interconnected issues. We approach these challenges by posing key policy questions that require more comprehensive coupled human and geophysical models, identify necessary model and organizational processes and outputs, and work backwards to determine design criteria in response to these needs. We find that modular community earth system model design must: * seamlessly scale in space (global to urban) and time (nowcasting to paleo-studies) and fully coupled on all component systems * automatically differentiate to provide complete coupled forward and adjoint models for sensitivity studies, optimization applications, and 4DVAR assimilation across Earth and human observing systems * incorporate diagnostic tools to quantify uncertainty in couplings, and in how human activity affects them * integrate accessible community development and application with JIT-compilation, cloud computing, game-oriented interfaces, and crowd-sourced problem-solving We outline accessible near-term objectives toward these goals, and describe attempts to incorporate these design objectives in recent pilot activities using atmosphere-land-ocean-biosphere-human models (WRF-Chem, IBIS, UrbanSim) at urban and regional scales for policy applications in climate, energy, and air quality.

  14. Discovering free energy basins for macromolecular systems via guided multiscale simulation.

    PubMed

    Sereda, Yuriy V; Singharoy, Abhishek B; Jarrold, Martin F; Ortoleva, Peter J

    2012-07-26

    An approach for the automated discovery of low free energy states of macromolecular systems is presented. The method does not involve delineating the entire free energy landscape but proceeds in a sequential free energy minimizing state discovery; i.e., it first discovers one low free energy state and then automatically seeks a distinct neighboring one. These states and the associated ensembles of atomistic configurations are characterized by coarse-grained variables capturing the large-scale structure of the system. A key facet of our approach is the identification of such coarse-grained variables. Evolution of these variables is governed by Langevin dynamics driven by thermal-average forces and mediated by diffusivities, both of which are constructed by an ensemble of short molecular dynamics runs. In the present approach, the thermal-average forces are modified to account for the entropy changes following from our knowledge of the free energy basins already discovered. Such forces guide the system away from the known free energy minima, over free energy barriers, and to a new one. The theory is demonstrated for lactoferrin, known to have multiple energy-minimizing structures. The approach is validated using experimental structures and traditional molecular dynamics. The method can be generalized to enable the interpretation of nanocharacterization data (e.g., ion mobility-mass spectrometry, atomic force microscopy, chemical labeling, and nanopore measurements).

  15. Nonlinear Synergies and Multiscale Structural Dynamics in Complex Systems: Theoretical Advances and Applications to Hydroclimate Dynamics

    NASA Astrophysics Data System (ADS)

    Perdigão, R. A. P.

    2015-12-01

    The dynamical evolution of complex coevolving systems is assessed in a novel nonlinear statistical-dynamical framework formally linking nonlinear statistical measures of codependence and emergence with fundamental dynamical interaction laws. The methodological developments are then used to shed light onto fundamental interactions underlying complex behaviour in hydroclimate dynamics. For that purpose, a dynamical model is presented predicting evolving hydroclimatic quantities and their distributions under nonlinearly coevolving geophysical processes. The functional model is based on first principles regulating the dynamics of each system constituent and their synergies, therefore its applicability is general and data-independent, not requiring local calibrations. Moreover, it enables the dynamical estimation of hydroclimatic variations in space and time from the given knowledge at different spatiotemporal conditions. This paves the way for a robust physically based prediction of hydroclimatic changes in unmonitored areas. Validation is achieved by producing, with the dynamical model, a comprehensive spatiotemporal legacy consistent with the observed distributions along with their dynamical and statistical properties and relations. The similarity between simulated and observed distributions is further assessed with robust information-theoretic diagnostics. This study ultimately brings to light emerging signatures of structural change in hydroclimate dynamics arising from nonlinear synergies across spatiotemporal scales, and contributes to a better dynamical understanding and prediction of spatiotemporal regimes, transitions and extremes. The study further sheds light onto a diversity of emerging properties from harmonic to hyper-chaotic dynamics in hydroclimatic systems.

  16. Thermal conductivity of cementitious grouts for geothermal heat pumps. Progress report FY 1997

    SciTech Connect

    Allan, M.L.

    1997-11-01

    Grout is used to seal the annulus between the borehole and heat exchanger loops in vertical geothermal (ground coupled, ground source, GeoExchange) heat pump systems. The grout provides a heat transfer medium between the heat exchanger and surrounding formation, controls groundwater movement and prevents contamination of water supply. Enhanced heat pump coefficient of performance (COP) and reduced up-front loop installation costs can be achieved through optimization of the grout thermal conductivity. The objective of the work reported was to characterize thermal conductivity and other pertinent properties of conventional and filled cementitious grouts. Cost analysis and calculations of the reduction in heat exchanger length that could be achieved with such grouts were performed by the University of Alabama. Two strategies to enhance the thermal conductivity of cementitious grouts were used simultaneously. The first of these was to incorporate high thermal conductivity filler in the grout formulations. Based on previous tests (Allan and Kavanaugh, in preparation), silica sand was selected as a suitable filler. The second strategy was to reduce the water content of the grout mix. By lowering the water/cement ratio, the porosity of the hardened grout is decreased. This results in higher thermal conductivity. Lowering the water/cement ratio also improves such properties as permeability, strength, and durability. The addition of a liquid superplasticizer (high range water reducer) to the grout mixes enabled reduction of water/cement ratio while retaining pumpability. Superplasticizers are commonly used in the concrete and grouting industry to improve rheological properties.

  17. On the combined use of radar systems for multi-scale imaging of transport infrastructures

    NASA Astrophysics Data System (ADS)

    Catapano, I.; Bavusi, M.; Loperte, A.; Crocco, L.; Soldovieri, F.

    2012-04-01

    Ground Penetrating Radar (GPR) systems are worth to be considered as in situ non invasive diagnostic tools capable of assessing stability and integrity of transport infrastructures. As a matter of fact, by exploiting the interactions among probing electromagnetic waves and hidden objects, they provide images of the inner status of the spatial region under test from which infer risk factors, such as deformations and oxidization of the reinforcement bars as well as water infiltrations, crack and air gaps. With respect to the assessment of concrete infrastructures integrity, the reconstruction capabilities of GPR systems have been widely investigated [1,2]. However, the demand for diagnostic tools capable of providing detailed and real time information motivates the design and the performance evaluation of novel technologies and data processing methodologies aimed not only to effectively detect hidden anomalies but also to estimate their geometrical features. In this framework, this communication aims at investigating the advantages offered by the joint use of two GPR systems both of them equipped with a specific tomographic imaging approach. The first considered system is a time domain GPR equipped with a 1.5GHz shielded antenna, which is suitable for quick and good resolution surveys of the shallower layers of the structure. As second system, the holographic radar Rascan-4/4000 [3,4] is taken into account, due to its capability of providing holograms of hidden targets from the amplitude of the interference signal arising between the backscattered field and a reference signal. The imaging capabilities of both the GPR tools are enhanced by means of model based data processing approaches, which afford the imaging as a linear inverse scattering problem. Mathematical details on the inversion strategies will be provided at the conference. The combined use of the above GPR systems allows to perform multi-resolution surveys of the region under test, whose aim is, first of

  18. Northeast Coastal Ocean Forecast System (NECOFS): A Multi-scale Global-Regional-Estuarine FVCOM Model

    NASA Astrophysics Data System (ADS)

    Beardsley, R. C.; Chen, C.

    2014-12-01

    The Northeast Coastal Ocean Forecast System (NECOFS) is a global-regional-estuarine integrated atmosphere/surface wave/ocean forecast model system designed for the northeast US coastal region covering a computational domain from central New Jersey to the eastern end of the Scotian Shelf. The present system includes 1) the mesoscale meteorological model WRF (Weather Research and Forecasting); 2) the regional-domain FVCOM covering the Gulf of Maine/Georges Bank/New England Shelf region (GOM-FVCOM); 3) the unstructured-grid surface wave model (FVCOM-SWAVE) modified from SWAN with the same domain as GOM-FVCOM; 3) the Mass coastal FVCOM with inclusion of inlets, estuaries and intertidal wetlands; and 4) three subdomain wave-current coupled inundation FVCOM systems in Scituate, MA, Hampton River, NH and Mass Bay, MA. GOM-FVCOM grid features unstructured triangular meshes with horizontal resolution of ~ 0.3-25 km and a hybrid terrain-following vertical coordinate with a total of 45 layers. The Mass coastal FVCOM grid is configured with triangular meshes with horizontal resolution up to ~10 m, and 10 layers in the vertical. Scituate, Hampton River and Mass Bay inundation model grids include both water and land with horizontal resolution up to ~5-10 m and 10 vertical layers. GOM-FVCOM is driven by surface forcing from WRF model output configured for the region (with 9-km resolution), the COARE3 bulk air-sea flux algorithm, local river discharges, and tidal forcing constructed by eight constituents and subtidal forcing on the boundary nested to the Global-FVCOM. SWAVE is driven by the same WRF wind field with wave forcing at the boundary nested to Wave Watch III configured for the northwestern Atlantic region. The Mass coastal FVCOM and three inundation models are connected with GOM-FVCOM through one-way nesting in the common boundary zones. The Mass coastal FVCOM is driven by the same surface forcing as GOM-FVCOM. The nesting boundary conditions for the inundation models

  19. Burst Memory and Event Trigger System for the Magnetospheric Multiscale Mission

    NASA Astrophysics Data System (ADS)

    Kletzing, C. A.; Ergun, R. E.; Torbert, R. B.; Burch, J. L.; Bounds, S. R.; Hesse, M.; Mauk, B.; Moore, T. E.; Young, D. T.

    2005-12-01

    To achieve the highest resolution measurement of the physics of magnetic reconnection, the MMS SMART measurements will utilize a high data rate burst storage system for capturing those intervals when the MMS spacecraft traverse important regions of interest. Two basic modes of data taking are planned, Slow Survey and Fast Survey. Fast Survey mode is targeted at the broad regions of the magnetosphere where reconnection can occur. Slow Survey is aimed an regions of secondary science importance. In Fast Survey, all instruments in the SMART suite continually send high rate data to the Central Instrument Data Processor (CIDP) which holds this data in a circular buffer. Along with this data, each instrument sends a burst data quality (BDQ) flag which represents the scientific "quality" of the preceding period for consideration as a burst interval. The CIDP on each spacecraft collects the individual BDQ's and combines them via a predetermined algorithm into a spacecraft data quality (SDQ) flag. Each spacecraft then sends its individual SDQ to the other three spacecraft via the Interspacecraft Ranging and Alarm System (IRAS). After a short latency period all four spacecraft have all four SDQ values and compute a mission data quality (MDQ) flag. If this flag is above the appropriate threshold then all spacecraft save identical data intervals from from the circular buffer for transmission to the ground during the next downlink. If This flexible scheme will yield optimized science data collection and allows the evolution of the burst data criteria as the best burst triggers are identified.

  20. Multiscale Systems-Pharmacology Pipeline to Assess the Prophylactic Efficacy of NRTIs Against HIV-1.

    PubMed

    Duwal, S; Sunkara, V; von Kleist, M

    2016-07-01

    While HIV-1 continues to spread, the use of antivirals in preexposure prophylaxis (PrEP) has recently been suggested. Here we present a modular systems pharmacology modeling pipeline, predicting PrEP efficacy of nucleotide reverse transcriptase inhibitors (NRTIs) at the scale of reverse transcription, target-cell, and systemic infection and after repeated viral exposures, akin to clinical trials. We use this pipeline to benchmark the prophylactic efficacy of all currently approved NRTIs in wildtype and mutant viruses. By integrating pharmacokinetic models, we find that intracellular tenofovir-diphosphate builds up too slowly to halt infection when taken "on demand" and that lamivudine may substitute emtricitabine in PrEP combinations. Lastly, we delineate factors confounding clinical PrEP efficacy estimates and provide a method to overcome these. The presented framework is useful to screen and optimize PrEP candidates and strategies and to understand their clinical efficacy by integrating the diverse scales which determine PrEP efficacy. PMID:27439573

  1. Electrochemical migration technique to accelerate ageing of cementitious materials

    NASA Astrophysics Data System (ADS)

    Babaahmadi, A.; Tang, L.; Abbas, Z.

    2013-07-01

    Durability assessment of concrete structures for constructions in nuclear waste repositories requires long term service life predictions. As deposition of low and intermediate level radioactive waste (LILW) takes up to 100 000 years, it is necessary to analyze the service life of cementitious materials in this time perspective. Using acceleration methods producing aged specimens would decrease the need of extrapolating short term data sets. Laboratory methods are therefore, needed for accelerating the ageing process without making any influencing distortion in the properties of the materials. This paper presents an electro-chemical migration method to increase the rate of calcium leaching from cementitious specimens. This method is developed based on the fact that major long term deterioration process of hardened cement paste in concrete structures for deposition of LILW is due to slow diffusion of calcium ions. In this method the cementitious specimen is placed in an electrochemical cell as a porous path way through which ions can migrate at a rate far higher than diffusion process. The electrical field is applied to the cell in a way to accelerate the ion migration without making destructions in the specimen's micro and macroscopic properties. The anolyte and catholyte solutions are designed favoring dissolution of calcium hydroxide and compensating for the leached calcium ions with another ion like lithium.

  2. MULTISCALE THERMOHYDROLOGIC MODEL

    SciTech Connect

    T.A. Buscheck

    2001-12-21

    The purpose of the Multiscale Thermohydrologic Model (MSTHM) is to describe the thermohydrologic evolution of the near-field environment (NFE) and engineered barrier system (EBS) throughout the potential high-level nuclear waste repository at Yucca Mountain for a particular engineering design (CRWMS M&O 2000c). The process-level model will provide thermohydrologic (TH) information and data (such as in-drift temperature, relative humidity, liquid saturation, etc.) for use in other technical products. This data is provided throughout the entire repository area as a function of time. The MSTHM couples the Smeared-heat-source Drift-scale Thermal-conduction (SDT), Line-average-heat-source Drift-scale Thermohydrologic (LDTH), Discrete-heat-source Drift-scale Thermal-conduction (DDT), and Smeared-heat-source Mountain-scale Thermal-conduction (SMT) submodels such that the flow of water and water vapor through partially-saturated fractured rock is considered. The MSTHM accounts for 3-D drift-scale and mountain-scale heat flow, repository-scale variability of stratigraphy and infiltration flux, and waste package (WP)-to-WP variability in heat output from WPs. All submodels use the nonisothermal unsaturated-saturated flow and transport (NUFT) simulation code. The MSTHM is implemented in several data-processing steps. The four major steps are: (1) submodel input-file preparation, (2) execution of the four submodel families with the use of the NUFT code, (3) execution of the multiscale thermohydrologic abstraction code (MSTHAC), and (4) binning and post-processing (i.e., graphics preparation) of the output from MSTHAC. Section 6 describes the MSTHM in detail. The objectives of this Analyses and Model Report (AMR) are to investigate near field (NF) and EBS thermohydrologic environments throughout the repository area at various evolution periods, and to provide TH data that may be used in other process model reports.

  3. Multi-scale InSAR analysis of aseismic creep across the San Andreas, Calevaras,and Hayward Fault systems

    NASA Astrophysics Data System (ADS)

    Agram, P. S.; Simons, M.

    2011-12-01

    We apply the Multi-scale Interferometric Time-series (MInTS) technique, developed at Caltech,to study spatial variations in aseismic creep across the San Andreas, Calaveras and Hayward Faultsystems in Central California.Interferometric Synthetic Aperture Radar (InSAR) Time-series methods estimate the spatio-temporal evolution of surface deformation using multiple SAR interferograms. Traditional time-series analysis techniques like persistent scatterers and short baseline methods assume the statistical independence of InSAR phase measurements over space and time when estimating deformation. However, existing atmospheric phase screen models clearly show that noise in InSAR phase observations is correlated over the spatial domain. MInTS is an approach designed to exploit the correlation of phase observations over space to significantly improve the signal-to-noise ratio in the estimated deformation time-series compared to the traditional time-series InSAR techniques. The MInTS technique reduces the set of InSAR observations to a set of almost uncorrelated observations at various spatial scales using wavelets. Traditional inversion techniques can then be applied to the wavelet coefficients more effectively. Creep across the Central San Andreas Fault and the Hayward Fault has been studied previously using C-band (6 cm wavelength) ERS data, but detailed analysis of the transition zone between the San Andreas and Hayward Faults was not possible due to severe decorrelation. Improved coherence at L-band (24 cm wavelength) significantly improves the spatial coverage of the estimated deformation signal in our ALOS PALSAR data set. We analyze 450 ALOS PALSAR interferograms processed using 175 SAR images acquired between Dec 2006 and Dec 2010 that cover the area along the San Andreas Fault System from Richmond in the San Francisco Bay Area to Maricopa in the San Joaquin Valley.We invert the InSAR phase observations to estimate the constant Line-of-Sight (LOS) deformation

  4. Text Stream Trend Analysis using Multiscale Visual Analytics with Applications to Social Media Systems

    SciTech Connect

    Steed, Chad A; Beaver, Justin M; BogenII, Paul L.; Drouhard, Margaret MEG G; Pyle, Joshua M

    2015-01-01

    In this paper, we introduce a new visual analytics system, called Matisse, that allows exploration of global trends in textual information streams with specific application to social media platforms. Despite the potential for real-time situational awareness using these services, interactive analysis of such semi-structured textual information is a challenge due to the high-throughput and high-velocity properties. Matisse addresses these challenges through the following contributions: (1) robust stream data management, (2) automated sen- timent/emotion analytics, (3) inferential temporal, geospatial, and term-frequency visualizations, and (4) a flexible drill-down interaction scheme that progresses from macroscale to microscale views. In addition to describing these contributions, our work-in-progress paper concludes with a practical case study focused on the analysis of Twitter 1% sample stream information captured during the week of the Boston Marathon bombings.

  5. EMAPS: An Efficient Multiscale Approach to Plasma Systems with Non-MHD Scale Effects

    SciTech Connect

    Omelchenko, Yuri A; Karimabadi, Homa

    2014-10-14

    Using Discrete-Event Simulation (DES) as a novel paradigm for time integration of large-scale physics-driven systems, we have achieved significant breakthroughs in simulations of multi-dimensional magnetized plasmas where ion kinetic and finite Larmor radius (FLR) and Hall effects play a crucial role. For these purposes we apply a unique asynchronous simulation tool: a parallel, electromagnetic Particle-in-Cell (PIC) code, HYPERS (Hybrid Particle Event-Resolved Simulator), which treats plasma electrons as a charge neutralizing fluid and solves a self-consistent set of non-radiative Maxwell, electron fluid equations and ion particle equations on a structured computational grid. HYPERS enables adaptive local time steps for particles, fluid elements and electromagnetic fields. This ensures robustness (stability) and efficiency (speed) of highly dynamic and nonlinear simulations of compact plasma systems such spheromaks, FRCs, ion beams and edge plasmas. HYPERS is a unique asynchronous code that has been designed to serve as a test bed for developing multi-physics applications not only for laboratory plasma devices but generally across a number of plasma physics fields, including astrophysics, space physics and electronic devices. We have made significant improvements to the HYPERS core: (1) implemented a new asynchronous magnetic field integration scheme that preserves local divB=0 to within round-off errors; (2) Improved staggered-grid discretizations of electric and magnetic fields. These modifications have significantly enhanced the accuracy and robustness of 3D simulations. We have conducted first-ever end-to-end 3D simulations of merging spheromak plasmas. The preliminary results show: (1) tilt-driven relaxation of a freely expanding spheromak to an m=1 Taylor helix configuration and (2) possibility of formation of a tilt-stable field-reversed configuration via merging and magnetic reconnection of two double-sided spheromaks with opposite helicities.

  6. Based on a multi-agent system for multi-scale simulation and application of household's LUCC: a case study for Mengcha village, Mizhi county, Shaanxi province.

    PubMed

    Chen, Hai; Liang, Xiaoying; Li, Rui

    2013-01-01

    Multi-Agent Systems (MAS) offer a conceptual approach to include multi-actor decision making into models of land use change. Through the simulation based on the MAS, this paper tries to show the application of MAS in the micro scale LUCC, and reveal the transformation mechanism of difference scale. This paper starts with a description of the context of MAS research. Then, it adopts the Nested Spatial Choice (NSC) method to construct the multi-scale LUCC decision-making model. And a case study for Mengcha village, Mizhi County, Shaanxi Province is reported. Finally, the potentials and drawbacks of the following approach is discussed and concluded. From our design and implementation of the MAS in multi-scale model, a number of observations and conclusions can be drawn on the implementation and future research directions. (1) The use of the LUCC decision-making and multi-scale transformation framework provides, according to us, a more realistic modeling of multi-scale decision making process. (2) By using continuous function, rather than discrete function, to construct the decision-making of the households is more realistic to reflect the effect. (3) In this paper, attempts have been made to give a quantitative analysis to research the household interaction. And it provides the premise and foundation for researching the communication and learning among the households. (4) The scale transformation architecture constructed in this paper helps to accumulate theory and experience for the interaction research between the micro land use decision-making and the macro land use landscape pattern. Our future research work will focus on: (1) how to rational use risk aversion principle, and put the rule on rotation between household parcels into model. (2) Exploring the methods aiming at researching the household decision-making over a long period, it allows us to find the bridge between the long-term LUCC data and the short-term household decision-making. (3) Researching the

  7. Multiscale Dynamics in Micro-porous Fractured Systems: Theory and Experiments

    NASA Astrophysics Data System (ADS)

    Ling, B.; Battiato, I.; Tartakovsky, A. M.; Oostrom, M.

    2015-12-01

    Soils and rock systems exhibit surfaces with complex micro-scale topological features. Understanding flow and solute transport over micro-patterned surfaces is essential to improve our predictive understanding of transport in structurally heterogeneous porous media, which provides insight of many environmental processes including CO2 sequestration and bioremediation. We are interested in seeking the relationship between surface topological structure and its impact on solute transport. We consider a thin fracture embedded in a permeable porous matrix. By means of homogenization technique, we upscale the transport equation and obtain a macro-scale dispersion coefficient which depends on the geometrical characteristic of the matrix, i.e. porous layer permeability and width. This expression generalizes a number of former studies, including the classical form of the Aris-Taylor dispersion coefficient and more recent results based on the assumption of purely diffusive mass transport in the matrix. Based on the upscaled equation, we provide a two-dimensional solution for the concentration profiles both inside the fracture and the matrix. Finally, we show good agreement between our theoretical predictions and the experimental data performed on a series of microfluidic cells with different matrix geometries/permeabilities for a wide range of Peclet numbers.

  8. Understanding multi-scale structural evolution in granular systems through gMEMS

    NASA Astrophysics Data System (ADS)

    Walker, David M.; Tordesillas, Antoinette

    2013-06-01

    We show how the rheological response of a material to applied loads can be systematically coded, analyzed and succinctly summarized, according to an individual grain's property (e.g. kinematics). Individual grains are considered as their own smart sensor akin to microelectromechanical systems (e.g. gyroscopes, accelerometers), each capable of recognizing their evolving role within self-organizing building block structures (e.g. contact cycles and force chains). A symbolic time series is used to represent their participation in such self-assembled building blocks and a complex network summarizing their interrelationship with other grains is constructed. In particular, relationships between grain time series are determined according to the information theory Hamming distance or the metric Euclidean distance. We then use topological distance to find network communities enabling groups of grains at remote physical metric distances in the material to share a classification. In essence grains with similar structural and functional roles at different scales are identified together. This taxonomy distills the dissipative structural rearrangements of grains down to its essential features and thus provides pointers for objective physics-based internal variable formalisms used in the construction of robust predictive continuum models.

  9. Experimental Observations of Multiscale Dynamics of Viscous Fluid Behavior: Implications in Volcanic Systems

    NASA Astrophysics Data System (ADS)

    Arciniega-Ceballos, A.; Spina, L.; Scheu, B.; Dingwell, D. B.

    2015-12-01

    We have investigated the dynamics of Newtonian fluids with viscosities (10-1000 Pa s; corresponding to mafic to intermediate silicate melts) during slow decompression, in a Plexiglas shock tube. As an analogue fluid we used silicon oil saturated with Argon gas for 72 hours. Slow decompression, dropping from 10 MPa to ambient pressure, acts as the excitation mechanism, initiating several processes with their own distinct timescales. The evolution of this multi-timescale phenomenon generates complex non-stationary microseismic signals, which have been recorded with 7 high-dynamic piezoelectric sensors located along the conduit. Correlation analysis of these time series with the associated high-speed imaging enables characterization of distinct phases of the dynamics of these viscous fluids and the extraction of the time and the frequency characteristics of the individual processes. We have identified fluid-solid elastic interaction, degassing, fluid mass expansion and flow, bubble nucleation, growth, coalescence and collapse, foam building and vertical wagging. All these processes (in fine and coarse scales) are sequentially coupled in time, occur within specific pressure intervals, and exhibit a localized distribution in space. Their coexistence and interactions constitute the stress field and driving forces that determine the dynamics of the system. Our observations point to the great potential of this experimental approach in the understanding of volcanic processes and volcanic seismicity.

  10. Multiscale error analysis, correction, and predictive uncertainty estimation in a flood forecasting system

    NASA Astrophysics Data System (ADS)

    Bogner, K.; Pappenberger, F.

    2011-07-01

    River discharge predictions often show errors that degrade the quality of forecasts. Three different methods of error correction are compared, namely, an autoregressive model with and without exogenous input (ARX and AR, respectively), and a method based on wavelet transforms. For the wavelet method, a Vector-Autoregressive model with exogenous input (VARX) is simultaneously fitted for the different levels of wavelet decomposition; after predicting the next time steps for each scale, a reconstruction formula is applied to transform the predictions in the wavelet domain back to the original time domain. The error correction methods are combined with the Hydrological Uncertainty Processor (HUP) in order to estimate the predictive conditional distribution. For three stations along the Danube catchment, and using output from the European Flood Alert System (EFAS), we demonstrate that the method based on wavelets outperforms simpler methods and uncorrected predictions with respect to mean absolute error, Nash-Sutcliffe efficiency coefficient (and its decomposed performance criteria), informativeness score, and in particular forecast reliability. The wavelet approach efficiently accounts for forecast errors with scale properties of unknown source and statistical structure.

  11. Multi-Scale Monitoring and Prediction of System Responses to Biostimulation

    SciTech Connect

    Hubbard, Susan; Williams, Ken; Steefel, Carl; Long, Phil; Kinsong Chen, Slater, Lee; Banfield, Jill

    2006-04-05

    To advance solutions needed for remediation of DOE contaminated sites, approaches are needed that can elucidate and predict reactions associated with coupled biological, geochemical, and hydrological processes over a variety of spatial scales and in heterogeneous environments. Our laboratory experimental experiments, which were conducted under controlled conditions, suggest that geophysical methods have the potential for elucidating system transformations that often occur during remediation, such as the generation of gases and precipitates. In this new ERSP project, we will Integrate hydrological, biogeochemical, and geophysical expertise and approaches to: (1) Explore the potential of geophysical methods for detecting changes in physical, chemical, and biological properties at the field scale; and (2) Explore the joint use of reactive transport modeling and geophysical monitoring information for improvements in both methods. A brief review of our previously-conducted laboratory results are given in Section II. Section III describes the approach for our new project, which will have both laboratory and field-scale components. The field scale component will be conducted at the Rifle, CO. site, which is described in Section IV.

  12. TECHNETIUM SORPTION BY CEMENTITIOUS MATERIALS UNDER REDUCING CONDITIONS

    SciTech Connect

    Kaplan, D.; Estes, S.; Arai, Y.; Powell, B.

    2012-01-31

    The objective of this study was to measure Tc sorption to cementitious materials under reducing conditions to simulate Saltstone Disposal Facility conditions. Earlier studies were conducted and the experimental conditions were found not to simulate those of the facility. Through a five month subcontract with Clemson University, sorption of {sup 99}Tc to four cementitious materials was examined within an anaerobic glovebag targeting a 0.1% H2(g)/ 99.9% N{sub 2}(g) atmosphere. Early experiments based on Tc sorption and Eh indicated that 0.1% H{sub 2}(g) (a reductant) was necessary to preclude experimental impacts from O{sub 2}(g) diffusion into the glovebag. Preliminary data to date (up to 56 days) indicates that sorption of {sup 99}Tc to cementitious materials increased with increasing slag content for simulated saltstone samples. This is consistent with the conceptual model that redox active sulfide groups within the reducing slag facilitate reduction of Tc(VII) to Tc(IV). These experiments differ from previous experiments where a 2% H{sub 2}(g) atmosphere was maintained (Kaplan et al., 2011 (SRNL-STI-2010-00668)). The impact of the 2% H{sub 2}(g) reducing atmosphere on this data was examined and determined to cause the reduction of Tc in experimental samples without slag. In the present ongoing study, after 56 days, Tc sorption by the 50-year old cement samples (no slag) was undetectable, whereas Tc sorption in the cementitious materials containing slag continues to increase with contact time (measured after 1, 4, 8, 19 and 56 days). Sorption was not consistent with spike concentrations and steady state has not been demonstrated after 56 days. The average conditional K{sub d} value for the Vault 2 cementitious material was 6,362 mL/g (17% slag), for the TR547 Saltstone (45% slag) the conditional K{sub d} was 1258 mL/g, and for TR545 (90% slag) the conditional K{sub d} was 12,112 mL/g. It is anticipated that additional samples will be collected until steady state

  13. Multiscale Modeling in Computational Biomechanics: Determining Computational Priorities and Addressing Current Challenges

    SciTech Connect

    Tawhai, Merryn; Bischoff, Jeff; Einstein, Daniel R.; Erdemir, Ahmet; Guess, Trent; Reinbolt, Jeff

    2009-05-01

    Abstract In this article, we describe some current multiscale modeling issues in computational biomechanics from the perspective of the musculoskeletal and respiratory systems and mechanotransduction. First, we outline the necessity of multiscale simulations in these biological systems. Then we summarize challenges inherent to multiscale biomechanics modeling, regardless of the subdiscipline, followed by computational challenges that are system-specific. We discuss some of the current tools that have been utilized to aid research in multiscale mechanics simulations, and the priorities to further the field of multiscale biomechanics computation.

  14. Multiscale Cancer Modeling

    PubMed Central

    Macklin, Paul; Cristini, Vittorio

    2013-01-01

    Simulating cancer behavior across multiple biological scales in space and time, i.e., multiscale cancer modeling, is increasingly being recognized as a powerful tool to refine hypotheses, focus experiments, and enable more accurate predictions. A growing number of examples illustrate the value of this approach in providing quantitative insight on the initiation, progression, and treatment of cancer. In this review, we introduce the most recent and important multiscale cancer modeling works that have successfully established a mechanistic link between different biological scales. Biophysical, biochemical, and biomechanical factors are considered in these models. We also discuss innovative, cutting-edge modeling methods that are moving predictive multiscale cancer modeling toward clinical application. Furthermore, because the development of multiscale cancer models requires a new level of collaboration among scientists from a variety of fields such as biology, medicine, physics, mathematics, engineering, and computer science, an innovative Web-based infrastructure is needed to support this growing community. PMID:21529163

  15. Grand Canonical Monte Carlo coupled multiscale simulation for electrochemical and solvent parameters of silver halide systems in water.

    PubMed

    Sudha, V; Harinipriya, S; Sangaranarayanan, M V

    2016-07-01

    Grand Canonical Monte Carlo methods in conjunction with continuum Multiscale simulation to estimate the hydration energies and surface potentials of silver halides as demonstrated elsewhere is employed by incorporating random distribution of molecules, nearest neighbor distances and hydration numbers. The extent of dehydration during each step and the corresponding variation in the hydration numbers are evaluated, assuming the validity of hard spheres. These estimates are then employed to deduce the redox potential of the reaction viz. 2AgX(solution)⇔2Ag(solid)+X2(gas). The dependence of these values on the nature of the halides and solvation characteristics is indicated. PMID:27442589

  16. Differential Geometry Based Multiscale Models

    PubMed Central

    Wei, Guo-Wei

    2010-01-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atom-istic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier–Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson–Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson–Nernst–Planck equations that

  17. Differential geometry based multiscale models.

    PubMed

    Wei, Guo-Wei

    2010-08-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are

  18. Differential geometry based multiscale models.

    PubMed

    Wei, Guo-Wei

    2010-08-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are

  19. A Multi-Scale Approach to Assessment of Climate Change Impacts on Hydrologic Response of Watershed Systems: 1. Quantifying Regional Trends and their Uncertainty

    NASA Astrophysics Data System (ADS)

    Ivanov, V. Y.; Fatichi, S.; Kim, J.; Clolinger, K.; Caporali, E.

    2012-12-01

    The current ways of assessing the impacts of climate change on watershed systems are inadequate: they are based on an ad hoc selection of climate models; they focus on metrics at very coarse scales (hundreds-to-thousands of square km) detached from the reality of human activities and ecosystem services at the local (often the stream reach or floodplain) scales; and they do not yield any assessment of uncertainty associated with watershed modeling and projections into the future. This research aims to bridge the coarse-scale projections and the multi-scale, space-time connectivity of watershed systems, propagating information on climate signals through the entire watershed system: from headwater areas to stream channels, and to the details of flow characteristics. A comprehensive program of modeling and field observations is developed. The project will focus on the state of Michigan, where a number of observed metrics already demonstrate trends consistent with a warming climate, including shorter winters, higher mean annual temperatures, and higher frequency of heavy precipitation events. A number of case studies is developed along the state-wide gradient of climate and hydrological regimes. The premise used is that watersheds of 1st- to- 2nd orders can be used as "warning systems" (sentinels) of climate change for the hydrological regimes of drainage basins of higher orders. Multi-model ensembles of climate change projections from the World Climate Research Programme's Coupled Model Intercomparison Project are downscaled for the locations of these basins using an "in-house" stochastic downscaling methodology. The inferred probabilistic information is used to assess climate change impacts on watershed systems for early (2010-2039), mid- (2040-2069), and late century (2070-2099) periods. Changes in first- and second-order moment properties of essential characteristics of hydrological regimes are investigated for the sentinel basins using a multi-scale, physically

  20. National Inventory of Landscapes in Sweden (NILS)--scope, design, and experiences from establishing a multiscale biodiversity monitoring system.

    PubMed

    Ståhl, Göran; Allard, Anna; Esseen, Per-Anders; Glimskär, Anders; Ringvall, Anna; Svensson, Johan; Sundquist, Sture; Christensen, Pernilla; Torell, Asa Gallegos; Högström, Mats; Lagerqvist, Kjell; Marklund, Liselott; Nilsson, Björn; Inghe, Ola

    2011-02-01

    The landscape-level and multiscale biodiversity monitoring program National Inventory of Landscapes in Sweden (NILS) was launched in 2003. NILS is conducted as a sample-based stratified inventory that acquires data across several spatial scales, which is accomplished by combining aerial photo interpretation with field inventory. A total of 631 sample units are distributed across the land base of Sweden, of which 20% are surveyed each year. By 2007 NILS completed the first 5-year inventory phase. As the reinventory in the second 5-year phase (2008-2012) proceeds, experiences and insights accumulate and reflections are made on the setup and accomplishment of the monitoring scheme. In this article, the emphasis is placed on background, scope, objectives, design, and experiences of the NILS program. The main objective to collect data for and perform analyses of natural landscape changes, degree of anthropogenic impact, prerequisites for natural biological diversity and ecological processes at landscape scale. Different environmental conditions that can have direct or indirect effects on biological diversity are monitored. The program provides data for national and international policy and offers an infrastructure for other monitoring program and research projects. NILS has attracted significant national and international interest during its relatively short time of existence; the number of stakeholders and cooperation partners steadily increases. This is constructive and strengthens the incentive for the multiscale monitoring approach. PMID:20237838

  1. Multiscale image fusion using an adaptive similarity-based sensor weighting scheme and human visual system-inspired contrast measure

    NASA Astrophysics Data System (ADS)

    Nercessian, Shahan C.; Panetta, Karen A.; Agaian, Sos S.

    2012-04-01

    The goal of image fusion is to combine multiple source images obtained using different capture techniques into a single image to provide an effective contextual enhancement of a scene for human or machine perception. In practice, considerable value can be gained in the fusion of images that are dissimilar or complementary in nature. However, in such cases, global weighting schemes may not sufficiently weigh the contribution of the pertinent information of the source images, while existing adaptive schemes calculate weights based on the relative amounts of salient features, which can cause severe artifacting or inadequate local luminance in the fusion result. Accordingly, a new multiscale image fusion algorithm is proposed. The approximation coefficient fusion rule of the algorithm is based on a novel similarity based weighting scheme capable of providing improved fusion results when the input source images are either similar or dissimilar to each other. Moreover, the algorithm employs a new detail coefficient fusion rule integrating a parametric multiscale contrast measure. The parametric nature of the contrast measure allows the degree to which psychophysical laws of human vision hold to be tuned based on image-dependent characteristics. Experimental results illustrate the superior performance of the proposed algorithm qualitatively and quantitatively.

  2. CEMENTITIOUS BARRIERS PARTNERSHIP FY13 MID-YEAR REPORT

    SciTech Connect

    Burns, H.; Flach, G.; Langton, C.; KOSSON, D.; BROWN, K.; SAMSON, E.; MEEUSSEN, J.; SLOOT, H.; GARBOCZI, E.

    2013-05-01

    In FY2013, the Cementitious Barriers Partnership (CBP) is continuing in its effort to develop and enhance software tools demonstrating tangible progress toward fulfilling the objective of developing a set of tools to improve understanding and prediction of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. In FY2012, the CBP released the initial inhouse “Beta-version” of the CBP Software Toolbox, a suite of software for simulating reactive transport in cementitious materials and important degradation phenomena. The current primary software components are LeachXS/ORCHESTRA, STADIUM, and a GoldSim interface for probabilistic analysis of selected degradation scenarios. THAMES is a planned future CBP Toolbox component (FY13/14) focused on simulation of the microstructure of cementitious materials and calculation of resultant hydraulic and constituent mass transfer parameters needed in modeling. This past November, the CBP Software Toolbox Version 1.0 was released that supports analysis of external sulfate attack (including damage mechanics), carbonation, and primary constituent leaching. The LeachXS component embodies an extensive material property measurements database along with chemical speciation and reactive mass transport simulation cases with emphasis on leaching of major, trace and radionuclide constituents from cementitious materials used in DOE facilities, such as Saltstone (Savannah River) and Cast Stone (Hanford), tank closure grouts, and barrier concretes. STADIUM focuses on the physical and structural service life of materials and components based on chemical speciation and reactive mass transport of major cement constituents and aggressive species (e.g., chloride, sulfate, etc.). The CBP issued numerous reports and other documentation that accompanied the “Version 1.0” release including a CBP Software Toolbox User Guide and Installation Guide. These documents, as well as, the

  3. Cementitious Barriers Partnership - FY2015 End-Year Report

    SciTech Connect

    Burns, H. H.; Flach, G. P.; Langton, C. A.; Smith, F. G.; Kosson, D. S.; Brown, K. G.; Samson, E.; Meeussen, J. C. L.; Seignette, Paul; van der Sloot, H. A.

    2015-09-17

    The DOE-EM Office of Tank Waste Management Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. Therefore, the CBP ultimate purpose is to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex. This status report highlights the CBP 2015 Software and Experimental Program efforts and accomplishments that support DOE needs in environmental cleanup and waste disposal. DOE needs in this area include: Long-term performance predictions to provide credibility (i.e., a defensible technical basis) for regulator and DOE review and approvals, Facility flow sheet development/enhancements, and Conceptual designs for new disposal facilities. In 2015, the CBP developed a beta release of the CBP Software Toolbox – “Version 3.0”, which includes new STADIUM carbonation and damage models, a new SRNL module for estimating hydraulic properties and flow in fractured and intact cementitious materials, and a new LeachXS/ORCHESTRA (LXO) oxidation module. In addition, the STADIUM sulfate attack and chloride models have been improved as well as the LXO modules for sulfate attack, carbonation, constituent leaching, and percolation with radial diffusion (for leaching and transport in cracked cementitious materials). These STADIUM and LXO models are applicable to and can be used by both DOE and the Nuclear Regulatory Commission (NRC) end-users for service life prediction and long-term leaching evaluations of radioactive waste containment structures across the DOE complex.

  4. Transport properties of damaged materials. Cementitious barriers partnership

    SciTech Connect

    Langton, C.

    2014-11-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  5. Development of New Cementitious Caterials by Alkaline Activating Industrial by-Products

    NASA Astrophysics Data System (ADS)

    Fernández-Jimenez, A.; García-Lodeiro, I.; Palomo, A.

    2015-11-01

    The alkaline activation of aluminosiliceous industrial by-products such as blast furnace slag and fly ash is widely known to yield binders whose properties make them comparable to or even stronger and more durable than ordinary Portland cement. The present paper discusses activation fundamentals (such as the type and concentration of alkaline activator and curing conditions) as well as the structure of the cementitious gels formed (C-A-S-H, N-A-S-H). The durability and strength of these systems make these materials apt for use in many industrial applications, such as precast concrete elements (masonery blocks, railroad sleepers), protective coatings for materials with low fire ratings and lightweight elements.

  6. Generalized multiscale radial basis function networks.

    PubMed

    Billings, Stephen A; Wei, Hua-Liang; Balikhin, Michael A

    2007-12-01

    A novel modelling framework is proposed for constructing parsimonious and flexible multiscale radial basis function networks (RBF). Unlike a conventional standard single scale RBF network, where all the basis functions have a common kernel width, the new network structure adopts multiscale Gaussian functions as the bases, where each selected centre has multiple kernel widths, to provide more flexible representations with better generalization properties for general nonlinear dynamical systems. As a direct extension of the traditional single scale Gaussian networks, the new multiscale network is easy to implement and is quick to learn using standard learning algorithms. A k-means clustering algorithm and an improved orthogonal least squares (OLS) algorithm are used to determine the unknown parameters in the network model including the centres and widths of the basis functions, and the weights between the basis functions. It is demonstrated that the new network can lead to a parsimonious model with much better generalization property compared with the traditional single width RBF networks.

  7. Adaptive multiscale model reduction with Generalized Multiscale Finite Element Methods

    NASA Astrophysics Data System (ADS)

    Chung, Eric; Efendiev, Yalchin; Hou, Thomas Y.

    2016-09-01

    In this paper, we discuss a general multiscale model reduction framework based on multiscale finite element methods. We give a brief overview of related multiscale methods. Due to page limitations, the overview focuses on a few related methods and is not intended to be comprehensive. We present a general adaptive multiscale model reduction framework, the Generalized Multiscale Finite Element Method. Besides the method's basic outline, we discuss some important ingredients needed for the method's success. We also discuss several applications. The proposed method allows performing local model reduction in the presence of high contrast and no scale separation.

  8. Semiautomatic classification of cementitious materials using scanning electron microscope images

    NASA Astrophysics Data System (ADS)

    Drumetz, Lucas; Mura, Mauro Dalla; Meulenyzer, Samuel; Lombard, Sébastien; Chanussot, Jocelyn

    2015-11-01

    Segmentation and classification are prolific research topics in the image processing community. These topics have been increasingly used in the context of analysis of cementitious materials on images acquired with a scanning electron microscope. Indeed, there is a need to be able to detect and to quantify the materials present in a cement paste in order to follow the chemical reactions occurring in the material even days after the solidification. We propose a new approach for segmentation and classification of cementitious materials based on the denoising of the data with a block-matching three-dimensional (3-D) algorithm, binary partition tree (BPT) segmentation, support vector machines (SVM) classification, and interactivity with the user. The BPT provides a hierarchical representation of the spatial regions of the data, allowing a segmentation to be selected among the admissible partitions of the image. SVMs are used to obtain a classification map of the image. This approach combines state-of-the-art image processing tools with user interactivity to allow a better segmentation to be performed, or to help the classifier discriminate the classes better. We show that the proposed approach outperforms a previous method when applied to synthetic data and several real datasets coming from cement samples, both qualitatively with visual examination and quantitatively with the comparison of experimental results with theoretical ones.

  9. Degradation Of Cementitious Materials Associated With Saltstone Disposal Units

    SciTech Connect

    Flach, G. P; Smith, F. G. III

    2013-03-19

    The Saltstone facilities at the DOE Savannah River Site (SRS) stabilize and dispose of low-level radioactive salt solution originating from liquid waste storage tanks at the site. The Saltstone Production Facility (SPF) receives treated salt solution and mixes the aqueous waste with dry cement, blast furnace slag, and fly ash to form a grout slurry which is mechanically pumped into concrete disposal cells that compose the Saltstone Disposal Facility (SDF). The solidified grout is termed “saltstone”. Cementitious materials play a prominent role in the design and long-term performance of the SDF. The saltstone grout exhibits low permeability and diffusivity, and thus represents a physical barrier to waste release. The waste form is also reducing, which creates a chemical barrier to waste release for certain key radionuclides, notably Tc-99. Similarly, the concrete shell of an SDF disposal unit (SDU) represents an additional physical and chemical barrier to radionuclide release to the environment. Together the waste form and the SDU compose a robust containment structure at the time of facility closure. However, the physical and chemical state of cementitious materials will evolve over time through a variety of phenomena, leading to degraded barrier performance over Performance Assessment (PA) timescales of thousands to tens of thousands of years. Previous studies of cementitious material degradation in the context of low-level waste disposal have identified sulfate attack, carbonation influenced steel corrosion, and decalcification (primary constituent leaching) as the primary chemical degradation phenomena of most relevance to SRS exposure conditions. In this study, degradation time scales for each of these three degradation phenomena are estimated for saltstone and concrete associated with each SDU type under conservative, nominal, and best estimate assumptions. The nominal value (NV) is an intermediate result that is more probable than the conservative

  10. Technetium Sorption By Cementitious Materials Under Reducing Conditions

    SciTech Connect

    Kaplan, Daniel I.; Estes, Shanna L.; Arai, Yuji; Powell, Brian A.

    2013-07-18

    The objective of this study was to measure Tc sorption to cementitious materials under reducing conditions to simulate Saltstone Disposal Facility conditions. Earlier studies were conducted and the experimental conditions were found not to simulate those of the facility. Through a five month subcontract with Clemson University, sorption of {sup 99}Tc to four cementitious materials was examined within an anaerobic glovebag targeting a 0.1% H{sub 2}(g)/ 99.9% N{sub 2}(g) atmosphere. Early experiments based on Tc sorption and Eh indicated that 0.1% H{sub 2}(g) (a reductant) was necessary to preclude experimental impacts from O{sub 2}(g) diffusion into the glovebag. Preliminary data to date (up to 56 days) indicates that sorption of {sup 99}Tc to cementitious materials increased with increasing slag content for simulated saltstone samples. This is consistent with the conceptual model that redox active sulfide groups within the reducing slag facilitate reduction of Tc(VII) to Tc(IV). These experiments differ from previous experiments where a 2% H{sub 2}(g) atmosphere was maintained (Kaplan et al., 2011 (SRNL-STI-2010-00668)). The impact of the 2% H{sub 2}(g) reducing atmosphere on this data was examined and determined to cause the reduction of Tc in experimental samples without slag. In the present ongoing study, after 56 days, Tc sorption by the 50-year old cement samples (no slag) was undetectable, whereas Tc sorption in the cementitious materials containing slag continues to increase with contact time (measured after 1, 4, 8, 19 and 56 days). Sorption was not consistent with spike concentrations and steady state has not been demonstrated after 56 days. The average conditional K{sub d} value for the Vault 2 cementitious material was 873 mL/g (17% slag), for the TR547 Saltstone (45% slag) the conditional K{sub d} was 168 mL/g, and for TR545 (90% slag) the conditional K{sub d} was 1,619 mL/g. It is anticipated that additional samples will be collected until steady state

  11. INTEGRATION OF THE BIOGENIC EMISSIONS INVENTORY SYSTEM (BEIS3) INTO THE COMMUNITY MULTISCALE AIR QUALITY MODELING SYSTEM

    EPA Science Inventory

    The importance of biogenic emissions for regional air quality modeling is generally recognized [Guenther et al., 2000]. Since the 1980s, biogenic emission estimates have been derived from algorithms such as the Biogenic Emissions Inventory System (BEIS) [Pierce et. al., 1998]....

  12. Numerical Stochastic Homogenization Method and Multiscale Stochastic Finite Element Method - A Paradigm for Multiscale Computation of Stochastic PDEs

    SciTech Connect

    X. Frank Xu

    2010-03-30

    Multiscale modeling of stochastic systems, or uncertainty quantization of multiscale modeling is becoming an emerging research frontier, with rapidly growing engineering applications in nanotechnology, biotechnology, advanced materials, and geo-systems, etc. While tremendous efforts have been devoted to either stochastic methods or multiscale methods, little combined work had been done on integration of multiscale and stochastic methods, and there was no method formally available to tackle multiscale problems involving uncertainties. By developing an innovative Multiscale Stochastic Finite Element Method (MSFEM), this research has made a ground-breaking contribution to the emerging field of Multiscale Stochastic Modeling (MSM) (Fig 1). The theory of MSFEM basically decomposes a boundary value problem of random microstructure into a slow scale deterministic problem and a fast scale stochastic one. The slow scale problem corresponds to common engineering modeling practices where fine-scale microstructure is approximated by certain effective constitutive constants, which can be solved by using standard numerical solvers. The fast scale problem evaluates fluctuations of local quantities due to random microstructure, which is important for scale-coupling systems and particularly those involving failure mechanisms. The Green-function-based fast-scale solver developed in this research overcomes the curse-of-dimensionality commonly met in conventional approaches, by proposing a random field-based orthogonal expansion approach. The MSFEM formulated in this project paves the way to deliver the first computational tool/software on uncertainty quantification of multiscale systems. The applications of MSFEM on engineering problems will directly enhance our modeling capability on materials science (composite materials, nanostructures), geophysics (porous media, earthquake), biological systems (biological tissues, bones, protein folding). Continuous development of MSFEM will

  13. Nanomechanics and Multiscale Modeling of Sustainable Concretes

    NASA Astrophysics Data System (ADS)

    Zanjani Zadeh, Vahid

    The work presented in this dissertation is aimed to implement and further develop the recent advances in material characterization for porous and heterogeneous materials and apply these advances to sustainable concretes. The studied sustainable concretes were concrete containing fly ash and slag, Kenaf fiber reinforced concrete, and lightweight aggregate concrete. All these cement-based materials can be categorized as sustainable concrete, by achieving concrete with high strength while reducing cement consumption. The nanoindentation technique was used to infer the nanomechanical properties of the active hydration phases in bulk cement paste. Moreover, the interfacial transition zone (ITZ) of lightweight aggregate, normal aggregate, and Kenaf fibers were investigated using nanoindentation and imagine techniques, despite difficulties regarding characterizing this region. Samples were also tested after exposure to high temperature to evaluate the damage mechanics of sustainable concretes. It has been shown that there is a direct correlation between the nature of the nanoscale structure of a cement-based material with its macroscopic properties. This was addressed in two steps in this dissertation: (i) Nanoscale characterization of sustainable cementitious materials to understand the different role of fly ash, slag, lightweight aggregate, and Kenaf fibers on nanoscale (ii) Link the nanoscale mechanical properties to macroscale ones with multiscale modeling. The grid indentation technique originally developed for normal concrete was extended to sustainable concretes with more complex microstructure. The relation between morphology of cement paste materials and submicron mechanical properties, indentation modulus, hardness, and dissipated energy is explained in detail. Extensive experimental and analytical approaches were focused on description of the materials' heterogeneous microstructure as function of their composition and physical phenomenon. Quantitative

  14. Multiscale information modelling for heart morphogenesis

    NASA Astrophysics Data System (ADS)

    Abdulla, T.; Imms, R.; Schleich, J. M.; Summers, R.

    2010-07-01

    Science is made feasible by the adoption of common systems of units. As research has become more data intensive, especially in the biomedical domain, it requires the adoption of a common system of information models, to make explicit the relationship between one set of data and another, regardless of format. This is being realised through the OBO Foundry to develop a suite of reference ontologies, and NCBO Bioportal to provide services to integrate biomedical resources and functionality to visualise and create mappings between ontology terms. Biomedical experts tend to be focused at one level of spatial scale, be it biochemistry, cell biology, or anatomy. Likewise, the ontologies they use tend to be focused at a particular level of scale. There is increasing interest in a multiscale systems approach, which attempts to integrate between different levels of scale to gain understanding of emergent effects. This is a return to physiological medicine with a computational emphasis, exemplified by the worldwide Physiome initiative, and the European Union funded Network of Excellence in the Virtual Physiological Human. However, little work has been done on how information modelling itself may be tailored to a multiscale systems approach. We demonstrate how this can be done for the complex process of heart morphogenesis, which requires multiscale understanding in both time and spatial domains. Such an effort enables the integration of multiscale metrology.

  15. Development of Semantic Description for Multiscale Models of Thermo-Mechanical Treatment of Metal Alloys

    NASA Astrophysics Data System (ADS)

    Macioł, Piotr; Regulski, Krzysztof

    2016-08-01

    We present a process of semantic meta-model development for data management in an adaptable multiscale modeling framework. The main problems in ontology design are discussed, and a solution achieved as a result of the research is presented. The main concepts concerning the application and data management background for multiscale modeling were derived from the AM3 approach—object-oriented Agile multiscale modeling methodology. The ontological description of multiscale models enables validation of semantic correctness of data interchange between submodels. We also present a possibility of using the ontological model as a supervisor in conjunction with a multiscale model controller and a knowledge base system. Multiscale modeling formal ontology (MMFO), designed for describing multiscale models' data and structures, is presented. A need for applying meta-ontology in the MMFO development process is discussed. Examples of MMFO application in describing thermo-mechanical treatment of metal alloys are discussed. Present and future applications of MMFO are described.

  16. Development of Semantic Description for Multiscale Models of Thermo-Mechanical Treatment of Metal Alloys

    NASA Astrophysics Data System (ADS)

    Macioł, Piotr; Regulski, Krzysztof

    2016-06-01

    We present a process of semantic meta-model development for data management in an adaptable multiscale modeling framework. The main problems in ontology design are discussed, and a solution achieved as a result of the research is presented. The main concepts concerning the application and data management background for multiscale modeling were derived from the AM3 approach—object-oriented Agile multiscale modeling methodology. The ontological description of multiscale models enables validation of semantic correctness of data interchange between submodels. We also present a possibility of using the ontological model as a supervisor in conjunction with a multiscale model controller and a knowledge base system. Multiscale modeling formal ontology (MMFO), designed for describing multiscale models' data and structures, is presented. A need for applying meta-ontology in the MMFO development process is discussed. Examples of MMFO application in describing thermo-mechanical treatment of metal alloys are discussed. Present and future applications of MMFO are described.

  17. Short fiber-reinforced cementitious composites manufactured by extrusion technology

    NASA Astrophysics Data System (ADS)

    Mu, Bin

    The use of short fibers in the cement-based composites is more preferable due to the simplicity and economic nature in fabrication. The short fiber-reinforced cementitious composite (SFRCC) manufactured by the extrusion method show a great improvement in both strength and toughness as compared to the fiber-reinforced composites made by traditional casting methods. This improvement can be attributed to the achievement of low porosity and good interfacial bond in SFRCC under high shear and compressive stress during the extrusion process. In the present study, products of cylinders, sheets, pipes and honeycomb panels incorporating various mineral admixtures such as slag, silica fume, and metakaolin have been manufactured by the extrusion technology. Two kinds of short fibers, ductile polyvinyl alcohol (PVA) fibers and stronger but less ductile glass fibers, were used as the reinforcement in the products. After the specimens were extruded, tension, bending and impact tests were performed to study the mechanical properties of these products. The rheology test was performed for each mix to determine its viscoelastic properties. In addition, X-ray diffraction (XRD) and scanning electronic microscopy (SEM) technology were employed to get an insight view of the mechanism. A freezing and thawing experiment (ASTM C666) was also carried to investigate the durability of the specimens. Based on these experimental results, the reinforcing behaviors of these two short fibers were investigated. The enhancing effects of silica fume and metakaolin on the extrudates were compared and discussed. Finally, the optimum amount of silica fume and slag was proposed. Since the key point for a successful extrusion is the properly designed rheology which controls both internal and external flow properties of extrudate, a nonlinear viscoelastic model was applied to investigate the rheological behavior of a movable fresh cementitious composite in an extruder channel. The velocity profile of the

  18. An Analysis Platform for Multiscale Hydrogeologic Modeling with Emphasis on Hybrid Multiscale Methods

    SciTech Connect

    Scheibe, Timothy D.; Murphy, Ellyn M.; Chen, Xingyuan; Rice, Amy K.; Carroll, Kenneth C.; Palmer, Bruce J.; Tartakovsky, Alexandre M.; Battiato, Ilenia; Wood, Brian D.

    2015-01-01

    One of the most significant challenges facing hydrogeologic modelers is the disparity between those spatial and temporal scales at which fundamental flow, transport and reaction processes can best be understood and quantified (e.g., microscopic to pore scales, seconds to days) and those at which practical model predictions are needed (e.g., plume to aquifer scales, years to centuries). While the multiscale nature of hydrogeologic problems is widely recognized, technological limitations in computational and characterization restrict most practical modeling efforts to fairly coarse representations of heterogeneous properties and processes. For some modern problems, the necessary level of simplification is such that model parameters may lose physical meaning and model predictive ability is questionable for any conditions other than those to which the model was calibrated. Recently, there has been broad interest across a wide range of scientific and engineering disciplines in simulation approaches that more rigorously account for the multiscale nature of systems of interest. In this paper, we review a number of such approaches and propose a classification scheme for defining different types of multiscale simulation methods and those classes of problems to which they are most applicable. Our classification scheme is presented in terms of a flow chart (Multiscale Analysis Platform or MAP), and defines several different motifs of multiscale simulation. Within each motif, the member methods are reviewed and example applications are discussed. We focus attention on hybrid multiscale methods, in which two or more models with different physics described at fundamentally different scales are directly coupled within a single simulation. Very recently these methods have begun to be applied to groundwater flow and transport simulations, and we discuss these applications in the context of our classification scheme. As computational and characterization capabilities continue to

  19. Formation of amorphous alloys by ion beam mixing and its multiscale theoretical modeling in the equilibrium immiscible Sc-W system.

    PubMed

    Zhang, R F; Shen, Y X; Yan, H F; Liu, B X

    2005-03-17

    Unique amorphous alloys are synthesized at the compositions of 25 and 40 atom % of W by ion beam mixing in the equilibrium immiscible Sc-W system characterized by a positive heat of formation of +14 kJ/mol. In thermodynamic modeling, a Gibbs free energy diagram is constructed based on Miedema's theory, and the diagram predicts a glass-forming range of the Sc-W system to be within 12-58 atom % of W. To develop an atomistic model, ab initio calculations are first conducted to assist the construction of an n-body Sc-W potential under the embedded atom method. The proven realistic potential is applied in molecular dynamic simulations to study the crystal-to-amorphous transition in the Sc-W solid solutions, thus determining the glass-forming ability of the system to be within 15-50 atom % of W. Apparently, both theoretical predicted glass-forming ranges cover the experimentally measured one, showing an excellent agreement. We report, in this paper, the experimental results from ion beam mixing and the multiscale theoretical modeling concerning the amorphous alloy formation in the Sc-W system together with a brief discussion of the structural transition mechanism. PMID:16851507

  20. Multiscale Thermohydrologic Model

    SciTech Connect

    T. Buscheck

    2004-10-12

    The purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. Thus, the goal is to predict the range of possible thermal-hydrologic conditions across the repository; this is quite different from predicting a single expected thermal-hydrologic response. The MSTHM calculates the following thermal-hydrologic parameters: temperature, relative humidity, liquid-phase saturation, evaporation rate, air-mass fraction, gas-phase pressure, capillary pressure, and liquid- and gas-phase fluxes (Table 1-1). These thermal-hydrologic parameters are required to support ''Total System Performance Assessment (TSPA) Model/Analysis for the License Application'' (BSC 2004 [DIRS 168504]). The thermal-hydrologic parameters are determined as a function of position along each of the emplacement drifts and as a function of waste package type. These parameters are determined at various reference locations within the emplacement drifts, including the waste package and drip-shield surfaces and in the invert. The parameters are also determined at various defined locations in the adjoining host rock. The MSTHM uses data obtained from the data tracking numbers (DTNs) listed in Table 4.1-1. The majority of those DTNs were generated from the following analyses and model reports: (1) ''UZ Flow Model and Submodels'' (BSC 2004 [DIRS 169861]); (2) ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2004); (3) ''Calibrated Properties Model'' (BSC 2004 [DIRS 169857]); (4) ''Thermal Conductivity of the Potential Repository Horizon'' (BSC 2004 [DIRS 169854]); (5) ''Thermal Conductivity of the Non-Repository Lithostratigraphic Layers'' (BSC 2004 [DIRS 170033]); (6) ''Ventilation Model and Analysis Report'' (BSC 2004 [DIRS 169862]); (7) ''Heat Capacity

  1. Predicting the Probability of Failure of Cementitious Sewer Pipes Using Stochastic Finite Element Method.

    PubMed

    Alani, Amir M; Faramarzi, Asaad

    2015-06-10

    In this paper, a stochastic finite element method (SFEM) is employed to investigate the probability of failure of cementitious buried sewer pipes subjected to combined effect of corrosion and stresses. A non-linear time-dependant model is used to determine the extent of concrete corrosion. Using the SFEM, the effects of different random variables, including loads, pipe material, and corrosion on the remaining safe life of the cementitious sewer pipes are explored. A numerical example is presented to demonstrate the merit of the proposed SFEM in evaluating the effects of the contributing parameters upon the probability of failure of cementitious sewer pipes. The developed SFEM offers many advantages over traditional probabilistic techniques since it does not use any empirical equations in order to determine failure of pipes. The results of the SFEM can help the concerning industry (e.g., water companies) to better plan their resources by providing accurate prediction for the remaining safe life of cementitious sewer pipes.

  2. Saccharification of Miscanthus x giganteus, incorporation of lignocellulosic by-product in cementitious matrix.

    PubMed

    Le Ngoc Huyen, Tran; Queneudec T'kint, Michèle; Remond, Caroline; Chabbert, Brigitte; Dheilly, Rose-Marie

    2011-11-01

    Given the non competition of miscanthus with food and animal feed, this lignocellulosic species has attracted attention as a possible biofuel resource. However, sustainability of ethanol production from lignocelluloses biomass would imply reduction in the consumption of chemicals and/or energetic means, but also valorization of the lignocellulosic by-product remaining from enzymatic saccharification. Introduction of these by-products into a cementitious matrix could be used in manufacturing a lightweight composite. Miscanthus biomass was submitted to chemical pretreatments followed by saccharification using an enzymatic cocktail. Residues from saccharification were then mixed with a cementitious matrix. Given their mechanical properties and a good adherence between cement and by-product, the hardened materials could be used. However, the delay in the beginning of setting time is too long, which prevents the direct use of by-product into cementitious matrix. Preliminary experiments using a setting accelerator in the cementitious matrix permitted significant reduction in the setting time delay. PMID:22078741

  3. Effects of Iron Oxides on the Rheological Properties of Cementitious Slurry

    SciTech Connect

    Chung, Chul-Woo; Chun, Jaehun; Wang, Guohui; Um, Wooyong

    2014-04-02

    Iron oxide has been considered a promising host for immobilizing and encapsulating radioactive 99Tc (t1/2=2.1x105 year), which significantly enhances the stability of 99Tc within a cementitious waste form. However, the flow behavior of cementitious slurry containing iron oxide has never been investigated to ensure its workability, which directly influences the preparation and performance of the cementitious waste form monolith. Variation in the rheological properties of the cementitious slurry were studied using rheometry and ultrasonic wave reflection to understand the effects of various iron oxides (magnetite, hematite, ferrihydrite, and goethite) during the cement setting and stiffening processes. The rheological behavior significantly varied with the addition of different chemical compounds of iron oxides. Complementary microscopic characteristics such as colloidal vibration currents, morphology, and particle size distributions further suggest that the most adverse alteration of cement setting and stiffening behavior caused by the presence of goethite may be attributed to its acicular shape.

  4. Innovation in use and research on cementitious material

    SciTech Connect

    Scrivener, Karen L. Kirkpatrick, R. James

    2008-02-15

    In this paper we discuss innovations in concrete technology which are currently being applied in the field-namely high and ultra high performance (strength), and self consolidating concrete. We discuss the factors which have enabled these developments and ongoing needs in these areas. The importance of sustainability as the major driver for future innovations and prospects for development of new cementitious materials with lower environmental impact is briefly discussed. Finally the importance of innovation in research is examined. The dramatic development in experimental and computational techniques over recent years opens up wide-ranging possibilities for understanding the micro- and nano- scale chemical and physical processes which underlie performance at a macroscopic level. The example of computational approaches at the atomic and molecular scale is presented in detail. In order to exploit the opportunities presented by such new techniques, there needs to be greater efforts to structure interdisciplinary, multi-group research.

  5. Cementitious Stabilization of Mixed Wastes with High Salt Loadings

    SciTech Connect

    Spence, R.D.; Burgess, M.W.; Fedorov, V.V.; Downing, D.J.

    1999-04-01

    Salt loadings approaching 50 wt % were tolerated in cementitious waste forms that still met leach and strength criteria, addressing a Technology Deficiency of low salt loadings previously identified by the Mixed Waste Focus Area. A statistical design quantified the effect of different stabilizing ingredients and salt loading on performance at lower loadings, allowing selection of the more effective ingredients for studying the higher salt loadings. In general, the final waste form needed to consist of 25 wt % of the dry stabilizing ingredients to meet the criteria used and 25 wt % water to form a workable paste, leaving 50 wt % for waste solids. The salt loading depends on the salt content of the waste solids but could be as high as 50 wt % if all the waste solids are salt.

  6. Quantifying prediction fidelity in multiscale multiphysics simulations.

    SciTech Connect

    Adalsteinsson, Helgi

    2010-04-01

    Multiscale multiphysics problems arise in a host of application areas of significant relevance to DOE, including electrical storage systems (membranes and electrodes in fuel cells, batteries, and ultracapacitors), water surety, chemical analysis and detection systems, and surface catalysis. Multiscale methods aim to provide detailed physical insight into these complex systems by incorporating coupled effects of relevant phenomena on all scales. However, many sources of uncertainty and modeling inaccuracies hamper the predictive fidelity of multiscale multiphysics simulations. These include parametric and model uncertainties in the models on all scales, and errors associated with coupling, or information transfer, across scales/physics. This presentation introduces our work on the development of uncertainty quantification methods for spatially decomposed atomistic-to-continuum (A2C) multiscale simulations. The key thrusts of this research effort are: inference of uncertain parameters or observables from experimental or simulation data; propagation of uncertainty through particle models; propagation of uncertainty through continuum models; propagation of information and uncertainty across model/scale interfaces; and numerical and computational analysis and control. To enable the bidirectional coupling between the atomistic and continuum simulations, a general formulation has been developed for the characterization of sampling noise due to intrinsic variability in particle simulations, and for the propagation of both this sampling noise and parametric uncertainties through coupled A2C multiscale simulations. Simplified tests of noise quantification in particle computations are conducted through Bayesian inference of diffusion rates in an idealized isothermal binary material system. A proof of concept is finally presented based on application of the present formulation to the propagation of uncertainties in a model plane Couette flow, where the near wall region is

  7. Bench-scale feasibility testing of pulsed-air technology for in-tank mixing of dry cementitious solids with tank liquids and settled solids

    SciTech Connect

    Whyatt, G.A.; Hymas, C.R.

    1997-09-01

    This report documents the results of testing performed to determine the feasibility of using a pulsed-air mixing technology (equipment developed by Pulsair Systems, Inc., Bellevue, WA) to mix cementitious dry solids with supernatant and settled solids within a horizontal tank. The mixing technology is being considered to provide in situ stabilization of the {open_quotes}V{close_quotes} tanks at the Idaho National Engineering and Environmental Laboratory (INEEL). The testing was performed in a vessel roughly 1/6 the scale of the INEEL tanks. The tests used a fine soil to simulate settled solids and water to simulate tank supernatants. The cementitious dry materials consisted of Portland cement and Aquaset-2H (a product of Fluid Tech Inc. consisting of clay and Portland cement). Two scoping tests were conducted to allow suitable mixing parameters to be selected. The scoping tests used only visual observations during grout disassembly to assess mixing performance. After the scoping tests indicated the approach may be feasible, an additional two mixing tests were conducted. In addition to visual observations during disassembly of the solidified grout, these tests included addition of chemical tracers and chemical analysis of samples to determine the degree of mixing uniformity achieved. The final two mixing tests demonstrated that the pulsed-air mixing technique is capable of producing slurries containing substantially more cementitious dry solids than indicated by the formulations suggested by INEEL staff. Including additional cement in the formulation may have benefits in terms of increasing mobilization of solids, reducing water separation during curing, and increasing the strength of the solidified product. During addition to the tank, the cementitious solids had a tendency to form clumps which broke down with continued mixing.

  8. Integrating Multiscale Modeling with Drug Effects for Cancer Treatment

    PubMed Central

    Li, Xiangfang L.; Oduola, Wasiu O.; Qian, Lijun; Dougherty, Edward R.

    2015-01-01

    In this paper, we review multiscale modeling for cancer treatment with the incorporation of drug effects from an applied system’s pharmacology perspective. Both the classical pharmacology and systems biology are inherently quantitative; however, systems biology focuses more on networks and multi factorial controls over biological processes rather than on drugs and targets in isolation, whereas systems pharmacology has a strong focus on studying drugs with regard to the pharmacokinetic (PK) and pharmacodynamic (PD) relations accompanying drug interactions with multiscale physiology as well as the prediction of dosage-exposure responses and economic potentials of drugs. Thus, it requires multiscale methods to address the need for integrating models from the molecular levels to the cellular, tissue, and organism levels. It is a common belief that tumorigenesis and tumor growth can be best understood and tackled by employing and integrating a multifaceted approach that includes in vivo and in vitro experiments, in silico models, multiscale tumor modeling, continuous/discrete modeling, agent-based modeling, and multiscale modeling with PK/PD drug effect inputs. We provide an example application of multiscale modeling employing stochastic hybrid system for a colon cancer cell line HCT-116 with the application of Lapatinib drug. It is observed that the simulation results are similar to those observed from the setup of the wet-lab experiments at the Translational Genomics Research Institute. PMID:26792977

  9. Concurrent Multiscale Modeling of Embedded Nanomechanics

    SciTech Connect

    Rudd, R E

    2001-04-13

    We discuss concurrent multiscale simulations of dynamic and temperature-dependent processes found in nanomechanical systems coupled to larger scale surroundings. We focus on the behavior of sub-micron Micro-Electro-Mechanical Systems (MEMS), especially micro-resonators. The coupling of length scales methodology we have developed for MEMS employs an atomistic description of small but key regions of the system, consisting of millions of atoms, coupled concurrently to a finite element model of the periphery. The result is a model that accurately describes the behavior of the mechanical components of MEMS down to the atomic scale. This paper reviews some of the general issues involved in concurrent multiscale simulation, extends the methodology to metallic systems and describes how it has been used to identify atomistic effects in sub-micron resonators.

  10. Novel Multiscale Modeling Tool Applied to Pseudomonas aeruginosa Biofilm Formation

    PubMed Central

    Biggs, Matthew B.; Papin, Jason A.

    2013-01-01

    Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool. PMID:24147108

  11. REVIEW OF MECHANISTIC UNDERSTANDING AND MODELING AND UNCERTAINTY ANALYSIS METHODS FOR PREDICTING CEMENTITIOUS BARRIER PERFORMANCE

    SciTech Connect

    Langton, C.; Kosson, D.

    2009-11-30

    Cementitious barriers for nuclear applications are one of the primary controls for preventing or limiting radionuclide release into the environment. At the present time, performance and risk assessments do not fully incorporate the effectiveness of engineered barriers because the processes that influence performance are coupled and complicated. Better understanding the behavior of cementitious barriers is necessary to evaluate and improve the design of materials and structures used for radioactive waste containment, life extension of current nuclear facilities, and design of future nuclear facilities, including those needed for nuclear fuel storage and processing, nuclear power production and waste management. The focus of the Cementitious Barriers Partnership (CBP) literature review is to document the current level of knowledge with respect to: (1) mechanisms and processes that directly influence the performance of cementitious materials (2) methodologies for modeling the performance of these mechanisms and processes and (3) approaches to addressing and quantifying uncertainties associated with performance predictions. This will serve as an important reference document for the professional community responsible for the design and performance assessment of cementitious materials in nuclear applications. This review also provides a multi-disciplinary foundation for identification, research, development and demonstration of improvements in conceptual understanding, measurements and performance modeling that would be lead to significant reductions in the uncertainties and improved confidence in the estimating the long-term performance of cementitious materials in nuclear applications. This report identifies: (1) technology gaps that may be filled by the CBP project and also (2) information and computational methods that are in currently being applied in related fields but have not yet been incorporated into performance assessments of cementitious barriers. The various

  12. CEMENTITIOUS GROUT FOR CLOSING SRS HIGH LEVEL WASTE TANKS - #12315

    SciTech Connect

    Langton, C.; Burns, H.; Stefanko, D.

    2012-01-10

    In 1997, the first two United States Department of Energy (US DOE) high level waste tanks (Tanks 17-F and 20-F: Type IV, single shell tanks) were taken out of service (permanently closed) at the Savannah River Site (SRS). In 2012, the DOE plans to remove from service two additional Savannah River Site (SRS) Type IV high-level waste tanks, Tanks 18-F and 19-F. These tanks were constructed in the late 1950's and received low-heat waste and do not contain cooling coils. Operational closure of Tanks 18-F and 19-F is intended to be consistent with the applicable requirements of the Resource Conservation and Recovery Act (RCRA) and the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and will be performed in accordance with South Carolina Department of Health and Environmental Control (SCDHEC). The closure will physically stabilize two 4.92E+04 cubic meter (1.3 E+06 gallon) carbon steel tanks and isolate and stabilize any residual contaminants left in the tanks. The closure will also fill, physically stabilize and isolate ancillary equipment abandoned in the tanks. A Performance Assessment (PA) has been developed to assess the long-term fate and transport of residual contamination in the environment resulting from the operational closure of the F-Area Tank Farm (FTF) waste tanks. Next generation flowable, zero-bleed cementitious grouts were designed, tested, and specified for closing Tanks 18-F and 19-F and for filling the abandoned equipment. Fill requirements were developed for both the tank and equipment grouts. All grout formulations were required to be alkaline with a pH of 12.4 and chemically reduction potential (Eh) of -200 to -400 to stabilize selected potential contaminants of concern. This was achieved by including Portland cement and Grade 100 slag in the mixes, respectively. Ingredients and proportions of cementitious reagents were selected and adjusted, respectively, to support the mass placement strategy developed by closure

  13. Multiscale dynamics in relaxor ferroelectrics

    SciTech Connect

    Toulouse, J.; Cai, L; Pattnaik, R. K.; Boatner, Lynn A

    2014-01-01

    The multiscale dynamics of complex oxides is illustrated by pairs of mechanical resonances that are excited in the relaxor ferroelectric K1 xLixTaO3 (KLT). These macroscopic resonances are shown to originate in the collective dynamics of piezoelectric polar nanodomains (PND) interacting with the surrounding lattice. Their characteristic Fano lineshapes and rapid evolution with temperature reveal the coherent interplay between the piezoelectric oscillations and orientational relaxations of the PNDs at higher temperature and the contribution of heterophase oscillations near the phase transition. A theoretical model is presented, that describes the evolution of the resonances over the entire temperature range. Similar resonances are observed in other relaxors and must therefore be a common characteristics of these systems.

  14. Multi-scale modeling in cell biology

    PubMed Central

    Meier-Schellersheim, Martin; Fraser, Iain D. C.; Klauschen, Frederick

    2009-01-01

    Biomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring such multi-scale systems quantitatively with the help of simulations have to incorporate several different simulation techniques due to the different time and space scales involved. Here, we provide a non-technical overview of how different scales of experimental research can be combined with the appropriate computational modeling techniques. We also show that current modeling software permits building and simulating multi-scale models without having to become involved with the underlying technical details of computational modeling. PMID:20448808

  15. Nano-modification to improve the ductility of cementitious composites

    SciTech Connect

    Yeşilmen, Seda; Al-Najjar, Yazin; Balav, Mohammad Hatam; Şahmaran, Mustafa; Yıldırım, Gürkan; Lachemi, Mohamed

    2015-10-15

    Effect of nano-sized mineral additions on ductility of engineered cementitious composites (ECC) containing high volumes of fly ash was investigated at different hydration degrees. Various properties of ECC mixtures with different mineral additions were compared in terms of microstructural properties of matrix, fiber-matrix interface, and fiber surface to assess improvements in ductility. Microstructural characterization was made by measuring pore size distributions through mercury intrusion porosimetry (MIP). Hydration characteristics were assessed using thermogravimetric analysis/differential thermal analysis (TGA/DTA), and fiber-matrix interface and fiber surface characteristics were assessed using scanning electron microscopy (SEM) through a period of 90 days. Moreover, compressive and flexural strength developments were monitored for the same period. Test results confirmed that mineral additions could significantly improve both flexural strength and ductility of ECC, especially at early ages. Cheaper Nano-CaCO{sub 3} was more effective compared to nano-silica. However, the crystal structure of CaCO{sub 3} played a very important role in the range of expected improvements.

  16. Damage development, phase changes, transport properties, and freeze-thaw performance of cementitious materials exposed to chloride based salts

    NASA Astrophysics Data System (ADS)

    Farnam, Yaghoob

    Recently, there has been a dramatic increase in premature deterioration in concrete pavements and flat works that are exposed to chloride based salts. Chloride based salts can cause damage and deterioration in concrete due to the combination of factors which include: increased saturation, ice formation, salt crystallization, osmotic pressure, corrosion in steel reinforcement, and/or deleterious chemical reactions. This thesis discusses how chloride based salts interact with cementitious materials to (1) develop damage in concrete, (2) create new chemical phases in concrete, (3) alter transport properties of concrete, and (4) change the concrete freeze-thaw performance. A longitudinal guarded comparative calorimeter (LGCC) was developed to simultaneously measure heat flow, damage development, and phase changes in mortar samples exposed to sodium chloride (NaCl), calcium chloride (CaCl 2), and magnesium chloride (MgCl2) under thermal cycling. Acoustic emission and electrical resistivity measurements were used in conjunction with the LGCC to assess damage development and electrical response of mortar samples during cooling and heating. A low-temperature differential scanning calorimetry (LT-DSC) was used to evaluate the chemical interaction that occurs between the constituents of cementitious materials (i.e., pore solution, calcium hydroxide, and hydrated cement paste) and salts. Salts were observed to alter the classical phase diagram for a salt-water system which has been conventionally used to interpret the freeze-thaw behavior in concrete. An additional chemical phase change was observed for a concrete-salt-water system resulting in severe damage in cementitious materials. In a cementitious system exposed to NaCl, the chemical phase change occurs at a temperature range between -6 °C and 8 °C due to the presence of calcium sulfoaluminate phases in concrete. As a result, concrete exposed to NaCl can experience additional freeze-thaw cycles due to the chemical

  17. Damage development, phase changes, transport properties, and freeze-thaw performance of cementitious materials exposed to chloride based salts

    NASA Astrophysics Data System (ADS)

    Farnam, Yaghoob

    Recently, there has been a dramatic increase in premature deterioration in concrete pavements and flat works that are exposed to chloride based salts. Chloride based salts can cause damage and deterioration in concrete due to the combination of factors which include: increased saturation, ice formation, salt crystallization, osmotic pressure, corrosion in steel reinforcement, and/or deleterious chemical reactions. This thesis discusses how chloride based salts interact with cementitious materials to (1) develop damage in concrete, (2) create new chemical phases in concrete, (3) alter transport properties of concrete, and (4) change the concrete freeze-thaw performance. A longitudinal guarded comparative calorimeter (LGCC) was developed to simultaneously measure heat flow, damage development, and phase changes in mortar samples exposed to sodium chloride (NaCl), calcium chloride (CaCl 2), and magnesium chloride (MgCl2) under thermal cycling. Acoustic emission and electrical resistivity measurements were used in conjunction with the LGCC to assess damage development and electrical response of mortar samples during cooling and heating. A low-temperature differential scanning calorimetry (LT-DSC) was used to evaluate the chemical interaction that occurs between the constituents of cementitious materials (i.e., pore solution, calcium hydroxide, and hydrated cement paste) and salts. Salts were observed to alter the classical phase diagram for a salt-water system which has been conventionally used to interpret the freeze-thaw behavior in concrete. An additional chemical phase change was observed for a concrete-salt-water system resulting in severe damage in cementitious materials. In a cementitious system exposed to NaCl, the chemical phase change occurs at a temperature range between -6 °C and 8 °C due to the presence of calcium sulfoaluminate phases in concrete. As a result, concrete exposed to NaCl can experience additional freeze-thaw cycles due to the chemical

  18. Multi-Scale Ionospheric Responses to the St. Patrick's Day Storm (2015) Studied Using a Multimodel Ensemble Prediction System and GPS Data

    NASA Astrophysics Data System (ADS)

    Pi, X.; Butala, M.; Vergados, P.; Mannucci, A. J.; Komjathy, A.; Wang, C.; Rosen, G.; Schunk, R. W.; Scherliess, L.; Eccles, V.; Gardner, L. C.; Sojka, J. J.; Zhu, L.

    2015-12-01

    Under the U.S. NASA and NSF collaborative space weather modeling initiative, a Multimodel Ensemble Prediction System (MEPS) for ionosphere-thermosphere-electrodynamics is being developed. The system includes several Global Assimilative Ionospheric Models (GAIMs) developed by the investigators from Utah State University, Jet Propulsion Laboratory, and University of Southern California. In this study, four GAIMs are applied to a study of ionospheric response to the 17 March 2015 St. Patrick's Day storm. It is the most severe geomagnetic storm in the current solar cycle so far. The daily planetary magnetic Ap index and magnetic Kp, Dst, as well as AE indices reached their very high values, i.e., 108, 8, -202 nT, and 2269 nT, respectively. In the assimilative modeling, GPS data from hundreds of globally-distributed ground stations and a number of COSMIC satellites are assimilated into GAIMs to reproduce ionospheric 3-D volume densities and 2-D total electron content (TEC) during the severe storm. Evolution of strong, latitudinally-dependent, and hemispherically asymmetric ionospheric disturbances is revealed through the assimilative modeling. Using the same GPS data, Global Maps of Ionospheric Irregularities and Scintillation (GMIIS) have also been produced. Comparisons of the modeled large-scale ionospheric disturbances and measured small-scale ionospheric irregularities offer additional insight into the M-I-T coupling processes in different regions during varying storm phases. This presentation will provide a picture of distinguished multi-scale ionospheric response to the coronal mass ejection (CME) event during the major geomagnetic storm.

  19. Multiscale modeling of mucosal immune responses

    PubMed Central

    2015-01-01

    Computational modeling techniques are playing increasingly important roles in advancing a systems-level mechanistic understanding of biological processes. Computer simulations guide and underpin experimental and clinical efforts. This study presents ENteric Immune Simulator (ENISI), a multiscale modeling tool for modeling the mucosal immune responses. ENISI's modeling environment can simulate in silico experiments from molecular signaling pathways to tissue level events such as tissue lesion formation. ENISI's architecture integrates multiple modeling technologies including ABM (agent-based modeling), ODE (ordinary differential equations), SDE (stochastic modeling equations), and PDE (partial differential equations). This paper focuses on the implementation and developmental challenges of ENISI. A multiscale model of mucosal immune responses during colonic inflammation, including CD4+ T cell differentiation and tissue level cell-cell interactions was developed to illustrate the capabilities, power and scope of ENISI MSM. Background Computational techniques are becoming increasingly powerful and modeling tools for biological systems are of greater needs. Biological systems are inherently multiscale, from molecules to tissues and from nano-seconds to a lifespan of several years or decades. ENISI MSM integrates multiple modeling technologies to understand immunological processes from signaling pathways within cells to lesion formation at the tissue level. This paper examines and summarizes the technical details of ENISI, from its initial version to its latest cutting-edge implementation. Implementation Object-oriented programming approach is adopted to develop a suite of tools based on ENISI. Multiple modeling technologies are integrated to visualize tissues, cells as well as proteins; furthermore, performance matching between the scales is addressed. Conclusion We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut

  20. New Method for Accurate Calibration of Micro-Channel Plate based Detection Systems and its use in the Fast Plasma Investigation of NASA's Magnetospheric MultiScale Mission

    NASA Astrophysics Data System (ADS)

    Gliese, U.; Avanov, L. A.; Barrie, A.; Kujawski, J. T.; Mariano, A. J.; Tucker, C. J.; Chornay, D. J.; Cao, N. T.; Zeuch, M.; Pollock, C. J.; Jacques, A. D.

    2013-12-01

    The Fast Plasma Investigation (FPI) of the NASA Magnetospheric MultiScale (MMS) mission employs 16 Dual Electron Spectrometers (DESs) and 16 Dual Ion Spectrometers (DISs) with 4 of each type on each of 4 spacecraft to enable fast (30ms for electrons; 150ms for ions) and spatially differentiated measurements of full the 3D particle velocity distributions. This approach presents a new and challenging aspect to the calibration and operation of these instruments on ground and in flight. The response uniformity and reliability of their calibration and the approach to handling any temporal evolution of these calibrated characteristics all assume enhanced importance in this application, where we attempt to understand the meaning of particle distributions within the ion and electron diffusion regions. Traditionally, the micro-channel plate (MCP) based detection systems for electrostatic particle spectrometers have been calibrated by setting a fixed detection threshold and, subsequently, measuring a detection system count rate plateau curve to determine the MCP voltage that ensures the count rate has reached a constant value independent of further variation in the MCP voltage. This is achieved when most of the MCP pulse height distribution (PHD) is located at higher values (larger pulses) than the detection amplifier threshold. This method is adequate in single-channel detection systems and in multi-channel detection systems with very low crosstalk between channels. However, in dense multi-channel systems, it can be inadequate. Furthermore, it fails to fully and individually characterize each of the fundamental parameters of the detection system. We present a new detection system calibration method that enables accurate and repeatable measurement and calibration of MCP gain, MCP efficiency, signal loss due to variation in gain and efficiency, crosstalk from effects both above and below the MCP, noise margin, and stability margin in one single measurement. The fundamental

  1. DEMONSTRATION OF LEACHXS/ORCHESTRA CAPABILITIES BY SIMULATING CONSTITUENT RELEASE FROM A CEMENTITIOUS WASTE FORM IN A REINFORCED CONCRETE VAULT

    SciTech Connect

    Langton, C.; Meeussen, J.; Sloot, H.

    2010-03-31

    The objective of the work described in this report is to demonstrate the capabilities of the current version of LeachXS{trademark}/ORCHESTRA for simulating chemical behavior and constituent release processes in a range of applications that are relevant to the CBP. This report illustrates the use of LeachXS{trademark}/ORCHESTRA for the following applications: (1) Comparing model and experimental results for leaching tests for a range of cementitious materials including cement mortars, grout, stabilized waste, and concrete. The leaching test data includes liquid-solid partitioning as a function of pH and release rates based on laboratory column, monolith, and field testing. (2) Modeling chemical speciation of constituents in cementitious materials, including liquid-solid partitioning and release rates. (3) Evaluating uncertainty in model predictions based on uncertainty in underlying composition, thermodynamic, and transport characteristics. (4) Generating predominance diagrams to evaluate predicted chemical changes as a result of material aging using the example of exposure to atmospheric conditions. (5) Modeling coupled geochemical speciation and diffusion in a three layer system consisting of a layer of Saltstone, a concrete barrier, and a layer of soil in contact with air. The simulations show developing concentration fronts over a time period of 1000 years. (6) Modeling sulfate attack and cracking due to ettringite formation. A detailed example for this case is provided in a separate article by the authors (Sarkar et al. 2010). Finally, based on the computed results, the sensitive input parameters for this type of modeling are identified and discussed. The chemical speciation behavior of substances is calculated for a batch system and also in combination with transport and within a three layer system. This includes release from a barrier to the surrounding soil as a function of time. As input for the simulations, the physical and chemical properties of the

  2. Multi-scale renormalization

    NASA Astrophysics Data System (ADS)

    Ford, C.; Wiesendanger, C.

    1997-02-01

    The standard MS renormalization prescription is inadequate for dealing with multi-scale problems. To illustrate this we consider the computation of the effective potential in the Higgs-Yukawa model. It is argued that it is natural to employ a two-scale renormalization group. We give a modified version of a two-scale scheme introduced by Einhorn and Jones. In such schemes the beta functions necessarily contain potentially large logarithms of the RG scale ratios. For credible perturbation theory one must implement a large logarithms resummation on the beta functions themselves. We show how the integrability condition for the two RG equations allows one to perform this resummation.

  3. The Magnetospheric Multiscale Mission

    NASA Astrophysics Data System (ADS)

    Burch, James

    Magnetospheric Multiscale (MMS), a NASA four-spacecraft mission scheduled for launch in November 2014, will investigate magnetic reconnection in the boundary regions of the Earth’s magnetosphere, particularly along its dayside boundary with the solar wind and the neutral sheet in the magnetic tail. Among the important questions about reconnection that will be addressed are the following: Under what conditions can magnetic-field energy be converted to plasma energy by the annihilation of magnetic field through reconnection? How does reconnection vary with time, and what factors influence its temporal behavior? What microscale processes are responsible for reconnection? What determines the rate of reconnection?
In order to accomplish its goals the MMS spacecraft must probe both those regions in which the magnetic fields are very nearly antiparallel and regions where a significant guide field exists. From previous missions we know the approximate speeds with which reconnection layers move through space to be from tens to hundreds of km/s. For electron skin depths of 5 to 10 km, the full 3D electron population (10 eV to above 20 keV) has to be sampled at rates greater than 10/s. The MMS Fast-Plasma Instrument (FPI) will sample electrons at greater than 30/s. Because the ion skin depth is larger, FPI will make full ion measurements at rates of greater than 6/s. 3D E-field measurements will be made by MMS once every ms. MMS will use an Active Spacecraft Potential Control device (ASPOC), which emits indium ions to neutralize the photoelectron current and keep the spacecraft from charging to more than +4 V. Because ion dynamics in Hall reconnection depend sensitively on ion mass, MMS includes a new-generation Hot Plasma Composition Analyzer (HPCA) that corrects problems with high proton fluxes that have prevented accurate ion-composition measurements near the dayside magnetospheric boundary. Finally, Energetic Particle Detector (EPD) measurements of electrons and

  4. Evaluation of the Community Multiscale Air Quality (CMAQ) modeling system against size-resolved measurements of inorganic particle composition across sites in North America

    EPA Science Inventory

    This work evaluates particle size-composition distributions simulated by the Community Multiscale Air Quality (CMAQ) model using Micro-Orifice Uniform Deposit Impactor (MOUDI) measurements at 18 sites across North America. Size-resolved measurements of particulate SO4<...

  5. Thermally conductive cementitious grouts for geothermal heat pumps. Progress report FY 1998

    SciTech Connect

    Allan, M.L.; Philippacopoulos, A.J.

    1998-11-01

    Research commenced in FY 97 to determine the suitability of superplasticized cement-sand grouts for backfilling vertical boreholes used with geothermal heat pump (GHP) systems. The overall objectives were to develop, evaluate and demonstrate cementitious grouts that could reduce the required bore length and improve the performance of GHPs. This report summarizes the accomplishments in FY 98. The developed thermally conductive grout consists of cement, water, a particular grade of silica sand, superplasticizer and a small amount of bentonite. While the primary function of the grout is to facilitate heat transfer between the U-loop and surrounding formation, it is also essential that the grout act as an effective borehole sealant. Two types of permeability (hydraulic conductivity) tests was conducted to evaluate the sealing performance of the cement-sand grout. Additional properties of the proposed grout that were investigated include bleeding, shrinkage, bond strength, freeze-thaw durability, compressive, flexural and tensile strengths, elastic modulus, Poisson`s ratio and ultrasonic pulse velocity.

  6. Characteristics of high temperature cementitious lost-circulation control materials for geothermal wells

    SciTech Connect

    Sugama, T.; Kukacka, L.E.; Galen, B.G.; Milestone, N.B.

    1986-01-01

    Materials systems have been formulated for the in situ conversion of water-based bentonite drilling fluids into cementitious lost-circulation control materials (CLCM) for use in geothermal wells at temperatures up to 300/sup 0/C. The formulations consist of a cement hardener, a borax admixture, and a fiber glass bridging material which are added to the bentonite fluids. Evaluations of the properties of the slurry and the cured CLCMS revealed that the ions supplied by dissociation of the borax in the CLCM slurry acted to suppress the bentonite hydration and retarded the hardening rate of the cement at elevated temperatures. The CaO-SiO/sub 2/-H/sub 2/O (C-S-H) phases formed during curing of the CLCM play essential roles in improving the quality of the hardened CLCMs. It was observed that xonotlite-truscottite transformation resulted in strength reductions and increased water permeability. The plugging ability of fiber glass depends on the conentration and fiber size. The silicate ions dissolved by hot alkaline disintegration of the fiber glass were chemisorbed with Ca/sup 2 +/ ions from the cement and led to the precipitation of C-S-H compounds on the fiber surfaces, which improved bond strength at the matrix-fiber interfaces.

  7. Cracks and pores - Their roles in the transmission of water confined in cementitious materials

    NASA Astrophysics Data System (ADS)

    Bordallo, H. N.; Aldridge, L. P.; Wuttke, J.; Fernando, K.; Bertram, W. K.; Pardo, L. C.

    2010-10-01

    Cement paste is formed through a process called hydration by combining water with a cementitious material. Concrete, the worlds most versatile and most widely used material, can then be obtained when aggregates (sand, gravel, crushed stone) are added to the paste. The quality of hardened concrete is greatly influenced by the water confined in the cementitious materials and how it is transmitted through cracks and pores. Here we demonstrate that the water transport in cracks and capillary pores of hardened cement pastes can be approximately modeled by simple equations. Our findings highlight the significance of arresting the development of cracks in cementitious materials used in repository barriers. We also show that neutron scattering is an advantageous technique for understanding how water transmission is effected by gel pore structures. Defining measurable differences in gel pores may hold a key to prediction of the reduction of water transport through cement barriers.

  8. Appraisal of a cementitious material for waste disposal: Neutron imaging studies of pore structure and sorptivity

    SciTech Connect

    McGlinn, Peter J.; Beer, Frikkie C. de; Aldridge, Laurence P.; Radebe, Mabuti J.; Nshimirimana, Robert; Brew, Daniel R.M.; Payne, Timothy E.; Olufson, Kylie P.

    2010-08-15

    Cementitious materials are conventionally used in conditioning intermediate and low level radioactive waste. In this study a candidate cement-based wasteform has been investigated using neutron imaging to characterise the wasteform for disposal in a repository for radioactive materials. Imaging showed both the pore size distribution and the extent of the cracking that had occurred in the samples. The rate of the water penetration measured both by conventional sorptivity measurements and neutron imaging was greater than in pastes made from Ordinary Portland Cement. The ability of the cracks to distribute the water through the sample in a very short time was also evident. The study highlights the significant potential of neutron imaging in the investigation of cementitious materials. The technique has the advantage of visualising and measuring, non-destructively, material distribution within macroscopic samples and is particularly useful in defining movement of water through the cementitious materials.

  9. Multiscale perspectives of virus entry via endocytosis

    PubMed Central

    2013-01-01

    Most viruses take advantage of endocytic pathways to gain entry into host cells and initiate infections. Understanding of virus entry via endocytosis is critically important for the design of antiviral strategies. Virus entry via endocytosis is a complex process involving hundreds of cellular proteins. The entire process is dictated by events occurring at multiple time and length scales. In this review, we discuss and evaluate the available means to investigate virus endocytic entry, from both experimental and theoretical/numerical modeling fronts, and highlight the importance of multiscale features. The complexity of the process requires investigations at a systems biology level, which involves the combination of different experimental approaches, the collaboration of experimentalists and theorists across different disciplines, and the development of novel multiscale models. PMID:23734580

  10. Ensemble-based multi-scale assimilation

    NASA Astrophysics Data System (ADS)

    Ravela, S.; Hansen, J.; Hill, C.; Hill, H.; Marshall, J.

    2003-04-01

    We develop ensemble methods for constraining numerical models due to errors induced both by uncertain initial states and model structure. In the present paper, circulation phenomena are physically simulated in a laboratory and sensors are used to extract observations (velocity, temperature, etc.). Ensembles of the MITGCM constructed across variations in state and model-parameterizations are assimilated with observations over sliding multi-scale assimilation windows to regulate the trajectory of the model attractors vis a vis the system attractor. The novel contribution of this work is in bringing together the use of multi-scale assimilations, physical processes of moderate complexity, techniques for extracting flow and providing physically meaningful ways to alter analyses for minimizing model/data misfit.

  11. MULTISCALE THERMOHYDROLOGIC MODEL

    SciTech Connect

    T. Buscheck

    2005-07-07

    The intended purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. The goal of the MSTHM is to predict a reasonable range of possible thermal-hydrologic conditions within the emplacement drift. To be reasonable, this range includes the influence of waste-package-to-waste-package heat output variability relevant to the license application design, as well as the influence of uncertainty and variability in the geologic and hydrologic conditions relevant to predicting the thermal-hydrologic response in emplacement drifts. This goal is quite different from the goal of a model to predict a single expected thermal-hydrologic response. As a result, the development and validation of the MSTHM and the associated analyses using this model are focused on the goal of predicting a reasonable range of thermal-hydrologic conditions resulting from parametric uncertainty and waste-package-to-waste-package heat-output variability. Thermal-hydrologic conditions within emplacement drifts depend primarily on thermal-hydrologic conditions in the host rock at the drift wall and on the temperature difference between the drift wall and the drip-shield and waste-package surfaces. Thus, the ability to predict a reasonable range of relevant in-drift MSTHM output parameters (e.g., temperature and relative humidity) is based on valid predictions of thermal-hydrologic processes in the host rock, as well as valid predictions of heat-transfer processes between the drift wall and the drip-shield and waste-package surfaces. Because the invert contains crushed gravel derived from the host rock, the invert is, in effect, an extension of the host rock, with thermal and hydrologic properties that have been modified by virtue of the crushing (and the resulting

  12. MULTISCALE PHENOMENA IN MATERIALS

    SciTech Connect

    A. BISHOP

    2000-09-01

    This project developed and supported a technology base in nonequilibrium phenomena underpinning fundamental issues in condensed matter and materials science, and applied this technology to selected problems. In this way the increasingly sophisticated synthesis and characterization available for classes of complex electronic and structural materials provided a testbed for nonlinear science, while nonlinear and nonequilibrium techniques helped advance our understanding of the scientific principles underlying the control of material microstructure, their evolution, fundamental to macroscopic functionalities. The project focused on overlapping areas of emerging thrusts and programs in the Los Alamos materials community for which nonlinear and nonequilibrium approaches will have decisive roles and where productive teamwork among elements of modeling, simulations, synthesis, characterization and applications could be anticipated--particularly multiscale and nonequilibrium phenomena, and complex matter in and between fields of soft, hard and biomimetic materials. Principal topics were: (i) Complex organic and inorganic electronic materials, including hard, soft and biomimetic materials, self-assembly processes and photophysics; (ii) Microstructure and evolution in multiscale and hierarchical materials, including dynamic fracture and friction, dislocation and large-scale deformation, metastability, and inhomogeneity; and (iii) Equilibrium and nonequilibrium phases and phase transformations, emphasizing competing interactions, frustration, landscapes, glassy and stochastic dynamics, and energy focusing.

  13. Multiscale macromolecular simulation: role of evolving ensembles.

    PubMed

    Singharoy, A; Joshi, H; Ortoleva, P J

    2012-10-22

    Multiscale analysis provides an algorithm for the efficient simulation of macromolecular assemblies. This algorithm involves the coevolution of a quasiequilibrium probability density of atomic configurations and the Langevin dynamics of spatial coarse-grained variables denoted order parameters (OPs) characterizing nanoscale system features. In practice, implementation of the probability density involves the generation of constant OP ensembles of atomic configurations. Such ensembles are used to construct thermal forces and diffusion factors that mediate the stochastic OP dynamics. Generation of all-atom ensembles at every Langevin time step is computationally expensive. Here, multiscale computation for macromolecular systems is made more efficient by a method that self-consistently folds in ensembles of all-atom configurations constructed in an earlier step, history, of the Langevin evolution. This procedure accounts for the temporal evolution of these ensembles, accurately providing thermal forces and diffusions. It is shown that efficiency and accuracy of the OP-based simulations is increased via the integration of this historical information. Accuracy improves with the square root of the number of historical timesteps included in the calculation. As a result, CPU usage can be decreased by a factor of 3-8 without loss of accuracy. The algorithm is implemented into our existing force-field based multiscale simulation platform and demonstrated via the structural dynamics of viral capsomers.

  14. SCM Paste Samples Exposed To Aggressive Solutions. Cementitious Barriers Partnership

    SciTech Connect

    Foster, T.

    2014-12-01

    This report summarizes experimental work performed by SIMCO Technologies Inc. (SIMCO) as part of the Cementitious Barriers Partnership (CBP) project. The test series followed an experimental program dedicated to the study of ordinary Portland cement (OPC) hydrated cement pastes exposed to aggressive solutions. In the present study, the scope is extended to hydrated cement pastes incorporating supplementary cementitious materials (SCM) such as fly ash and ground granulated blast furnace slag (GGBFS). Also, the range of aggressive contact solutions was expanded. The experimental program aimed at testing aggressive contact solutions that more closely mimic the chemical composition of saltstone pore solution. Five different solutions, some of which incorporated high levels of carbonate and nitrate, were placed in contact with four different hydrated cement paste mixes. In all solutions, 150 mmol/L of SO42– (14 400 ppm) were present. The solutions included different pH conditions and different sodium content. Two paste mixes were equivalent to Vault 1/4 and Vault 2 concrete mixes used at SRS in storage structures. Two additional paste mixes, cast at the same water-to-cement ratio and using the same cements but without SCMs, were also tested. The damage evolution in samples was monitored using ultrasonic pulse velocity (UPV) and mass measurements. After three and twelve months of exposure conditions, samples were taken out of solution containers and analyzed to perform migration tests and porosity measurements. Globally, results were in line with the previous study and confirmed that high pH may limit the formation of some deleterious phases like gypsum. In this case, ettringite may form but is not necessarily associated with damage. However, the high concentration of sodium may be associated with the formation of an AFm-like mineral called U-phase. The most significant evidences of damage were all associated with the Vault 2 paste analog. This

  15. Preliminary study on improvement of cementitious grout thermal conductivity for geothermal heat pump applications

    SciTech Connect

    Allan, M.L.

    1996-06-01

    Preliminary studies were preformed to determine whether thermal conductivity of cementitious grouts used to backfill heat exchanger loops for geothermal heat pumps could be improved, thus improving efficiency. Grouts containing selected additives were compares with conventional bentonite and cement grouts. Significant enhancement of grout alumina grit, steel fibers, and silicon carbide increased the thermal conductivity when compared to unfilled, high solids bentonite grouts and conventional cement grouts. Furthermore, the developed grouts retained high thermal conductivity in the dry state, where as conventional bentonite and cement grouts tend to act as insulators if moisture is lost. The cementitious grouts studied can be mixed and placed using conventional grouting equipment.

  16. Method for characterization of the rate of movement of an oxidation front in cementitious materials

    DOEpatents

    Almond, Philip M.; Langton, Christine A.; Stefanko, David B.

    2016-03-01

    Disclosed are methods for determining the redox condition of cementitious materials. The methods are leaching methods that utilize a redox active transition metal indicator that is present in the cementitious material and exhibits variable solubility depending upon the oxidation state of the indicator. When the leaching process is carried out under anaerobic conditions, the presence or absence of the indicator in the leachate can be utilized to determine the redox condition of and location of the oxidation front in the material that has been subjected to the leaching process.

  17. Cementitious building material incorporating end-capped polyethylene glycol as a phase change material

    DOEpatents

    Salyer, Ival O.; Griffen, Charles W.

    1986-01-01

    A cementitious composition comprising a cementitious material and polyethylene glycol or end-capped polyethylene glycol as a phase change material, said polyethylene glycol and said end-capped polyethylene glycol having a molecular weight greater than about 400 and a heat of fusion greater than about 30 cal/g; the compositions are useful in making pre-formed building materials such as concrete blocks, brick, dry wall and the like or in making poured structures such as walls or floor pads; the glycols can be encapsulated to reduce their tendency to retard set.

  18. Timing of Getter Material Addition in Cementitious Wasteforms

    NASA Astrophysics Data System (ADS)

    Lawter, A.; Qafoku, N. P.; Asmussen, M.; Neeway, J.; Smith, G. L.

    2015-12-01

    A cementitious waste form, Cast Stone, is being evaluated as a possible supplemental immobilization technology for the Hanford sites's low activity waste (LAW), which contains radioactive 99Tc and 129I, as part of the tank waste cleanup mission. Cast Stone is made of a dry blend 47% blast furnace slag, 45% fly ash, and 8% ordinary Portland cement, mixed with a low-activity waste (LAW). To improve the retention of Tc and/or I in Cast Stone, materials with a high affinity for Tc and/or I, termed "getters," can be added to provide a stable domain for the radionuclides of concern. Previous testing conducted with a variety of getters has identified Tin(II)-Apatite and Silver Exchanged Zeolite as promising candidates for Tc and I, respectively. Investigation into the sequence in which getters are added to Cast Stone was performed following two methods: 1) adding getters to the Cast Stone dry blend, and then mixing with liquid waste, and 2) adding getters to the liquid waste first, followed by addition of the Cast Stone dry blend. Cast Stone monolith samples were prepared with each method and leach tests, following EPA method 1315, were conducted in either distilled water or simulated vadose zone porewater for a period of up to 63 days. The leachate was analyzed for Tc, I, Na, NO3-, NO2- and Cr with ICP-MS, ICP-OES and ion chromatography and the results indicated that the Cast Stone with getter addition in the dry blend mix (method 1) has lower rates of Tc and I leaching. The mechanisms of radionuclide release from the Cast Stone were also investigated with a variety of solid phase characterization techniques of the monoliths before and after leaching, such as XRD, SEM/EDS, TEM/SAED and other spectroscopic techniques.

  19. Mechanical resilience and cementitious processes in Imperial Roman architectural mortar.

    PubMed

    Jackson, Marie D; Landis, Eric N; Brune, Philip F; Vitti, Massimo; Chen, Heng; Li, Qinfei; Kunz, Martin; Wenk, Hans-Rudolf; Monteiro, Paulo J M; Ingraffea, Anthony R

    2014-12-30

    The pyroclastic aggregate concrete of Trajan's Markets (110 CE), now Museo Fori Imperiali in Rome, has absorbed energy from seismic ground shaking and long-term foundation settlement for nearly two millenia while remaining largely intact at the structural scale. The scientific basis of this exceptional service record is explored through computed tomography of fracture surfaces and synchroton X-ray microdiffraction analyses of a reproduction of the standardized hydrated lime-volcanic ash mortar that binds decimeter-sized tuff and brick aggregate in the conglomeratic concrete. The mortar reproduction gains fracture toughness over 180 d through progressive coalescence of calcium-aluminum-silicate-hydrate (C-A-S-H) cementing binder with Ca/(Si+Al) ≈ 0.8-0.9 and crystallization of strätlingite and siliceous hydrogarnet (katoite) at ≥ 90 d, after pozzolanic consumption of hydrated lime was complete. Platey strätlingite crystals toughen interfacial zones along scoria perimeters and impede macroscale propagation of crack segments. In the 1,900-y-old mortar, C-A-S-H has low Ca/(Si+Al) ≈ 0.45-0.75. Dense clusters of 2- to 30-µm strätlingite plates further reinforce interfacial zones, the weakest link of modern cement-based concrete, and the cementitious matrix. These crystals formed during long-term autogeneous reaction of dissolved calcite from lime and the alkali-rich scoriae groundmass, clay mineral (halloysite), and zeolite (phillipsite and chabazite) surface textures from the Pozzolane Rosse pyroclastic flow, erupted from the nearby Alban Hills volcano. The clast-supported conglomeratic fabric of the concrete presents further resistance to fracture propagation at the structural scale.

  20. Design of engineered cementitious composites for ductile seismic resistant elements

    NASA Astrophysics Data System (ADS)

    Kanda, Tetsushi

    This dissertation focuses on designing Engineered Cementitious Composite (ECC) to achieve high performance seismic resistant elements. To attain this goal, three major tasks have been accomplished. Task 1 aims at achieving new ECCs involving low cost fiber, which often involve fiber rupture in crack bridging, thus named as "Fiber Rupture Type ECC". Achieving the new ECC requires a new practical and comprehensive composite design theory. For this theory, single fiber behavior was first investigated. Specifically, fiber rupture in composite and chemical bond in fiber/matrix interface were experimentally examined and mathematically modeled. Then this model for single fiber behavior was implemented into a proposed bridging law, a theoretical model for relationship between fiber bridging stress of composite and Crack Opening Displacement (COD). This new bridging law was finally employed to establish a new composite design theory. Task 2 was initiated to facilitate structural interpretation of ECC's material behavior investigated in Task 1. For this purpose, uniaxial tensile behavior, one of the most important ECC's properties, was theoretically characterized with stress-strain relation from micromechanics view point. As a result, a theory is proposed to express ECC's tensile stress-strain relation in terms of micromechanics parameters of composites, such as bond strengths. Task 3 primarily demonstrates an integrated design scheme for ductile seismic elements that covers from micromechanics in single fiber level to structural design tool, such as with non-linear FEM analysis. The significance of this design scheme is that the influences of ECC's microstructure on element's structural performance is quantitatively captured. This means that a powerful tool is obtained for tailoring constitutive micromechanics parameters in order to maximize structural performance of elements. While the tool is still preliminary, completing this tool in future studies will enable one to

  1. Bond strength of cementitious borehole plugs in welded tuff

    SciTech Connect

    Akgun, H.; Daemen, J.J.K.

    1991-02-01

    Axial loads on plugs or seals in an underground repository due to gas, water pressures and temperature changes induced subsequent to waste and plug emplacement lead to shear stresses at the plug/rock contact. Therefore, the bond between the plug and rock is a critical element for the design and effectiveness of plugs in boreholes, shafts or tunnels. This study includes a systematic investigation of the bond strength of cementitious borehole plugs in welded tuff. Analytical and numerical analysis of borehole plug-rock stress transfer mechanics is performed. The interface strength and deformation are studied as a function of Young`s modulus ratio of plug and rock, plug length and rock cylinder outside-to-inside radius ratio. The tensile stresses in and near an axially loaded plug are analyzed. The frictional interface strength of an axially loaded borehole plug, the effect of axial stress and lateral external stress, and thermal effects are also analyzed. Implications for plug design are discussed. The main conclusion is a strong recommendation to design friction plugs in shafts, drifts, tunnels or boreholes with a minimum length to diameter ratio of four. Such a geometrical design will reduce tensile stresses in the plug and in the host rock to a level which should minimize the risk of long-term deterioration caused by excessive tensile stresses. Push-out tests have been used to determine the bond strength by applying an axial load to cement plugs emplaced in boreholes in welded tuff cylinders. A total of 130 push-out tests have been performed as a function of borehole size, plug length, temperature, and degree of saturation of the host tuff. The use of four different borehole radii enables evaluation of size effects. 119 refs., 42 figs., 20 tabs.

  2. Waste E-glass particles used in cementitious mixtures

    SciTech Connect

    Chen, C.H.; Huang, R. . E-mail: ranhuang@mail.ntou.edu.tw; Wu, J.K.; Yang, C.C.

    2006-03-15

    The properties of concretes containing various waste E-glass particle contents were investigated in this study. Waste E-glass particles were obtained from electronic grade glass yarn scrap by grinding to small particle size. The size distribution of cylindrical glass particle was from 38 to 300 {mu}m and about 40% of E-glass particle was less than 150 {mu}m. The E-glass mainly consists of SiO{sub 2}, Al{sub 2}O{sub 3}, Ca O and MgO, and is indicated as amorphous by X-ray diffraction (XRD) technique. Compressive strength and resistance of sulfate attack and chloride ion penetration were significantly improved by utilizing proper amount of waste E-glass in concrete. The compressive strength of specimen with 40 wt.% E-glass content was 17%, 27% and 43% higher than that of control specimen at age of 28, 91 and 365 days, respectively. E-glass can be used in concrete as cementitious material as well as inert filler, which depending upon the particle size, and the dividing size appears to be 75 {mu}m. The workability decreased as the glass content increased due to reduction of fineness modulus, and the addition of high-range water reducers was needed to obtain a uniform mix. Little difference was observed in ASR testing results between control and E-glass specimens. Based on the properties of hardened concrete, optimum E-glass content was found to be 40-50 wt.%.

  3. Mechanisms of cementitious material deterioration in biogas digester.

    PubMed

    Voegel, C; Bertron, A; Erable, B

    2016-11-15

    Digesters produce biogas from organic wastes through anaerobic digestion processes. These digesters, often made of concrete, suffer severe premature deterioration caused mainly by the presence of fermentative microorganisms producing metabolites that are aggressive towards cementitious materials. To clarify the degradation mechanisms in an anaerobic digestion medium, ordinary Portland cement paste specimens were immersed in the liquid fraction of a running, lab-scale digester for 4weeks. The anaerobic digestion medium was a mixture of a biowaste substrate and sludge from municipal wastewater treatment plant used as a source of anaerobic bacteria. The chemical characteristics of the anaerobic digestion liquid phase were monitored over time using a pH metre, high performance liquid chromatography (HPLC) and ion chromatography (HPIC). An initial critical period of low pH in the bioreactors was observed before the pH stabilized around 8. Acetic, propionic and butyric acids were produced during the digestion with a maximum total organic acid concentration of 50mmolL(-1). The maximum ammonium content of the liquid phase was 40mmolL(-1), which was about seven times the upper limit of the highly aggressive chemical environment class (XA3) as defined by the European standard for the specification of concrete design in chemically aggressive environments (EN 206). The changes in the mineralogical, microstructural and chemical characteristics of the cement pastes exposed to the solid and liquid phase of the digesters were analysed at the end of the immersion period by X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectrometry (EDS) and electron-probe micro-analysis (EPMA). A 700-μm thick altered layer was identified in the cement paste specimens. The main biodeterioration patterns in the bioreactors' solid/liquid phase were calcium leaching and carbonation of the cement matrix.

  4. Mechanical resilience and cementitious processes in Imperial Roman architectural mortar

    SciTech Connect

    Jackson, Marie D.; Landis, Eric N.; Brune, Philip F.; Vitti, Massimo; Chen, Heng; Li, Qinfei; Kunz, Martin; Wenk, Hans -Rudolf; Monteiro, Paulo J. M.; Ingraffea, Anthony R.

    2014-12-15

    The pyroclastic aggregate concrete of Trajan’s Markets (110 CE), now Museo Fori Imperiali in Rome, has absorbed energy from seismic ground shaking and long-term foundation settlement for nearly two millenia while remaining largely intact at the structural scale. The scientific basis of this exceptional service record is explored through computed tomography of fracture surfaces and synchroton X-ray microdiffraction analyses of a reproduction of the standardized hydrated lime–volcanic ash mortar that binds decimeter-sized tuff and brick aggregate in the conglomeratic concrete. The mortar reproduction gains fracture toughness over 180 d through progressive coalescence of calcium–aluminum-silicate–hydrate (C-A-S-H) cementing binder with Ca/(Si+Al) ≈ 0.8–0.9 and crystallization of strätlingite and siliceous hydrogarnet (katoite) at ≥90 d, after pozzolanic consumption of hydrated lime was complete. Platey strätlingite crystals toughen interfacial zones along scoria perimeters and impede macroscale propagation of crack segments. In the 1,900 year old mortar, C-A-S-H has low Ca/(Si+Al) ≈ 0.45–0.75. Dense clusters of 2- to 30-µm strätlingite plates further reinforce interfacial zones, the weakest link of modern cement-based concrete, and the cementitious matrix. These crystals formed during long-term autogeneous reaction of dissolved calcite from lime and the alkali-rich scoriae groundmass, clay mineral (halloysite), and zeolite (phillipsite and chabazite) surface textures from the Pozzolane Rosse pyroclastic flow, erupted from the nearby Alban Hills volcano. The clast-supported conglomeratic fabric of the concrete presents further resistance to fracture propagation at the structural scale.

  5. Mechanical resilience and cementitious processes in Imperial Roman architectural mortar

    DOE PAGESBeta

    Jackson, Marie D.; Landis, Eric N.; Brune, Philip F.; Vitti, Massimo; Chen, Heng; Li, Qinfei; Kunz, Martin; Wenk, Hans -Rudolf; Monteiro, Paulo J. M.; Ingraffea, Anthony R.

    2014-12-15

    The pyroclastic aggregate concrete of Trajan’s Markets (110 CE), now Museo Fori Imperiali in Rome, has absorbed energy from seismic ground shaking and long-term foundation settlement for nearly two millenia while remaining largely intact at the structural scale. The scientific basis of this exceptional service record is explored through computed tomography of fracture surfaces and synchroton X-ray microdiffraction analyses of a reproduction of the standardized hydrated lime–volcanic ash mortar that binds decimeter-sized tuff and brick aggregate in the conglomeratic concrete. The mortar reproduction gains fracture toughness over 180 d through progressive coalescence of calcium–aluminum-silicate–hydrate (C-A-S-H) cementing binder with Ca/(Si+Al) ≈more » 0.8–0.9 and crystallization of strätlingite and siliceous hydrogarnet (katoite) at ≥90 d, after pozzolanic consumption of hydrated lime was complete. Platey strätlingite crystals toughen interfacial zones along scoria perimeters and impede macroscale propagation of crack segments. In the 1,900 year old mortar, C-A-S-H has low Ca/(Si+Al) ≈ 0.45–0.75. Dense clusters of 2- to 30-µm strätlingite plates further reinforce interfacial zones, the weakest link of modern cement-based concrete, and the cementitious matrix. These crystals formed during long-term autogeneous reaction of dissolved calcite from lime and the alkali-rich scoriae groundmass, clay mineral (halloysite), and zeolite (phillipsite and chabazite) surface textures from the Pozzolane Rosse pyroclastic flow, erupted from the nearby Alban Hills volcano. The clast-supported conglomeratic fabric of the concrete presents further resistance to fracture propagation at the structural scale.« less

  6. Mechanical resilience and cementitious processes in Imperial Roman architectural mortar.

    PubMed

    Jackson, Marie D; Landis, Eric N; Brune, Philip F; Vitti, Massimo; Chen, Heng; Li, Qinfei; Kunz, Martin; Wenk, Hans-Rudolf; Monteiro, Paulo J M; Ingraffea, Anthony R

    2014-12-30

    The pyroclastic aggregate concrete of Trajan's Markets (110 CE), now Museo Fori Imperiali in Rome, has absorbed energy from seismic ground shaking and long-term foundation settlement for nearly two millenia while remaining largely intact at the structural scale. The scientific basis of this exceptional service record is explored through computed tomography of fracture surfaces and synchroton X-ray microdiffraction analyses of a reproduction of the standardized hydrated lime-volcanic ash mortar that binds decimeter-sized tuff and brick aggregate in the conglomeratic concrete. The mortar reproduction gains fracture toughness over 180 d through progressive coalescence of calcium-aluminum-silicate-hydrate (C-A-S-H) cementing binder with Ca/(Si+Al) ≈ 0.8-0.9 and crystallization of strätlingite and siliceous hydrogarnet (katoite) at ≥ 90 d, after pozzolanic consumption of hydrated lime was complete. Platey strätlingite crystals toughen interfacial zones along scoria perimeters and impede macroscale propagation of crack segments. In the 1,900-y-old mortar, C-A-S-H has low Ca/(Si+Al) ≈ 0.45-0.75. Dense clusters of 2- to 30-µm strätlingite plates further reinforce interfacial zones, the weakest link of modern cement-based concrete, and the cementitious matrix. These crystals formed during long-term autogeneous reaction of dissolved calcite from lime and the alkali-rich scoriae groundmass, clay mineral (halloysite), and zeolite (phillipsite and chabazite) surface textures from the Pozzolane Rosse pyroclastic flow, erupted from the nearby Alban Hills volcano. The clast-supported conglomeratic fabric of the concrete presents further resistance to fracture propagation at the structural scale. PMID:25512521

  7. Mechanical resilience and cementitious processes in Imperial Roman architectural mortar

    PubMed Central

    Landis, Eric N.; Brune, Philip F.; Vitti, Massimo; Chen, Heng; Li, Qinfei; Kunz, Martin; Wenk, Hans-Rudolf; Monteiro, Paulo J. M.; Ingraffea, Anthony R.

    2014-01-01

    The pyroclastic aggregate concrete of Trajan’s Markets (110 CE), now Museo Fori Imperiali in Rome, has absorbed energy from seismic ground shaking and long-term foundation settlement for nearly two millenia while remaining largely intact at the structural scale. The scientific basis of this exceptional service record is explored through computed tomography of fracture surfaces and synchroton X-ray microdiffraction analyses of a reproduction of the standardized hydrated lime–volcanic ash mortar that binds decimeter-sized tuff and brick aggregate in the conglomeratic concrete. The mortar reproduction gains fracture toughness over 180 d through progressive coalescence of calcium–aluminum-silicate–hydrate (C-A-S-H) cementing binder with Ca/(Si+Al) ≈ 0.8–0.9 and crystallization of strätlingite and siliceous hydrogarnet (katoite) at ≥90 d, after pozzolanic consumption of hydrated lime was complete. Platey strätlingite crystals toughen interfacial zones along scoria perimeters and impede macroscale propagation of crack segments. In the 1,900-y-old mortar, C-A-S-H has low Ca/(Si+Al) ≈ 0.45–0.75. Dense clusters of 2- to 30-µm strätlingite plates further reinforce interfacial zones, the weakest link of modern cement-based concrete, and the cementitious matrix. These crystals formed during long-term autogeneous reaction of dissolved calcite from lime and the alkali-rich scoriae groundmass, clay mineral (halloysite), and zeolite (phillipsite and chabazite) surface textures from the Pozzolane Rosse pyroclastic flow, erupted from the nearby Alban Hills volcano. The clast-supported conglomeratic fabric of the concrete presents further resistance to fracture propagation at the structural scale. PMID:25512521

  8. Mechanisms of cementitious material deterioration in biogas digester.

    PubMed

    Voegel, C; Bertron, A; Erable, B

    2016-11-15

    Digesters produce biogas from organic wastes through anaerobic digestion processes. These digesters, often made of concrete, suffer severe premature deterioration caused mainly by the presence of fermentative microorganisms producing metabolites that are aggressive towards cementitious materials. To clarify the degradation mechanisms in an anaerobic digestion medium, ordinary Portland cement paste specimens were immersed in the liquid fraction of a running, lab-scale digester for 4weeks. The anaerobic digestion medium was a mixture of a biowaste substrate and sludge from municipal wastewater treatment plant used as a source of anaerobic bacteria. The chemical characteristics of the anaerobic digestion liquid phase were monitored over time using a pH metre, high performance liquid chromatography (HPLC) and ion chromatography (HPIC). An initial critical period of low pH in the bioreactors was observed before the pH stabilized around 8. Acetic, propionic and butyric acids were produced during the digestion with a maximum total organic acid concentration of 50mmolL(-1). The maximum ammonium content of the liquid phase was 40mmolL(-1), which was about seven times the upper limit of the highly aggressive chemical environment class (XA3) as defined by the European standard for the specification of concrete design in chemically aggressive environments (EN 206). The changes in the mineralogical, microstructural and chemical characteristics of the cement pastes exposed to the solid and liquid phase of the digesters were analysed at the end of the immersion period by X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectrometry (EDS) and electron-probe micro-analysis (EPMA). A 700-μm thick altered layer was identified in the cement paste specimens. The main biodeterioration patterns in the bioreactors' solid/liquid phase were calcium leaching and carbonation of the cement matrix. PMID:27432729

  9. PARTNERSHIP FOR THE DEVELOPMENT OF NEXT GENERATION SIMULATION TOOLS TO EVALUATE CEMENTITIOUS BARRIERS AND MATERIALS USED IN NUCLEAR APPLICATION - 8388

    SciTech Connect

    Langton, C; Richard Dimenna, R

    2008-01-29

    The US DOE has initiated a multidisciplinary cross cutting project to develop a reasonable and credible set of tools to predict the structural, hydraulic and chemical performance of cement barriers used in nuclear applications over extended time frames (e.g., > 100 years for operating facilities and > 1000 years for waste management). A partnership that combines DOE, NRC, academia, private sector, and international expertise has been formed to accomplish the project objectives by integrating existing information and realizing advancements where necessary. The set of simulation tools and data developed under this project will be used to evaluate and predict the behavior of cementitious barriers used in near surface engineered waste disposal systems, e.g., waste forms, containment structures, entombments and environmental remediation, including decontamination and decommissioning (D&D) activities. The simulation tools will also support analysis of structural concrete components of nuclear facilities (spent fuel pools, dry spent fuel storage units, and recycling facilities, e.g., fuel fabrication, separations processes). Simulation parameters will be obtained from prior literature and will be experimentally measured under this project, as necessary, to demonstrate application of the simulation tools for three prototype applications (waste form in concrete vault, high level waste tank grouting, and spent fuel pool). Test methods and data needs to support use of the simulation tools for future applications will be defined. This is a national issue that affects all waste disposal sites that use cementitious waste forms and structures, decontamination and decommissioning activities, service life determination of existing structures, and design of future public and private nuclear facilities. The problem is difficult because it requires projecting conditions and responses over extremely long times. Current performance assessment analyses show that engineered barriers are

  10. The evolution of clay rock/cement interfaces in a cementitious repository for low- and intermediate level radioactive waste

    NASA Astrophysics Data System (ADS)

    Kosakowski, Georg; Berner, Urs

    In Switzerland, deep geological storage in clay rich host rocks is the preferred option for low- and intermediate-level radioactive waste. For these waste types cementitious materials are used for tunnel support and backfill, waste containers and waste matrixes. The different geochemical characteristics of clay and cementitious materials may induce mineralogical and pore water changes which might affect the barrier functionality of host rocks and concretes. We present numerical reactive transport calculations that systematically compare the geochemical evolution at cement/clay interfaces for the proposed host rocks in Switzerland for different transport scenarios. We developed a consistent set of thermodynamic data, simultaneously valid for cementitious (concrete) and clay materials. With our setup we successfully reproduced mineralogies, water contents and pore water compositions of the proposed host rocks and of a reference concrete. Our calculations show that the effects of geochemical gradients between concrete and clay materials are very similar for all investigated host rocks. The mineralogical changes at material interfaces are restricted to narrow zones for all host rocks. The extent of strong pH increase in the host rocks is limited, although a slight increase of pH over greater distances seems possible in advective transport scenarios. Our diffusive and partially also the advective calculations show massive porosity changes due to precipitation/dissolution of mineral phases near the interface, in line with many other reported transport calculations on cement/clay interactions. For all investigated transport scenarios the degradation of concrete materials in emplacement caverns due to diffusive and advective transport of clay pore water into the caverns is limited to narrow zones. A specific effort has been made to improve the geochemical setup and the extensive use of solid solution phases demonstrated the successful application of a thermodynamically

  11. Multi-scale First-Principles Modeling of Three-Phase System of Polymer Electrolyte Membrane Fuel Cel

    SciTech Connect

    Brunello, Giuseppe; Choi, Ji; Harvey, David; Jang, Seung

    2012-07-01

    The three-phase system consisting of Nafion, graphite and platinum in the presence of water is studied using molecule dynamics simulation. The force fields describing the molecular interaction between the components in the system are developed to reproduce the energies calculated from density functional theory modeling. The configuration of such complicated three-phase system is predicted through MD simulations. The nanophase-segregation and transport properties are investigated from the equilibrium state. The coverage of the electrolyte on the platinum surface and the dissolution of oxygen are analyzed.

  12. Taylor-Aris Dispersion: An Explicit Example for Understanding Multiscale Analysis via Volume Averaging

    ERIC Educational Resources Information Center

    Wood, Brian D.

    2009-01-01

    Although the multiscale structure of many important processes in engineering is becoming more widely acknowledged, making this connection in the classroom is a difficult task. This is due in part because the concept of multiscale structure itself is challenging and it requires the students to develop new conceptual pictures of physical systems,…

  13. Performance and diagnostic evaluation of ozone predictions by the Eta-Community Multiscale Air Quality Forecast System during the 2002 New England Air Quality Study.

    PubMed

    Yu, Shaocai; Mathur, Rohit; Kang, Daiwen; Schere, Kenneth; Eder, Brian; Pleim, Jonathan

    2006-10-01

    A real-time air quality forecasting system (Eta-Community Multiscale Air Quality [CMAQ] model suite) has been developed by linking the National Centers for Environmental Estimation Eta model to the U.S. Environmental Protection Agency (EPA) CMAQ model. This work presents results from the application of the Eta-CMAQ modeling system for forecasting ozone (O3) over the Northeastern United States during the 2002 New England Air Quality Study (NEAQS). Spatial and temporal performance of the Eta-CMAQ model for O3 was evaluated by comparison with observations from the EPA Air Quality System (AQS) network. This study also examines the ability of the model to simulate the processes governing the distributions of tropospheric O3 on the basis of the intensive datasets obtained at the four Atmospheric Investigation, Regional Modeling, Analysis, and Estimation (AIRMAP) and Harvard Forest (HF) surface sites. The episode analysis reveals that the model captured the buildup of O3 concentrations over the northeastern domain from August 11 and reproduced the spatial distributions of observed O3 very well for the daytime (8:00 p.m.) of both August 8 and 12 with most of normalized mean bias (NMB) within +/- 20%. The model reproduced 53.3% of the observed hourly O3 within a factor of 1.5 with NMB of 29.7% and normalized mean error of 46.9% at the 342 AQS sites. The comparison of modeled and observed lidar O3 vertical profiles shows that whereas the model reproduced the observed vertical structure, it tended to overestimate at higher altitude. The model reproduced 64-77% of observed NO2 photolysis rate values within a factor of 1.5 at the AIRMAP sites. At the HF site, comparison of modeled and observed O3/nitrogen oxide (NOx) ratios suggests that the site is mainly under strongly NOx-sensitive conditions (>53%). It was found that the modeled lower limits of the O3 production efficiency values (inferred from O3-CO correlation) are close to the observations.

  14. Performance and diagnostic evaluation of ozone predictions by the Eta-Community Multiscale Air Quality Forecast System during the 2002 New England Air Quality Study.

    PubMed

    Yu, Shaocai; Mathur, Rohit; Kang, Daiwen; Schere, Kenneth; Eder, Brian; Pleim, Jonathan

    2006-10-01

    A real-time air quality forecasting system (Eta-Community Multiscale Air Quality [CMAQ] model suite) has been developed by linking the National Centers for Environmental Estimation Eta model to the U.S. Environmental Protection Agency (EPA) CMAQ model. This work presents results from the application of the Eta-CMAQ modeling system for forecasting ozone (O3) over the Northeastern United States during the 2002 New England Air Quality Study (NEAQS). Spatial and temporal performance of the Eta-CMAQ model for O3 was evaluated by comparison with observations from the EPA Air Quality System (AQS) network. This study also examines the ability of the model to simulate the processes governing the distributions of tropospheric O3 on the basis of the intensive datasets obtained at the four Atmospheric Investigation, Regional Modeling, Analysis, and Estimation (AIRMAP) and Harvard Forest (HF) surface sites. The episode analysis reveals that the model captured the buildup of O3 concentrations over the northeastern domain from August 11 and reproduced the spatial distributions of observed O3 very well for the daytime (8:00 p.m.) of both August 8 and 12 with most of normalized mean bias (NMB) within +/- 20%. The model reproduced 53.3% of the observed hourly O3 within a factor of 1.5 with NMB of 29.7% and normalized mean error of 46.9% at the 342 AQS sites. The comparison of modeled and observed lidar O3 vertical profiles shows that whereas the model reproduced the observed vertical structure, it tended to overestimate at higher altitude. The model reproduced 64-77% of observed NO2 photolysis rate values within a factor of 1.5 at the AIRMAP sites. At the HF site, comparison of modeled and observed O3/nitrogen oxide (NOx) ratios suggests that the site is mainly under strongly NOx-sensitive conditions (>53%). It was found that the modeled lower limits of the O3 production efficiency values (inferred from O3-CO correlation) are close to the observations. PMID:17063868

  15. Multiscale Models of Breast Cancer Progression

    PubMed Central

    Chakrabarti, Anirikh; Verbridge, Scott; Stroock, Abraham D.; Fischbach, Claudia; Varner, Jeffrey D.

    2013-01-01

    Breast cancer initiation, invasion and metastasis span multiple length and time scales. Molecular events at short length scales lead to an initial tumorigenic population, which left unchecked by immune action, acts at increasingly longer length scales until eventually the cancer cells escape from the primary tumor site. This series of events is highly complex, involving multiple cell types interacting with (and shaping) the microenvironment. Multiscale mathematical models have emerged as a powerful tool to quantitatively integrate the convective-diffusion-reaction processes occurring on the systemic scale, with the molecular signaling processes occurring on the cellular and subcellular scales. In this study, we reviewed the current state of the art in cancer modeling across multiple length scales, with an emphasis on the integration of intracellular signal transduction models with pro-tumorigenic chemical and mechanical microenvironmental cues. First, we reviewed the underlying biomolecular origin of breast cancer, with a special emphasis on angiogenesis. Then, we summarized the development of tissue engineering platforms which could provide highfidelity ex vivo experimental models to identify and validate multiscale simulations. Lastly, we reviewed top-down and bottom-up multiscale strategies that integrate subcellular networks with the microenvironment. We present models of a variety of cancers, in addition to breast cancer specific models. Taken together, we expect as the sophistication of the simulations increase, that multiscale modeling and bottom-up agent-based models in particular will become an increasingly important platform technology for basic scientific discovery, as well as the identification and validation of potentially novel therapeutic targets. PMID:23008097

  16. Multiscale Simulation of Microbe Structure and Dynamics

    PubMed Central

    Joshi, Harshad; Singharoy, Abhishek; Sereda, Yuriy V.; Cheluvaraja, Srinath C.; Ortoleva, Peter J.

    2012-01-01

    A multiscale mathematical and computational approach is developed that captures the hierarchical organization of a microbe. It is found that a natural perspective for understanding a microbe is in terms of a hierarchy of variables at various levels of resolution. This hierarchy starts with the N -atom description and terminates with order parameters characterizing a whole microbe. This conceptual framework is used to guide the analysis of the Liouville equation for the probability density of the positions and momenta of the N atoms constituting the microbe and its environment. Using multiscale mathematical techniques, we derive equations for the co-evolution of the order parameters and the probability density of the N-atom state. This approach yields a rigorous way to transfer information between variables on different space-time scales. It elucidates the interplay between equilibrium and far-from-equilibrium processes underlying microbial behavior. It also provides framework for using coarse-grained nanocharacterization data to guide microbial simulation. It enables a methodical search for free-energy minimizing structures, many of which are typically supported by the set of macromolecules and membranes constituting a given microbe. This suite of capabilities provides a natural framework for arriving at a fundamental understanding of microbial behavior, the analysis of nanocharacterization data, and the computer-aided design of nanostructures for biotechnical and medical purposes. Selected features of the methodology are demonstrated using our multiscale bionanosystem simulator DeductiveMultiscaleSimulator. Systems used to demonstrate the approach are structural transitions in the cowpea chlorotic mosaic virus, RNA of satellite tobacco mosaic virus, virus-like particles related to human papillomavirus, and iron-binding protein lactoferrin. PMID:21802438

  17. Engineering Digestion: Multiscale Processes of Food Digestion.

    PubMed

    Bornhorst, Gail M; Gouseti, Ourania; Wickham, Martin S J; Bakalis, Serafim

    2016-03-01

    Food digestion is a complex, multiscale process that has recently become of interest to the food industry due to the developing links between food and health or disease. Food digestion can be studied by using either in vitro or in vivo models, each having certain advantages or disadvantages. The recent interest in food digestion has resulted in a large number of studies in this area, yet few have provided an in-depth, quantitative description of digestion processes. To provide a framework to develop these quantitative comparisons, a summary is given here between digestion processes and parallel unit operations in the food and chemical industry. Characterization parameters and phenomena are suggested for each step of digestion. In addition to the quantitative characterization of digestion processes, the multiscale aspect of digestion must also be considered. In both food systems and the gastrointestinal tract, multiple length scales are involved in food breakdown, mixing, absorption. These different length scales influence digestion processes independently as well as through interrelated mechanisms. To facilitate optimized development of functional food products, a multiscale, engineering approach may be taken to describe food digestion processes. A framework for this approach is described in this review, as well as examples that demonstrate the importance of process characterization as well as the multiple, interrelated length scales in the digestion process.

  18. Engineering Digestion: Multiscale Processes of Food Digestion.

    PubMed

    Bornhorst, Gail M; Gouseti, Ourania; Wickham, Martin S J; Bakalis, Serafim

    2016-03-01

    Food digestion is a complex, multiscale process that has recently become of interest to the food industry due to the developing links between food and health or disease. Food digestion can be studied by using either in vitro or in vivo models, each having certain advantages or disadvantages. The recent interest in food digestion has resulted in a large number of studies in this area, yet few have provided an in-depth, quantitative description of digestion processes. To provide a framework to develop these quantitative comparisons, a summary is given here between digestion processes and parallel unit operations in the food and chemical industry. Characterization parameters and phenomena are suggested for each step of digestion. In addition to the quantitative characterization of digestion processes, the multiscale aspect of digestion must also be considered. In both food systems and the gastrointestinal tract, multiple length scales are involved in food breakdown, mixing, absorption. These different length scales influence digestion processes independently as well as through interrelated mechanisms. To facilitate optimized development of functional food products, a multiscale, engineering approach may be taken to describe food digestion processes. A framework for this approach is described in this review, as well as examples that demonstrate the importance of process characterization as well as the multiple, interrelated length scales in the digestion process. PMID:26799793

  19. Multiscale Modeling in the Clinic: Drug Design and Development.

    PubMed

    Clancy, Colleen E; An, Gary; Cannon, William R; Liu, Yaling; May, Elebeoba E; Ortoleva, Peter; Popel, Aleksander S; Sluka, James P; Su, Jing; Vicini, Paolo; Zhou, Xiaobo; Eckmann, David M

    2016-09-01

    A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multiscale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multiscale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions to guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multiscale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical and computational techniques employed for multiscale modeling approaches used in pharmacometric and systems pharmacology models in drug development and present several examples illustrating the current state-of-the-art models for (1) excitable systems and applications in cardiac disease; (2) stem cell driven complex biosystems; (3) nanoparticle delivery, with applications to angiogenesis and cancer therapy; (4) host-pathogen interactions and their use in metabolic disorders, inflammation and sepsis; and (5) computer-aided design of nanomedical systems. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multiscale models. PMID:26885640

  20. Multiscale Modeling in the Clinic: Drug Design and Development.

    PubMed

    Clancy, Colleen E; An, Gary; Cannon, William R; Liu, Yaling; May, Elebeoba E; Ortoleva, Peter; Popel, Aleksander S; Sluka, James P; Su, Jing; Vicini, Paolo; Zhou, Xiaobo; Eckmann, David M

    2016-09-01

    A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multiscale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multiscale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions to guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multiscale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical and computational techniques employed for multiscale modeling approaches used in pharmacometric and systems pharmacology models in drug development and present several examples illustrating the current state-of-the-art models for (1) excitable systems and applications in cardiac disease; (2) stem cell driven complex biosystems; (3) nanoparticle delivery, with applications to angiogenesis and cancer therapy; (4) host-pathogen interactions and their use in metabolic disorders, inflammation and sepsis; and (5) computer-aided design of nanomedical systems. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multiscale models.

  1. Performance of distributed multiscale simulations

    PubMed Central

    Borgdorff, J.; Ben Belgacem, M.; Bona-Casas, C.; Fazendeiro, L.; Groen, D.; Hoenen, O.; Mizeranschi, A.; Suter, J. L.; Coster, D.; Coveney, P. V.; Dubitzky, W.; Hoekstra, A. G.; Strand, P.; Chopard, B.

    2014-01-01

    Multiscale simulations model phenomena across natural scales using monolithic or component-based code, running on local or distributed resources. In this work, we investigate the performance of distributed multiscale computing of component-based models, guided by six multiscale applications with different characteristics and from several disciplines. Three modes of distributed multiscale computing are identified: supplementing local dependencies with large-scale resources, load distribution over multiple resources, and load balancing of small- and large-scale resources. We find that the first mode has the apparent benefit of increasing simulation speed, and the second mode can increase simulation speed if local resources are limited. Depending on resource reservation and model coupling topology, the third mode may result in a reduction of resource consumption. PMID:24982258

  2. Time-parallel multiscale/multiphysics framework

    SciTech Connect

    Frantziskonis, G.; Muralidharan, Krishna; Deymier, Pierre; Simunovic, Srdjan; Nukala, Phani K; Pannala, Sreekanth

    2009-01-01

    We introduce the time-parallel compound wavelet matrix method (tpCWM) for modeling the temporal evolution of multiscale and multiphysics systems. The method couples time parallel (TP) and CWM methods operating at different spatial and temporal scales. We demonstrate the efficiency of our approach on two examples: a chemical reaction kinetic system and a non-linear predator prey system. Our results indicate that the tpCWM technique is capable of accelerating time-to-solution by 2 3-orders of magnitude and is amenable to efficient parallel implementation.

  3. Effects of alloying and local order in AuNi contacts for Ohmic radio frequency micro electro mechanical systems switches via multi-scale simulation

    NASA Astrophysics Data System (ADS)

    Gaddy, Benjamin E.; Kingon, Angus I.; Irving, Douglas L.

    2013-05-01

    Ohmic RF-MEMS switches hold much promise for low power wireless communication, but long-term degradation currently plagues their reliable use. Failure in these devices occurs at the contact and is complicated by the fact that the same asperities that bear the mechanical load are also important to the flow of electrical current needed for signal processing. Materials selection holds the key to overcoming the barriers that prevent widespread use. Current efforts in materials selection have been based on the material's (or alloy's) ability to resist oxidation as well as its room-temperature properties, such as hardness and electrical conductivity. No ideal solution has yet been found via this route. This may be due, in part, to the fact that the in-use changes to the local environment of the asperity are not included in the selection criteria. For example, Joule heating would be expected to raise the local temperature of the asperity and impose a non-equilibrium thermal gradient in the same region expected to respond to mechanical actuation. We propose that these conditions should be considered in the selection process, as they would be expected to alter mechanical, electrical, and chemical mechanisms in the vicinity of the surface. To this end, we simulate the actuation of an Ohmic radio frequency micro electro mechanical systems switch by using a multi-scale method to model a current-carrying asperity in contact with a polycrystalline substrate. Our method couples continuum solutions of electrical and thermal transport equations to an underlying molecular dynamics simulation. We present simulations of gold-nickel asperities and substrates in order to evaluate the influence of alloying and local order on the early stages of contact actuation. The room temperature response of these materials is compared to the response of the material when a voltage is applied. Au-Ni interactions are accounted for through modification of the existing Zhou embedded atom method

  4. The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes

    PubMed Central

    Vianello, Robert; Domene, Carmen; Mavri, Janez

    2016-01-01

    HIGHLIGHTS Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level.Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place.QM calculations provide valuable information about the enzyme activity, being able to distinguish among several mechanistic pathways, provided a carefully selected cluster model of the enzyme is considered.Multiscale QM/MM simulation is the method of choice for the computational treatment of enzyme reactions offering quantitative agreement with experimentally determined reaction parameters.Molecular simulation provide insight into the mechanism of both the catalytic activity and inhibition of monoamine oxidases, thus aiding in the rational design of their inhibitors that are all employed and antidepressants and antiparkinsonian drugs. Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer's disease, obsessive disorders, and Parkinson's disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological, and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors, and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM, and QM/MM approaches to probe the chemical mechanisms of enzymatic

  5. The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes.

    PubMed

    Vianello, Robert; Domene, Carmen; Mavri, Janez

    2016-01-01

    HIGHLIGHTS Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level.Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place.QM calculations provide valuable information about the enzyme activity, being able to distinguish among several mechanistic pathways, provided a carefully selected cluster model of the enzyme is considered.Multiscale QM/MM simulation is the method of choice for the computational treatment of enzyme reactions offering quantitative agreement with experimentally determined reaction parameters.Molecular simulation provide insight into the mechanism of both the catalytic activity and inhibition of monoamine oxidases, thus aiding in the rational design of their inhibitors that are all employed and antidepressants and antiparkinsonian drugs. Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer's disease, obsessive disorders, and Parkinson's disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological, and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors, and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM, and QM/MM approaches to probe the chemical mechanisms of enzymatic

  6. The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes.

    PubMed

    Vianello, Robert; Domene, Carmen; Mavri, Janez

    2016-01-01

    HIGHLIGHTS Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level.Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place.QM calculations provide valuable information about the enzyme activity, being able to distinguish among several mechanistic pathways, provided a carefully selected cluster model of the enzyme is considered.Multiscale QM/MM simulation is the method of choice for the computational treatment of enzyme reactions offering quantitative agreement with experimentally determined reaction parameters.Molecular simulation provide insight into the mechanism of both the catalytic activity and inhibition of monoamine oxidases, thus aiding in the rational design of their inhibitors that are all employed and antidepressants and antiparkinsonian drugs. Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer's disease, obsessive disorders, and Parkinson's disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological, and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors, and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM, and QM/MM approaches to probe the chemical mechanisms of enzymatic

  7. Sensitivity of the Weather Research and Forecast/Community Multiscale Air Quality modeling system to MODIS LAI, FPAR, and albedo

    NASA Astrophysics Data System (ADS)

    Ran, Limei; Gilliam, Robert; Binkowski, Francis S.; Xiu, Aijun; Pleim, Jonathan; Band, Larry

    2015-08-01

    This study aims to improve land surface processes in a retrospective meteorology and air quality modeling system through the use of Moderate Resolution Imaging Spectroradiometer (MODIS) vegetation and albedo products for more realistic vegetation and surface representation. MODIS leaf area index (LAI), fraction of absorbed photosynthetically active radiation (FPAR), and albedo are incorporated into the Pleim-Xiu land surface model (PX LSM) used in a combined meteorology and air quality modeling system. The current PX LSM intentionally exaggerates vegetation coverage and LAI in western dry lands so that its soil moisture nudging scheme is more effective in simulating surface temperature and mixing ratio. Reduced vegetation coverage from the PX LSM with MODIS input results in hotter and dryer daytime conditions with reduced ozone dry deposition velocities in much of western North America. Evaluations of the new system indicate greater error and bias in temperature, but reduced error and bias in moisture with the MODIS vegetation input. Hotter daytime temperatures and reduced dry deposition result in greater ozone concentrations in the western arid regions even with deeper boundary layer depths. MODIS albedo has much less impact on the meteorology simulations than MODIS LAI and FPAR. The MODIS vegetation and albedo input does not have much influence in the east where differences in vegetation and albedo parameters are less extreme. Evaluation results showing increased temperature errors with more accurate representation of vegetation suggests that improvements are needed in the model surface physics, particularly the soil processes in the PX LSM.

  8. Bio-inspired homogeneous multi-scale place recognition.

    PubMed

    Chen, Zetao; Lowry, Stephanie; Jacobson, Adam; Hasselmo, Michael E; Milford, Michael

    2015-12-01

    Robotic mapping and localization systems typically operate at either one fixed spatial scale, or over two, combining a local metric map and a global topological map. In contrast, recent high profile discoveries in neuroscience have indicated that animals such as rodents navigate the world using multiple parallel maps, with each map encoding the world at a specific spatial scale. While a number of theoretical-only investigations have hypothesized several possible benefits of such a multi-scale mapping system, no one has comprehensively investigated the potential mapping and place recognition performance benefits for navigating robots in large real world environments, especially using more than two homogeneous map scales. In this paper we present a biologically-inspired multi-scale mapping system mimicking the rodent multi-scale map. Unlike hybrid metric-topological multi-scale robot mapping systems, this new system is homogeneous, distinguishable only by scale, like rodent neural maps. We present methods for training each network to learn and recognize places at a specific spatial scale, and techniques for combining the output from each of these parallel networks. This approach differs from traditional probabilistic robotic methods, where place recognition spatial specificity is passively driven by models of sensor uncertainty. Instead we intentionally create parallel learning systems that learn associations between sensory input and the environment at different spatial scales. We also conduct a systematic series of experiments and parameter studies that determine the effect on performance of using different neural map scaling ratios and different numbers of discrete map scales. The results demonstrate that a multi-scale approach universally improves place recognition performance and is capable of producing better than state of the art performance compared to existing robotic navigation algorithms. We analyze the results and discuss the implications with respect to

  9. Bio-inspired homogeneous multi-scale place recognition.

    PubMed

    Chen, Zetao; Lowry, Stephanie; Jacobson, Adam; Hasselmo, Michael E; Milford, Michael

    2015-12-01

    Robotic mapping and localization systems typically operate at either one fixed spatial scale, or over two, combining a local metric map and a global topological map. In contrast, recent high profile discoveries in neuroscience have indicated that animals such as rodents navigate the world using multiple parallel maps, with each map encoding the world at a specific spatial scale. While a number of theoretical-only investigations have hypothesized several possible benefits of such a multi-scale mapping system, no one has comprehensively investigated the potential mapping and place recognition performance benefits for navigating robots in large real world environments, especially using more than two homogeneous map scales. In this paper we present a biologically-inspired multi-scale mapping system mimicking the rodent multi-scale map. Unlike hybrid metric-topological multi-scale robot mapping systems, this new system is homogeneous, distinguishable only by scale, like rodent neural maps. We present methods for training each network to learn and recognize places at a specific spatial scale, and techniques for combining the output from each of these parallel networks. This approach differs from traditional probabilistic robotic methods, where place recognition spatial specificity is passively driven by models of sensor uncertainty. Instead we intentionally create parallel learning systems that learn associations between sensory input and the environment at different spatial scales. We also conduct a systematic series of experiments and parameter studies that determine the effect on performance of using different neural map scaling ratios and different numbers of discrete map scales. The results demonstrate that a multi-scale approach universally improves place recognition performance and is capable of producing better than state of the art performance compared to existing robotic navigation algorithms. We analyze the results and discuss the implications with respect to

  10. MULTISCALE MATHEMATICS FOR BIOMASS CONVERSION TO RENEWABLE HYDROGEN

    SciTech Connect

    Vlachos, Dionisios; Plechac, Petr; Katsoulakis, Markos

    2013-09-05

    The overall objective of this project is to develop multiscale models for understanding and eventually designing complex processes for renewables. To the best of our knowledge, our work is the first attempt at modeling complex reacting systems, whose performance relies on underlying multiscale mathematics. Our specific application lies at the heart of biofuels initiatives of DOE and entails modeling of catalytic systems, to enable economic, environmentally benign, and efficient conversion of biomass into either hydrogen or valuable chemicals. Specific goals include: (i) Development of rigorous spatio-temporal coarse-grained kinetic Monte Carlo (KMC) mathematics and simulation for microscopic processes encountered in biomass transformation. (ii) Development of hybrid multiscale simulation that links stochastic simulation to a deterministic partial differential equation (PDE) model for an entire reactor. (iii) Development of hybrid multiscale simulation that links KMC simulation with quantum density functional theory (DFT) calculations. (iv) Development of parallelization of models of (i)-(iii) to take advantage of Petaflop computing and enable real world applications of complex, multiscale models. In this NCE period, we continued addressing these objectives and completed the proposed work. Main initiatives, key results, and activities are outlined.

  11. Mathematical multi-scale model of the cardiovascular system including mitral valve dynamics. Application to ischemic mitral insufficiency

    PubMed Central

    2011-01-01

    Background Valve dysfunction is a common cardiovascular pathology. Despite significant clinical research, there is little formal study of how valve dysfunction affects overall circulatory dynamics. Validated models would offer the ability to better understand these dynamics and thus optimize diagnosis, as well as surgical and other interventions. Methods A cardiovascular and circulatory system (CVS) model has already been validated in silico, and in several animal model studies. It accounts for valve dynamics using Heaviside functions to simulate a physiologically accurate "open on pressure, close on flow" law. However, it does not consider real-time valve opening dynamics and therefore does not fully capture valve dysfunction, particularly where the dysfunction involves partial closure. This research describes an updated version of this previous closed-loop CVS model that includes the progressive opening of the mitral valve, and is defined over the full cardiac cycle. Results Simulations of the cardiovascular system with healthy mitral valve are performed, and, the global hemodynamic behaviour is studied compared with previously validated results. The error between resulting pressure-volume (PV) loops of already validated CVS model and the new CVS model that includes the progressive opening of the mitral valve is assessed and remains within typical measurement error and variability. Simulations of ischemic mitral insufficiency are also performed. Pressure-Volume loops, transmitral flow evolution and mitral valve aperture area evolution follow reported measurements in shape, amplitude and trends. Conclusions The resulting cardiovascular system model including mitral valve dynamics provides a foundation for clinical validation and the study of valvular dysfunction in vivo. The overall models and results could readily be generalised to other cardiac valves. PMID:21942971

  12. Cementitious Composites Engineered with Embedded Carbon Nanotube Thin Films for Enhanced Sensing Performance

    NASA Astrophysics Data System (ADS)

    Loh, Kenneth J.; Gonzalez, Jesus

    2015-07-01

    Cementitious composites such as concrete pavements are susceptible to different damage modes, which are primarily caused by repeated loading and long-term deterioration. There is even greater concern that damage could worsen and occur more frequently with the use of heavier vehicles or new aircraft carrying greater payloads. Thus, the objective of this research is to engineer cementitious composites with capabilities of self-sensing or detecting damage. The approach was to enhance the damage sensitivity of cementitious composites by incorporating multi-walled carbon nanotubes (MWNT) as part of the mix design and during casting. However, as opposed to directly dispersing MWNTs in the cement matrix, which is the current state-of-art, MWNT-based thin films were airbrushed and coated onto sand particles. The film-coated sand was then used as part of the mix design for casting mortar specimens. Mortar specimens were subjected to compressive cyclic loading tests while their electrical properties were recorded simultaneously. The results showed that the electrical properties of these cementitious composites designed with film-coated sand exhibited extremely high strain sensitivities. The electrical response was also stable and consistent between specimens.

  13. Predicting the Probability of Failure of Cementitious Sewer Pipes Using Stochastic Finite Element Method.

    PubMed

    Alani, Amir M; Faramarzi, Asaad

    2015-06-01

    In this paper, a stochastic finite element method (SFEM) is employed to investigate the probability of failure of cementitious buried sewer pipes subjected to combined effect of corrosion and stresses. A non-linear time-dependant model is used to determine the extent of concrete corrosion. Using the SFEM, the effects of different random variables, including loads, pipe material, and corrosion on the remaining safe life of the cementitious sewer pipes are explored. A numerical example is presented to demonstrate the merit of the proposed SFEM in evaluating the effects of the contributing parameters upon the probability of failure of cementitious sewer pipes. The developed SFEM offers many advantages over traditional probabilistic techniques since it does not use any empirical equations in order to determine failure of pipes. The results of the SFEM can help the concerning industry (e.g., water companies) to better plan their resources by providing accurate prediction for the remaining safe life of cementitious sewer pipes. PMID:26068092

  14. Effect of different dispersants in compressive strength of carbon fiber cementitious composites

    NASA Astrophysics Data System (ADS)

    Lestari, Yulinda; Bahri, Saiful; Sugiarti, Eni; Ramadhan, Gilang; Akbar, Ari Yustisia; Martides, Erie; Khaerudini, Deni S.

    2013-09-01

    Carbon Fiber Cementitious Composites (CFCC) is one of the most important materials in smart concrete applications. CFCC should be able to have the piezoresistivity properties where its resistivity changes when there is applied a stress/strain. It must also have the compressive strength qualification. One of the important additives in carbon fiber cementitious composites is dispersant. Dispersion of carbon fiber is one of the key problems in fabricating piezoresistive carbon fiber cementitious composites. In this research, the uses of dispersants are methylcellulose, mixture of defoamer and methylcellulose and superplasticizer based polycarboxylate. The preparation of composite samples is similar as in the mortar technique according to the ASTM C 109/109M standard. The additives material are PAN type carbon fibers, methylcellulose, defoamer and superplasticizer (as water reducer and dispersant). The experimental testing conducts the compressive strength and resistivity at various curing time, i.e. 3, 7 and 28 days. The results obtained that the highest compressive strength value in is for the mortar using superplasticizer based polycarboxylate dispersant. This also shown that the distribution of carbon fiber with superplasticizer is more effective, since not reacting with the cementitious material which was different from the methylcellulose that creates the cement hydration reaction. The research also found that the CFCC require the proper water cement ratio otherwise the compressive strength becomes lower.

  15. Predicting the Probability of Failure of Cementitious Sewer Pipes Using Stochastic Finite Element Method

    PubMed Central

    Alani, Amir M.; Faramarzi, Asaad

    2015-01-01

    In this paper, a stochastic finite element method (SFEM) is employed to investigate the probability of failure of cementitious buried sewer pipes subjected to combined effect of corrosion and stresses. A non-linear time-dependant model is used to determine the extent of concrete corrosion. Using the SFEM, the effects of different random variables, including loads, pipe material, and corrosion on the remaining safe life of the cementitious sewer pipes are explored. A numerical example is presented to demonstrate the merit of the proposed SFEM in evaluating the effects of the contributing parameters upon the probability of failure of cementitious sewer pipes. The developed SFEM offers many advantages over traditional probabilistic techniques since it does not use any empirical equations in order to determine failure of pipes. The results of the SFEM can help the concerning industry (e.g., water companies) to better plan their resources by providing accurate prediction for the remaining safe life of cementitious sewer pipes. PMID:26068092

  16. Systems pharmacology dissection of multi-scale mechanisms of action for herbal medicines in stroke treatment and prevention.

    PubMed

    Zhang, Jingxiao; Li, Yan; Chen, Xuetong; Pan, Yanqiu; Zhang, Shuwei; Wang, Yonghua

    2014-01-01

    Annually, tens of millions of first-ever strokes occur in the world; however, currently there is lack of effective and widely applicable pharmacological treatments for stroke patients. Herbal medicines, characterized as multi-constituent, multi-target and multi-effect, have been acknowledged with conspicuous effects in treating stroke, and attract extensive interest of researchers although the mechanism of action is yet unclear. In this work, we introduce an innovative systems-pharmacology method that combines pharmacokinetic prescreening, target fishing and network analysis to decipher the mechanisms of action of 10 herbal medicines like Salvia miltiorrhizae, Ginkgo biloba and Ephedrae herba which are efficient in stroke treatment and prevention. Our systematic analysis results display that, in these anti-stroke herbal medicines, 168 out of 1285 constituents with the favorable pharmacokinetic profiles might be implicated in stroke therapy, and the systematic use of these compounds probably acts through multiple mechanisms to synergistically benefit patients with stroke, which can roughly be classified as preventing ischemic inflammatory response, scavenging free radicals and inhibiting neuronal apoptosis against ischemic cerebral damage, as well as exhibiting lipid-lowering, anti-diabetic, anti-thrombotic and antiplatelet effects to decrease recurrent strokes. Relying on systems biology-based analysis, we speculate that herbal medicines, being characterized as the classical combination therapies, might be not only engaged in multiple mechanisms of action to synergistically improve the stroke outcomes, but also might be participated in reducing the risk factors for recurrent strokes.

  17. Systems Pharmacology Dissection of Multi-Scale Mechanisms of Action for Herbal Medicines in Stroke Treatment and Prevention

    PubMed Central

    Zhang, Jingxiao; Li, Yan; Chen, Xuetong; Pan, Yanqiu; Zhang, Shuwei; Wang, Yonghua

    2014-01-01

    Annually, tens of millions of first-ever strokes occur in the world; however, currently there is lack of effective and widely applicable pharmacological treatments for stroke patients. Herbal medicines, characterized as multi-constituent, multi-target and multi-effect, have been acknowledged with conspicuous effects in treating stroke, and attract extensive interest of researchers although the mechanism of action is yet unclear. In this work, we introduce an innovative systems-pharmacology method that combines pharmacokinetic prescreening, target fishing and network analysis to decipher the mechanisms of action of 10 herbal medicines like Salvia miltiorrhizae, Ginkgo biloba and Ephedrae herba which are efficient in stroke treatment and prevention. Our systematic analysis results display that, in these anti-stroke herbal medicines, 168 out of 1285 constituents with the favorable pharmacokinetic profiles might be implicated in stroke therapy, and the systematic use of these compounds probably acts through multiple mechanisms to synergistically benefit patients with stroke, which can roughly be classified as preventing ischemic inflammatory response, scavenging free radicals and inhibiting neuronal apoptosis against ischemic cerebral damage, as well as exhibiting lipid-lowering, anti-diabetic, anti-thrombotic and antiplatelet effects to decrease recurrent strokes. Relying on systems biology-based analysis, we speculate that herbal medicines, being characterized as the classical combination therapies, might be not only engaged in multiple mechanisms of action to synergistically improve the stroke outcomes, but also might be participated in reducing the risk factors for recurrent strokes. PMID:25093322

  18. Environmental Assessment and Monitoring with ICAMS (Image Characterization and Modeling System) Using Multiscale Remote-Sensing Data

    NASA Technical Reports Server (NTRS)

    Lam, N.; Qiu, H.-I.; Quattrochi, Dale A.; Zhao, Wei

    1997-01-01

    With the rapid increase in spatial data, especially in the NASA-EOS (Earth Observing System) era, it is necessary to develop efficient and innovative tools to handle and analyze these data so that environmental conditions can be assessed and monitored. A main difficulty facing geographers and environmental scientists in environmental assessment and measurement is that spatial analytical tools are not easily accessible. We have recently developed a remote sensing/GIS software module called Image Characterization and Modeling System (ICAMS) to provide specialized spatial analytical tools for the measurement and characterization of satellite and other forms of spatial data. ICAMS runs on both the Intergraph-MGE and Arc/info UNIX and Windows-NT platforms. The main techniques in ICAMS include fractal measurement methods, variogram analysis, spatial autocorrelation statistics, textural measures, aggregation techniques, normalized difference vegetation index (NDVI), and delineation of land/water and vegetated/non-vegetated boundaries. In this paper, we demonstrate the main applications of ICAMS on the Intergraph-MGE platform using Landsat Thematic Mapper images from the city of Lake Charles, Louisiana. While the utilities of ICAMS' spatial measurement methods (e.g., fractal indices) in assessing environmental conditions remain to be researched, making the software available to a wider scientific community can permit the techniques in ICAMS to be evaluated and used for a diversity of applications. The findings from these various studies should lead to improved algorithms and more reliable models for environmental assessment and monitoring.

  19. Land use and disturbance interactions in dynamic arid systems: Multiscale remote sensing approaches for monitoring and analyzing riparian vegetation change

    NASA Astrophysics Data System (ADS)

    Villarreal, Miguel L.

    Riparian systems are comprised of interacting aquatic and terrestrial elements that contribute distinctively to the natural capital of arid landscapes. Riparian vegetation is a major component of riparian systems, providing the ecosystem services required to support watershed health. The spatial and temporal distributions of riparian vegetation are influenced by hydrologic and disturbance processes operating at scales from local to regional. I believe both these processes are well suited to monitoring using synoptic and multitemporal approaches. The research in this dissertation is presented as 3 related studies. The first study focused on historical riparian dynamics related to natural disturbance and land use. Using current and historical riparian vegetation maps, we examined vegetation change within catchments of varying land use intensity. Results suggest that land use activities and wastewater subsidy affect the rate of development and diversity of riparian community types. The second study used moderate resolution satellite imagery to monitor changes in riparian structure and pattern within a land cover change framework. We classified Landsat Thematic Mapper satellite imagery of the Upper Santa Cruz River watershed using Classification and Regression Tree (CART) models. We tested the ability of our models to capture change at landscape, floodplain, and catchment scales, centering our change detection efforts on a riparian tree die-off episode and found they can be used to describe both general landscape dynamics and disturbance-related riparian change. The third study examined historical and environmental factors contributing to spatial patterns of vegetation following two riparian tree die-offs. We used high resolution aerial imagery to map locations of individual live and dead trees and collected a suite of environmental variables and historical variables related directly and indirectly to land use and disturbance history. We tested for differences between

  20. The air quality forecast in Beijing with Community Multi-scale Air Quality Modeling (CMAQ) System: model evaluation and improvement

    NASA Astrophysics Data System (ADS)

    Wu, Q.

    2013-12-01

    The MM5-SMOKE-CMAQ model system, which is developed by the United States Environmental Protection Agency(U.S. EPA) as the Models-3 system, has been used for the daily air quality forecast in the Beijing Municipal Environmental Monitoring Center(Beijing MEMC), as a part of the Ensemble Air Quality Forecast System for Beijing(EMS-Beijing) since the Olympic Games year 2008. In this study, we collect the daily forecast results of the CMAQ model in the whole year 2010 for the model evaluation. The results show that the model play a good model performance in most days but underestimate obviously in some air pollution episode. A typical air pollution episode from 11st - 20th January 2010 was chosen, which the air pollution index(API) of particulate matter (PM10) observed by Beijing MEMC reaches to 180 while the prediction of PM10-API is about 100. Taking in account all stations in Beijing, including urban and suburban stations, three numerical methods are used for model improvement: firstly, enhance the inner domain with 4km grids, the coverage from only Beijing to the area including its surrounding cities; secondly, update the Beijing stationary area emission inventory, from statistical county-level to village-town level, that would provide more detail spatial informance for area emissions; thirdly, add some industrial points emission in Beijing's surrounding cities, the latter two are both the improvement of emission. As the result, the peak of the nine national standard stations averaged PM10-API, which is simulated by CMAQ as daily hindcast PM10-API, reach to 160 and much near to the observation. The new results show better model performance, which the correlation coefficent is 0.93 in national standard stations average and 0.84 in all stations, the relative error is 15.7% in national standard stations averaged and 27% in all stations. The time series of 9 national standard in Beijing urban The scatter diagram of all stations in Beijing, the red is the forecast and

  1. Modeling ozone and aerosol formation and transport in the pacific northwest with the community Multi-Scale Air Quality (CMAQ) modeling system.

    PubMed

    O'Neill, Susan M; Lamb, Brian K; Chen, Jack; Claiborn, Candis; Finn, Dennis; Otterson, Sally; Figueroa, Cristiana; Bowman, Clint; Boyer, Mike; Wilson, Rob; Arnold, Jeff; Aalbers, Steven; Stocum, Jeffrey; Swab, Christopher; Stoll, Matt; Dubois, Mike; Anderson, Mary

    2006-02-15

    The Community Multi-Scale Air Quality (CMAQ) modeling system was used to investigate ozone and aerosol concentrations in the Pacific Northwest (PNW) during hot summertime conditions during July 1-15, 1996. Two emission inventories (El) were developed: emissions for the first El were based upon the National Emission Trend 1996 (NET96) database and the BEIS2 biogenic emission model, and emissions for the second El were developed through a "bottom up" approach that included biogenic emissions obtained from the GLOBEIS model. The two simulations showed that elevated PM2.5 concentrations occurred near and downwind of the Interstate-5 corridor along the foothills of the Cascade Mountains and in forested areas of central Idaho. The relative contributions of organic and inorganic aerosols varied by region, but generally organic aerosols constituted the largest fraction of PM2.5. In wilderness areas near the 1-5 corridor, organic carbon from anthropogenic sources contributed approximately 50% of the total organic carbon with the remainder from biogenic precursors, while in wilderness areas in Idaho, biogenic organic carbon accounted for 80% of the total organic aerosol. Regional analysis of the secondary organic aerosol formation in the Columbia River Gorge, Central Idaho, and the Olympics/Puget Sound showed that the production rate of secondary organic carbon depends on local terpene concentrations and the local oxidizing capacity of the atmosphere, which was strongly influenced by anthropogenic emissions. Comparison with observations from 12 IMPROVE sites and 21 ozone monitoring sites showed that results from the two El simulations generally bracketed the average observed PM parameters and that errors calculated for the model results were within acceptable bounds. Analysis across all statistical parameters indicated that the NW-AIRQUEST El solution performed better at predicting PM2.5, PM1, and beta(ext) even though organic carbon PM was over-predicted, and the NET96 El

  2. Modeling ozone and aerosol formation and transport in the pacific northwest with the community Multi-Scale Air Quality (CMAQ) modeling system.

    PubMed

    O'Neill, Susan M; Lamb, Brian K; Chen, Jack; Claiborn, Candis; Finn, Dennis; Otterson, Sally; Figueroa, Cristiana; Bowman, Clint; Boyer, Mike; Wilson, Rob; Arnold, Jeff; Aalbers, Steven; Stocum, Jeffrey; Swab, Christopher; Stoll, Matt; Dubois, Mike; Anderson, Mary

    2006-02-15

    The Community Multi-Scale Air Quality (CMAQ) modeling system was used to investigate ozone and aerosol concentrations in the Pacific Northwest (PNW) during hot summertime conditions during July 1-15, 1996. Two emission inventories (El) were developed: emissions for the first El were based upon the National Emission Trend 1996 (NET96) database and the BEIS2 biogenic emission model, and emissions for the second El were developed through a "bottom up" approach that included biogenic emissions obtained from the GLOBEIS model. The two simulations showed that elevated PM2.5 concentrations occurred near and downwind of the Interstate-5 corridor along the foothills of the Cascade Mountains and in forested areas of central Idaho. The relative contributions of organic and inorganic aerosols varied by region, but generally organic aerosols constituted the largest fraction of PM2.5. In wilderness areas near the 1-5 corridor, organic carbon from anthropogenic sources contributed approximately 50% of the total organic carbon with the remainder from biogenic precursors, while in wilderness areas in Idaho, biogenic organic carbon accounted for 80% of the total organic aerosol. Regional analysis of the secondary organic aerosol formation in the Columbia River Gorge, Central Idaho, and the Olympics/Puget Sound showed that the production rate of secondary organic carbon depends on local terpene concentrations and the local oxidizing capacity of the atmosphere, which was strongly influenced by anthropogenic emissions. Comparison with observations from 12 IMPROVE sites and 21 ozone monitoring sites showed that results from the two El simulations generally bracketed the average observed PM parameters and that errors calculated for the model results were within acceptable bounds. Analysis across all statistical parameters indicated that the NW-AIRQUEST El solution performed better at predicting PM2.5, PM1, and beta(ext) even though organic carbon PM was over-predicted, and the NET96 El

  3. A phase contrast imaging-interferometer system for detection of multiscale electron density fluctuations on DIII-D

    NASA Astrophysics Data System (ADS)

    Davis, E. M.; Rost, J. C.; Porkolab, M.; Marinoni, A.; Van Zeeland, M. A.

    2016-11-01

    Heterodyne interferometry and phase contrast imaging (PCI) are robust, mature techniques for measuring low-k and high-k electron density fluctuations, respectively. This work describes the first-ever implementation of a combined PCI-interferometer. The combined system uses a single 10.6 μm probe beam, two interference schemes, and two detectors to measure electron density fluctuations at large spatiotemporal bandwidth (10 kHz

  4. Complexity multiscale asynchrony measure and behavior for interacting financial dynamics

    NASA Astrophysics Data System (ADS)

    Yang, Ge; Wang, Jun; Niu, Hongli

    2016-08-01

    A stochastic financial price process is proposed and investigated by the finite-range multitype contact dynamical system, in an attempt to study the nonlinear behaviors of real asset markets. The viruses spreading process in a finite-range multitype system is used to imitate the interacting behaviors of diverse investment attitudes in a financial market, and the empirical research on descriptive statistics and autocorrelation behaviors of return time series is performed for different values of propagation rates. Then the multiscale entropy analysis is adopted to study several different shuffled return series, including the original return series, the corresponding reversal series, the random shuffled series, the volatility shuffled series and the Zipf-type shuffled series. Furthermore, we propose and compare the multiscale cross-sample entropy and its modification algorithm called composite multiscale cross-sample entropy. We apply them to study the asynchrony of pairs of time series under different time scales.

  5. On the Application of Inertial Microfluidics for the Size-Based Separation of Polydisperse Cementitious Particulates

    NASA Astrophysics Data System (ADS)

    Kumar, Aditya; Lewis, Peter; Balonis, Magdalena; Di Carlo, Dino; Sant, Gaurav

    2015-06-01

    The early-age performance of concrete is determined by the properties of the cementitious binder and the evolution of its chemical reactions. The chemical reactivity, and to some extent, the composition of cementitious particles can depend on particle size. Therefore, it is valuable to physically separate cementing minerals into well-defined size classes so that the influences of both particle size and composition on reaction progress can be studied without the confounding effects of a broad particle size distribution. However, conventional particle separation methods (e.g., density fractionation, wet sieving, field-flow extraction, ultrasonification-sedimentation) are time-consuming and cumbersome and result in poor particle yields and size-selectivity, thus, making them unsuitable for processing larger volumes of cementitious powders (on the order of grams). This study applies a novel inertial microfluidics (IMF) based procedure to separate cementitious powders on the basis of their size. Special attention is paid to optimizing operating variables to ensure that particles in a fluid streamline achieve unique equilibrium positions within the device. From such positions, particles can be retrieved as per their size using symmetrical outlet configurations with tuned fluidic resistances. The approach is critically assessed in terms of: (1) its ability to separate cementitious powders into narrow size bins, and therefore its feasibility as a fractionation procedure, and (2) quantitatively relating the operating parameters to the particle yield and size selectivity. The study establishes metrics for assessing the ability of IMF methods to classify minerals and other polydisperse particles on the basis of their size.

  6. Environmental impacts of innovative dairy farming systems aiming at improved internal nutrient cycling: A multi-scale assessment.

    PubMed

    de Vries, W; Kros, J; Dolman, M A; Vellinga, Th V; de Boer, H C; Gerritsen, A L; Sonneveld, M P W; Bouma, J

    2015-12-01

    Several dairy farms in the Netherlands aim at reducing environmental impacts by improving the internal nutrient cycle (INC) on their farm by optimizing the use of available on-farm resources. This study evaluates the environmental performance of selected INC farms in the Northern Friesian Woodlands in comparison to regular benchmark farms using a Life Cycle Assessment. Regular farms were selected on the basis of comparability in terms of milk production per farm and per hectare, soil type and drainage conditions. In addition, the environmental impacts of INC farming at landscape level were evaluated with the integrated modelling system INITIATOR, using spatially explicit input data on animal numbers, land use, agricultural management, meteorology and soil, assuming that all farms practised the principle of INC farming. Impact categories used at both farm and landscape levels were global warming potential, acidification potential and eutrophication potential. Additional farm level indicators were land occupation and non-renewable energy use, and furthermore all farm level indicators were also expressed per kg fat and protein corrected milk. Results showed that both on-farm and off-farm non-renewable energy use was significantly lower at INC farms as compared with regular farms. Although nearly all other environmental impacts were numerically lower, both on-farm and off-farm, differences were not statistically significant. Nitrogen losses to air and water decreased by on average 5 to 10% when INC farming would be implemented for the whole region. The impact of INC farming on the global warming potential and eutrophication potential was, however, almost negligible (<2%) at regional level. This was due to a negligible impact on the methane emissions and on the surplus and thereby on the soil accumulation and losses of phosphorus to water at INC farms, illustrating the focus of these farms on closing the nitrogen cycle. PMID:26231773

  7. Environmental impacts of innovative dairy farming systems aiming at improved internal nutrient cycling: A multi-scale assessment.

    PubMed

    de Vries, W; Kros, J; Dolman, M A; Vellinga, Th V; de Boer, H C; Gerritsen, A L; Sonneveld, M P W; Bouma, J

    2015-12-01

    Several dairy farms in the Netherlands aim at reducing environmental impacts by improving the internal nutrient cycle (INC) on their farm by optimizing the use of available on-farm resources. This study evaluates the environmental performance of selected INC farms in the Northern Friesian Woodlands in comparison to regular benchmark farms using a Life Cycle Assessment. Regular farms were selected on the basis of comparability in terms of milk production per farm and per hectare, soil type and drainage conditions. In addition, the environmental impacts of INC farming at landscape level were evaluated with the integrated modelling system INITIATOR, using spatially explicit input data on animal numbers, land use, agricultural management, meteorology and soil, assuming that all farms practised the principle of INC farming. Impact categories used at both farm and landscape levels were global warming potential, acidification potential and eutrophication potential. Additional farm level indicators were land occupation and non-renewable energy use, and furthermore all farm level indicators were also expressed per kg fat and protein corrected milk. Results showed that both on-farm and off-farm non-renewable energy use was significantly lower at INC farms as compared with regular farms. Although nearly all other environmental impacts were numerically lower, both on-farm and off-farm, differences were not statistically significant. Nitrogen losses to air and water decreased by on average 5 to 10% when INC farming would be implemented for the whole region. The impact of INC farming on the global warming potential and eutrophication potential was, however, almost negligible (<2%) at regional level. This was due to a negligible impact on the methane emissions and on the surplus and thereby on the soil accumulation and losses of phosphorus to water at INC farms, illustrating the focus of these farms on closing the nitrogen cycle.

  8. Development of a multi-scale and multi-modality imaging system to characterize tumours and their microenvironment in vivo

    NASA Astrophysics Data System (ADS)

    Rouffiac, Valérie; Ser-Leroux, Karine; Dugon, Emilie; Leguerney, Ingrid; Polrot, Mélanie; Robin, Sandra; Salomé-Desnoulez, Sophie; Ginefri, Jean-Christophe; Sebrié, Catherine; Laplace-Builhé, Corinne

    2015-03-01

    In vivo high-resolution imaging of tumor development is possible through dorsal skinfold chamber implantable on mice model. However, current intravital imaging systems are weakly tolerated along time by mice and do not allow multimodality imaging. Our project aims to develop a new chamber for: 1- long-term micro/macroscopic visualization of tumor (vascular and cellular compartments) and tissue microenvironment; and 2- multimodality imaging (photonic, MRI and sonography). Our new experimental device was patented in March 2014 and was primarily assessed on 75 mouse engrafted with 4T1-Luc tumor cell line, and validated in confocal and multiphoton imaging after staining the mice vasculature using Dextran 155KDa-TRITC or Dextran 2000kDa-FITC. Simultaneously, a universal stage was designed for optimal removal of respiratory and cardiac artifacts during microscopy assays. Experimental results from optical, ultrasound (Bmode and pulse subtraction mode) and MRI imaging (anatomic sequences) showed that our patented design, unlike commercial devices, improves longitudinal monitoring over several weeks (35 days on average against 12 for the commercial chamber) and allows for a better characterization of the early and late tissue alterations due to tumour development. We also demonstrated the compatibility for multimodality imaging and the increase of mice survival was by a factor of 2.9, with our new skinfold chamber. Current developments include: 1- defining new procedures for multi-labelling of cells and tissue (screening of fluorescent molecules and imaging protocols); 2- developing ultrasound and MRI imaging procedures with specific probes; 3- correlating optical/ultrasound/MRI data for a complete mapping of tumour development and microenvironment.

  9. Multiscale study of metal nanoparticles

    NASA Astrophysics Data System (ADS)

    Lee, Byeongchan

    Extremely small structures with reduced dimensionality have emerged as a scientific motif for their interesting properties. In particular, metal nanoparticles have been identified as a fundamental material in many catalytic activities; as a consequence, a better understanding of structure-function relationship of nanoparticles has become crucial. The functional analysis of nanoparticles, reactivity for example, requires an accurate method at the electronic structure level, whereas the structural analysis to find energetically stable local minima is beyond the scope of quantum mechanical methods as the computational cost becomes prohibitingly high. The challenge is that the inherent length scale and accuracy associated with any single method hardly covers the broad scale range spanned by both structural and functional analyses. In order to address this, and effectively explore the energetics and reactivity of metal nanoparticles, a hierarchical multiscale modeling is developed, where methodologies of different length scales, i.e. first principles density functional theory, atomistic calculations, and continuum modeling, are utilized in a sequential fashion. This work has focused on identifying the essential information that bridges two different methods so that a successive use of different methods is seamless. The bond characteristics of low coordination systems have been obtained with first principles calculations, and incorporated into the atomistic simulation. This also rectifies the deficiency of conventional interatomic potentials fitted to bulk properties, and improves the accuracy of atomistic calculations for nanoparticles. For the systematic shape selection of nanoparticles, we have improved the Wulff-type construction using a semi-continuum approach, in which atomistic surface energetics and crystallinity of materials are added on to the continuum framework. The developed multiscale modeling scheme is applied to the rational design of platinum

  10. A Multiscale Bidirectional Coupling Framework

    SciTech Connect

    Kabilan, Senthil; Kuprat, Andrew P.; Hlastala, Michael P.; Corley, Richard A.; Einstein, Daniel R.

    2011-12-01

    The lung is geometrically articulated across multiple scales from the trachea to the alveoli. A major computational challenge is to tightly link ODEs that describe lower scales to 3D finite element or finite volume models of airway mechanics using iterative communication between scales. In this study, we developed a novel multiscale computational framework for bidirectionally coupling 3D CFD models and systems of lower order ODEs. To validate the coupling framework, a four and eight generation Weibel lung model was constructed. For the coupled CFD-ODE simulations, the lung models were truncated at different generations and a RL circuit represented the truncated portion. The flow characteristics from the coupled models were compared to untruncated full 3D CFD models at peak inhalation and peak exhalation. Results showed that at no time or simulation was the difference in mass flux and/or pressure at a given location between uncoupled and coupled models was greater than 2.43%. The flow characteristics at prime locations for the coupled models showed good agreement to uncoupled models. Remarkably, due to reuse of the Krylov subspace, the cost of the ODE coupling is not much greater than uncoupled full 3D-CFD computations with simple prescribed pressure values at the outlets.

  11. Co-creating Understanding in Water Use & Agricultural Resilience in a Multi-scale Natural-human System: Sacramento River Valley--California's Water Heartland in Transition

    NASA Astrophysics Data System (ADS)

    Fairbanks, D. H.; Brimlowe, J.; Chaudry, A.; Gray, K.; Greene, T.; Guzley, R.; Hatfield, C.; Houk, E.; Le Page, C.

    2012-12-01

    The Sacramento River Valley (SRV), valued for its $2.5 billion agricultural production and its biodiversity, is the main supplier of California's water, servicing 25 million people. . Despite rapid changes to the region, little is known about the collective motivations and consequences of land and water use decisions, or the social and environmental vulnerability and resilience of the SRV. The overarching research goal is to examine whether the SRV can continue to supply clean water for California and accommodate agricultural production and biodiversity while coping with climate change and population growth. Without understanding these issues, the resources of the SRV face an uncertain future. The defining goal is to construct a framework that integrates cross-disciplinary and diverse stakeholder perspectives in order to develop a comprehensive understanding of how SRV stakeholders make land and water use decisions. Traditional approaches for modeling have failed to take into consideration multi-scale stakeholder input. Currently there is no effective method to facilitate producers and government agencies in developing a shared representation to address the issues that face the region. To address this gap, researchers and stakeholders are working together to collect and consolidate disconnected knowledge held by stakeholder groups (agencies, irrigation districts, and producers) into a holistic conceptual model of how stakeholders view and make decisions with land and water use under various management systems. Our approach integrates a top-down approach (agency stakeholders) for larger scale management decisions with a conceptual co-creation and data gathering bottom-up approach with local agricultural producer stakeholders for input water and landuse decisions. Land use change models that combine a top-down approach with a bottom-up stakeholder approach are rare and yet essential to understanding how the social process of land use change and ecosystem function are

  12. A Collaborative Informatics Infrastructure for Multi-scale Science

    SciTech Connect

    Myers, J D; Allison, T C; Bittner, S; Didier, B; Frenklach, M; Green, Jr., W H; Ho, Y; Hewson, J; Koegler, W; Lansing, C; Leahy, D; Lee, M; McCoy, R; Minkoff, M; Nijsure, S; von Laszewski, G; Montoya, D; Pancerella, C; Pinzon, R; Pitz, W J; Rahn, L A; Ruscis, B; Schuchardt, K; Stephan, E; Wagner, A; Windus, T; Yang, C

    2005-05-11

    The Collaboratory for Multi-scale Chemical Science (CMCS) is developing a powerful informatics-based approach to synthesizing multi-scale information to support a systems-based research approach and is applying it in support of combustion research. An open source multi-scale informatics toolkit is being developed that addresses a number of issues core to the emerging concept of knowledge grids including provenance tracking and lightweight federation of data and application resources into cross-scale information flows. The CMCS portal is currently in use by a number of high-profile pilot groups and is playing a significant role in enabling their efforts to improve and extend community maintained chemical reference information.

  13. The Magnetospheric Multiscale Magnetometers

    NASA Astrophysics Data System (ADS)

    Russell, C. T.; Anderson, B. J.; Baumjohann, W.; Bromund, K. R.; Dearborn, D.; Fischer, D.; Le, G.; Leinweber, H. K.; Leneman, D.; Magnes, W.; Means, J. D.; Moldwin, M. B.; Nakamura, R.; Pierce, D.; Plaschke, F.; Rowe, K. M.; Slavin, J. A.; Strangeway, R. J.; Torbert, R.; Hagen, C.; Jernej, I.; Valavanoglou, A.; Richter, I.

    2016-03-01

    The success of the Magnetospheric Multiscale mission depends on the accurate measurement of the magnetic field on all four spacecraft. To ensure this success, two independently designed and built fluxgate magnetometers were developed, avoiding single-point failures. The magnetometers were dubbed the digital fluxgate (DFG), which uses an ASIC implementation and was supplied by the Space Research Institute of the Austrian Academy of Sciences and the analogue magnetometer (AFG) with a more traditional circuit board design supplied by the University of California, Los Angeles. A stringent magnetic cleanliness program was executed under the supervision of the Johns Hopkins University's Applied Physics Laboratory. To achieve mission objectives, the calibration determined on the ground will be refined in space to ensure all eight magnetometers are precisely inter-calibrated. Near real-time data plays a key role in the transmission of high-resolution observations stored on board so rapid processing of the low-resolution data is required. This article describes these instruments, the magnetic cleanliness program, and the instrument pre-launch calibrations, the planned in-flight calibration program, and the information flow that provides the data on the rapid time scale needed for mission success.

  14. Modelling multiscale aspects of colorectal cancer

    NASA Astrophysics Data System (ADS)

    van Leeuwen, Ingeborg M. M.; Byrne, Helen M.; Johnston, Matthew D.; Edwards, Carina M.; Chapman, S. Jonathan; Bodmer, Walter F.; Maini, Philip K.

    2008-01-01

    Colorectal cancer (CRC) is responsible for nearly half a million deaths annually world-wide [11]. We present a series of mathematical models describing the dynamics of the intestinal epithelium and the kinetics of the molecular pathway most commonly mutated in CRC, the Wnt signalling network. We also discuss how we are coupling such models to build a multiscale model of normal and aberrant guts. This will enable us to combine disparate experimental and clinical data, to investigate interactions between phenomena taking place at different levels of organisation and, eventually, to test the efficacy of new drugs on the system as a whole.

  15. Multiscale structure in eco-evolutionary dynamics

    NASA Astrophysics Data System (ADS)

    Stacey, Blake C.

    In a complex system, the individual components are neither so tightly coupled or correlated that they can all be treated as a single unit, nor so uncorrelated that they can be approximated as independent entities. Instead, patterns of interdependency lead to structure at multiple scales of organization. Evolution excels at producing such complex structures. In turn, the existence of these complex interrelationships within a biological system affects the evolutionary dynamics of that system. I present a mathematical formalism for multiscale structure, grounded in information theory, which makes these intuitions quantitative, and I show how dynamics defined in terms of population genetics or evolutionary game theory can lead to multiscale organization. For complex systems, "more is different," and I address this from several perspectives. Spatial host--consumer models demonstrate the importance of the structures which can arise due to dynamical pattern formation. Evolutionary game theory reveals the novel effects which can result from multiplayer games, nonlinear payoffs and ecological stochasticity. Replicator dynamics in an environment with mesoscale structure relates to generalized conditionalization rules in probability theory. The idea of natural selection "acting at multiple levels" has been mathematized in a variety of ways, not all of which are equivalent. We will face down the confusion, using the experience developed over the course of this thesis to clarify the situation.

  16. Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

    SciTech Connect

    Smith, F.; Flach, G.

    2015-03-30

    This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to develop a new Cementitious Barriers Project (CBP) software module designated as FLOExcel. FLOExcel incorporates a uniform database to capture material characterization data and a GoldSim model to define flow properties for both intact and fractured cementitious materials and estimate Darcy velocity based on specified hydraulic head gradient and matric tension. The software module includes hydraulic parameters for intact cementitious and granular materials in the database and a standalone GoldSim framework to manipulate the data. The database will be updated with new data as it comes available. The software module will later be integrated into the next release of the CBP Toolbox, Version 3.0. This report documents the development efforts for this software module. The FY14 activities described in this report focused on the following two items that form the FLOExcel package; 1) Development of a uniform database to capture CBP data for cementitious materials. In particular, the inclusion and use of hydraulic properties of the materials are emphasized; and 2) Development of algorithms and a GoldSim User Interface to calculate hydraulic flow properties of degraded and fractured cementitious materials. Hydraulic properties are required in a simulation of flow through cementitious materials such as Saltstone, waste tank fill grout, and concrete barriers. At SRNL these simulations have been performed using the PORFLOW code as part of Performance Assessments for salt waste disposal and waste tank closure.

  17. A new alkali-activated steel slag-based cementitious material for photocatalytic degradation of organic pollutant from waste water.

    PubMed

    Zhang, Yao Jun; Liu, Li Cai; Xu, Yong; Wang, Ya Chao; Xu, De Long

    2012-03-30

    A new type of Ni,Ca-cementitious material was firstly synthesized via a two-step reaction of alkali-activated steel slag polymerization and ion exchange. The XRF results showed that almost all the Na(+) ions in the matrix of Na,Ca-cementitious material were replaced by Ni(2+) ions at room temperature. The new hydrated products of metahalloysite (Si(2)Al(2)O(5)(OH)(4)) and calcium silicate hydrate (CSH) were formed in the Na,Ca-cementitious material. The diffuse reflectance UV-vis near infrared ray spectrum was blue-shifted due to the strong interaction between Ni(2+) and negative charge of [AlO(4)](5-) tetrahedron in the framework of cementitious material. The Ni,Ca-cementitious material was used as a catalyst for the photocatalytic degradation of methylene blue dye and showed a degradation rate of 94.39% under UV irradiation. The high photocatalytic degradation activity was suggested to be the synergistic effect of the cementitious matrix, Ni(2+) ions and the iron oxides of wustite (FeO) and calcium iron oxide (Ca(2)Fe(2)O(5)) from the steel slag. A probable mechanism of photocatalytic oxidative degradation was proposed.

  18. Evaluation of the Models-3 Community Multi-scale Air Quality (CMAQ) modeling system with observations obtained during the TRACE-P experiment: Comparison of ozone and its related species

    NASA Astrophysics Data System (ADS)

    Zhang, Meigen; Uno, Itsushi; Zhang, Renjian; Han, Zhiwei; Wang, Zifa; Pu, Yifen

    The Models-3 Community Multi-scale Air Quality (CMAQ) modeling system with meteorological fields calculated by the Regional Atmospheric Modeling System (RAMS) was applied to East Asia to investigate the transport and photochemical transformation of tropospheric ozone during the Transport and Chemical Evolution over the Pacific (TRACE-P) field campaign. Modeled concentrations of hydroxyl radical, hydroperoxyl radical, nitric oxide, nitrogen dioxide, ethene, ethane, carbon monoxide, and ozone were compared with observations obtained onboard of two aircrafts in order to evaluate the model performance. Comparison indicates that the model reproduced the tempo-spatial distributions of ozone and its related chemical species reasonably well, and most model results were within a factor of 2 of the observations.

  19. Multiscale molecular dynamics/hydrodynamics implementation of two dimensional "Mercedes Benz" water model

    NASA Astrophysics Data System (ADS)

    Scukins, A.; Nerukh, D.; Pavlov, E.; Karabasov, S.; Markesteijn, A.

    2015-09-01

    A multiscale Molecular Dynamics/Hydrodynamics implementation of the 2D Mercedes Benz (MB or BN2D) [1] water model is developed and investigated. The concept and the governing equations of multiscale coupling together with the results of the two-way coupling implementation are reported. The sensitivity of the multiscale model for obtaining macroscopic and microscopic parameters of the system, such as macroscopic density and velocity fluctuations, radial distribution and velocity autocorrelation functions of MB particles, is evaluated. Critical issues for extending the current model to large systems are discussed.

  20. Hydration kinetics of cementitious materials composed of red mud and coal gangue

    NASA Astrophysics Data System (ADS)

    Zhang, Na; Li, Hong-xu; Liu, Xiao-ming

    2016-10-01

    To elucidate the intrinsic reaction mechanism of cementitious materials composed of red mud and coal gangue (RGC), the hydration kinetics of these cementitious materials at 20°C was investigated on the basis of the Krstulović-Dabić model. An isothermal calorimeter was used to characterize the hydration heat evolution. The results show that the hydration of RGC is controlled by the processes of nucleation and crystal growth (NG), interaction at phase boundaries (I), and diffusion (D) in order, and the pozzolanic reactions of slag and compound-activated red mud-coal gangue are mainly controlled by the I process. Slag accelerates the clinker hydration during NG process, whereas the compound-activated red mud-coal gangue retards the hydration of RGC and the time required for I process increases with increasing dosage of red mud-coal gangue in RGC.

  1. Methyl methacrylate as a healing agent for self-healing cementitious materials

    NASA Astrophysics Data System (ADS)

    Van Tittelboom, K.; Adesanya, K.; Dubruel, P.; Van Puyvelde, P.; De Belie, N.

    2011-12-01

    Different types of healing agents have already been tested on their efficiency for use in self-healing cementitious materials. Generally, commercial healing agents are used while their properties are adjusted for manual crack repair and not for autonomous crack healing. Consequently, the amount of regain in properties due to self-healing of cracks is limited. In this research, a methyl methacrylate (MMA)-based healing agent was developed specifically for use in self-healing cementitious materials. Various parameters were optimized including the viscosity, curing time, strength, etc. After the desired properties were obtained, the healing agent was encapsulated and screened for its self-healing efficiency. The decrease in water permeability due to autonomous crack healing using MMA as a healing agent was similar to the results obtained for manually healed cracks. First results seem promising: however, further research needs to be undertaken in order to obtain an optimal healing agent ready for use in practice.

  2. Electrosteric stabilization of heteroflocculating suspensions and its application to the processing of self-compacting engineered cementitious composites

    NASA Astrophysics Data System (ADS)

    Kong, Hyun-Joon

    This dissertation investigates a dispersion/stabilization technique to improve the fluidity of heteroflocculating concentrated suspensions, and applies the technique to develop self-compacting Engineered Cementitious Composites (ECC), defined as a cementitious material which compacts without any external consolidation in the fresh state, while exhibiting strain-hardening performance in the hardened state. To meet the criteria of micromechanical design to achieve the ductile performance and processing design to attain high fluidity, this work has focused on preparing cement suspensions with low viscosity and high cohesiveness at a particle loading determined by the micromechanical design. Therefore, the goal of this work is to quantify how to adjust the strong flocculation between cement particles due to electrostatic and van der Waals attractive forces. For this purpose, a strong polyelectrolyte, melamine formaldehyde sulfonate (MFS), to disperse the oppositely-charged particles present in the cement dispersion, is combined with a non-ionic polymer, hydroxypropylmethylcellulose (HPMC). The combination of these two polymers to prevent re-flocculation leads to "complementary electrosteric dispersion/ stabilization". With these polymers, suspensions with the desired fluidity for processing are obtained. To quantify the roles of the two polymers in imparting stability, a heteroflocculating model suspension was developed, which facilitates the control of the interactions typical of cement suspensions, but without irreversible hydration. This model suspension is composed of alumina and silica particles, which bear surface potentials of opposite sign at intermediate pHs, as well as has a comparable magnitude of the Hamaker constant as compared to cement particles. As a result, the model system displays not only van der Waals attraction but also electrostatic attraction between dissimilar particles. Rheological studies of the model system stabilized by MFS and HPMC show

  3. Evaluation of natural colonisation of cementitious materials: effect of bioreceptivity and environmental conditions.

    PubMed

    Manso, Sandra; Calvo-Torras, María Ángeles; De Belie, Nele; Segura, Ignacio; Aguado, Antonio

    2015-04-15

    Incorporation of living organisms, such as photosynthetic organisms, on the structure envelope has become a priority in the area of architecture and construction due to aesthetical, economic and ecological advantages. Important research efforts are made to achieve further improvements, such as for the development of cementitious materials with an enhanced bioreceptivity to stimulate biological growth. Previously, the study of the bioreceptivity of cementitious materials has been carried out mainly under laboratory conditions although field-scale experiments may present different results. This work aims at analysing the colonisation of cementitious materials with different levels of bioreceptivity by placing them in three different environmental conditions. Specimens did not present visual colonisation, which indicates that environmental conditions have a greater impact than intrinsic properties of the material at this stage. Therefore, it appears that in addition to an optimized bioreceptivity of the concrete (i.e., composition, porosity and roughness), extra measures are indispensable for a rapid development of biological growth on concrete surfaces. An analysis of the colonisation in terms of genus and quantity of the most representative microorganisms found on the specimens for each location was carried out and related to weather conditions, such as monthly average temperature and total precipitation, and air quality in terms of NOx, SO2, CO and O3. OPC-based specimens presented a higher colonisation regarding both biodiversity and quantity. However, results obtained in a previous experimental programme under laboratory conditions suggested a higher suitability of Magnesium Phosphate Cement-based (MPC-based) specimens for algal growth. Consequently, carefully considering the environment and the relationships between the different organisms present in an environment is vital for successfully using a cementitious material as a substrate for biological growth. PMID

  4. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    SciTech Connect

    Naus, Dan J; Mattus, Catherine H; Dole, Leslie Robert

    2007-06-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a "primer" on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a "bench-scale" laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the "primer," a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures.

  5. Multi-Scale Infrastructure Assessment

    EPA Science Inventory

    The U.S. Environmental Protection Agency’s (EPA) multi-scale infrastructure assessment project supports both water resource adaptation to climate change and the rehabilitation of the nation’s aging water infrastructure by providing tools, scientific data and information to progra...

  6. Use of polypropylene fibers coated with nano-silica particles into a cementitious mortar

    NASA Astrophysics Data System (ADS)

    Coppola, B.; Di Maio, L.; Scarfato, P.; Incarnato, L.

    2015-12-01

    Fiber reinforced cementitious composite (FRCC) materials have been widely used during last decades in order to overcome some of traditional cementitious materials issues: brittle behaviour, fire resistance, cover spalling, impact strength. For composite materials, fiber/matrix bond plays an important role because by increasing fiber/matrix interactions is possible to increase the behaviour of the entire material. In this study, in order to improve fiber to matrix adhesion, two chemical treatments of polypropylene fibers were investigated: alkaline hydrolysis and nano-silica sol-gel particles deposition. Treatmtents effect on fibers morphology and mechanical properties was investigated by scanning electron microscopy (SEM) and tensile tests. SEM investigations report the presence of spherical nano-silica particles on fiber surface, in the case of sol-gel process, while alkaline hydrolysis leads to an increase of fibers roughness. Both treatments have negligible influence on fibers mechanical properties confirming the possibility of their use in a cementitious mortar. Pullout tests were carried out considering three embedded length of fibers in mortar samples (10, 20 and 30 mm, respectively) showing an increase of pullout energy for treated fibers. The influence on fiber reinforced mortar mechanical properties was investigated by three-point flexural tests on prismatic specimens considering two fibers length (15 and 30 mm) and two fibers volume fractions (0.50 and 1.00 %). A general increase of flexural strength over the reference mix was achieved and an overall better behaviour is recognizable for mortars containing treated fibers.

  7. Use of polypropylene fibers coated with nano-silica particles into a cementitious mortar

    SciTech Connect

    Coppola, B. Di Maio, L.; Scarfato, P.; Incarnato, L.

    2015-12-17

    Fiber reinforced cementitious composite (FRCC) materials have been widely used during last decades in order to overcome some of traditional cementitious materials issues: brittle behaviour, fire resistance, cover spalling, impact strength. For composite materials, fiber/matrix bond plays an important role because by increasing fiber/matrix interactions is possible to increase the behaviour of the entire material. In this study, in order to improve fiber to matrix adhesion, two chemical treatments of polypropylene fibers were investigated: alkaline hydrolysis and nano-silica sol-gel particles deposition. Treatmtents effect on fibers morphology and mechanical properties was investigated by scanning electron microscopy (SEM) and tensile tests. SEM investigations report the presence of spherical nano-silica particles on fiber surface, in the case of sol-gel process, while alkaline hydrolysis leads to an increase of fibers roughness. Both treatments have negligible influence on fibers mechanical properties confirming the possibility of their use in a cementitious mortar. Pullout tests were carried out considering three embedded length of fibers in mortar samples (10, 20 and 30 mm, respectively) showing an increase of pullout energy for treated fibers. The influence on fiber reinforced mortar mechanical properties was investigated by three-point flexural tests on prismatic specimens considering two fibers length (15 and 30 mm) and two fibers volume fractions (0.50 and 1.00 %). A general increase of flexural strength over the reference mix was achieved and an overall better behaviour is recognizable for mortars containing treated fibers.

  8. Leaching characteristics of steel slag components and their application in cementitious property prediction.

    PubMed

    Li, Zaibo; Zhao, Sanyin; Zhao, Xuguang; He, Tusheng

    2012-01-15

    High-efficiency recovery and utilization of steel slag are important concerns for environmental protection and sustainable development. To establish a rapid method to evaluate the cementitious properties of steel slag, leaching tests were carried out on steel slag components via an evaporation-condensation method; the leaching characteristics and mechanism of the slag were also investigated. The relationship between leaching characteristics and cementitious properties, which were represented by mortar compressive strength, was analyzed. Results show that there exist significant differences among the amounts of chemically active leached components. The leaching process can be described by the shrinking unreacted core model controlled by intra-particle diffusion, and is in accordance with Kondo R hydration kinetics equation. The leaching process showed a good linear relationship between the amounts of components leached from steel slag and the mortar compressive strength of cementitious materials prepared from reference cement and steel slag with mass ratios of 50:50 and 70:30. The compressive strengths of mortars subjected to 7, 28, and 90 days of curing can be accurately predicted by the sum of leached (CaO+Al(2)O(3)) obtained after a certain length of leaching time.

  9. Analysis of durability of advanced cementitious materials for rigid pavement construction in California

    SciTech Connect

    Kurtis, K.E.; Monteiro, P.

    1999-04-01

    Caltrans specifications for the construction of rigid pavements require rapid setting, high early strength, superior workability concrete with a desired 30+ year service life. These strict specifications provide the motivations for the investigation of advanced cementitious materials for pavement construction. The cementitious materials under consideration by Caltrans may be classified into four categories: Portland cements and blends, calcium aluminate cements and blends, calcium sulfoaluminate cements, and fly ash-based cements. To achieve the desired 30+ year design life, it is essential to select materials that are expected to exhibit long-term durability. Because most of the cementitious materials under consideration have not been extensively used for pavement construction in the United States, it is essential to characterize the long-term durability of each material. This report provides general information concerning the deleterious reactions that may damage concrete pavements in California. The reactions addressed in this report are sulfate attack, aggregate reactions, corrosion of reinforcing steel, and freeze-thaw action. Specifically, the expected performance of Portland cements and blends, calcium aluminate cements and blends, calcium sulfoaluminate cements, and fly ash-based cements are examined with regard to each of the deleterious reactions listed. Additional consideration is given to any deterioration mechanism that is particular to any of these cement types. Finally, the recommended test program for assessing potential long-term durability with respect to sulfate attack is described.

  10. Shock Wave Propagation in Cementitious Materials at Micro/Meso Scales

    NASA Astrophysics Data System (ADS)

    Rajendran, Arunachalam

    2015-06-01

    The mechanical and constitutive response of materials like cement, and bio materials like fish scale and abalone shell is very complex due to heterogeneities that are inherently present in the nano and microstructures. The intrinsic constitutive behaviors are driven by the chemical composition and the molecular, micro, and meso structures. Therefore, it becomes important to identify the material genome as the building block for the material. For instance, in cementitious materials, the genome of C-S-H phase (the glue or the paste) that holds the various clinkers, such as the dicalcium silicate, tricalcium silicate, calcium ferroaluminates, and others is extremely complex. Often mechanical behaviors of C-S-H type materials are influenced by the chemistry and the structures at all nano to micro length scales. By explicitly modeling the molecular structures using appropriate potentials, it is then possible to compute the elastic tensor from molecular dynamics simulations using all atom method. The elastic tensors for the C-S-H gel and other clinkers are determined using the software suite ``Accelrys Materials Studio.'' A strain rate dependent, fracture mechanics based tensile damage model has been incorporated into ABAQUS finite element code to model spall evolution in the heterogeneous cementitious material with all constituents explicitly modeled through one micron element resolution. This paper presents results from nano/micro/meso scale analyses of shock wave propagation in a heterogeneous cementitious material using both molecular dynamic and finite element codes.

  11. USE OF CEMENTITIOUS MATERIALS FOR SRS REACTOR FACILITY IN-SITU DECOMMISSIONING - 11620

    SciTech Connect

    Langton, C.; Stefanko, D.; Serrato, M.; Blankenship, J.; Griffin, W.; Waymer, J.; Matheny, D.; Singh, D.

    2010-12-07

    The United States Department of Energy (US DOE) concept for facility in-situ decommissioning (ISD) is to physically stabilize and isolate in tact, structurally sound facilities that are no longer needed for their original purpose of, i.e., producing (reactor facilities), processing (isotope separation facilities) or storing radioactive materials. The Savannah River Site 105-P and 105-R Reactor Facility ISD requires about 250,000 cubic yards of grout to fill the below grade structure. The fills are designed to prevent subsidence, reduce water infiltration, and isolate contaminated materials. This work is being performed as a Comprehensive Environmental Response, Compensations and Liability Act (CERCLA) action and is part of the overall soil and groundwater completion projects for P- and R-Areas. Cementitious materials were designed for the following applications: (1) Below grade massive voids/rooms: Portland cement-based structural flowable fills for - Bulk filling, Restricted placement and Underwater placement. (2) Special below grade applications for reduced load bearing capacity needs: Cellular portland cement lightweight fill (3) Reactor vessel fills that are compatible with reactive metal (aluminum metal) components in the reactor vessels: Calcium sulfoaluminate flowable fill, and Magnesium potassium phosphate flowable fill. (4) Caps to prevent water infiltration and intrusion into areas with the highest levels of radionuclides: Portland cement based shrinkage compensating concrete. A system engineering approach was used to identify functions and requirements of the fill and capping materials. Laboratory testing was performed to identify candidate formulations and develop final design mixes. Scale-up testing was performed to verify material production and placement as well as fresh and cured properties. The 105-P and 105-R ISD projects are currently in progress and are expected to be complete in 2012. The focus of this paper is to describe the (1) grout mixes

  12. A multiscale model for virus capsid dynamics.

    PubMed

    Chen, Changjun; Saxena, Rishu; Wei, Guo-Wei

    2010-01-01

    Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. PMID:20224756

  13. Multiscale Mathematical Modeling in Dental Tissue Engineering: Toward Computer-Aided Design of a Regenerative System Based on Hydroxyapatite Granules, Focussing on Early and Mid-Term Stiffness Recovery

    PubMed Central

    Scheiner, Stefan; Komlev, Vladimir S.; Gurin, Alexey N.; Hellmich, Christian

    2016-01-01

    We here explore for the very first time how an advanced multiscale mathematical modeling approach may support the design of a provenly successful tissue engineering concept for mandibular bone. The latter employs double-porous, potentially cracked, single millimeter-sized granules packed into an overall conglomerate-type scaffold material, which is then gradually penetrated and partially replaced by newly grown bone tissue. During this process, the newly developing scaffold-bone compound needs to attain the stiffness of mandibular bone under normal physiological conditions. In this context, the question arises how the compound stiffness is driven by the key design parameters of the tissue engineering system: macroporosity, crack density, as well as scaffold resorption/bone formation rates. We here tackle this question by combining the latest state-of-the-art mathematical modeling techniques in the field of multiscale micromechanics, into an unprecedented suite of highly efficient, semi-analytically defined computation steps resolving several levels of hierarchical organization, from the millimeter- down to the nanometer-scale. This includes several types of homogenization schemes, namely such for porous polycrystals with elongated solid elements, for cracked matrix-inclusion composites, as well as for assemblies of coated spherical compounds. Together with the experimentally known stiffnesses of hydroxyapatite crystals and mandibular bone tissue, the new mathematical model suggests that early stiffness recovery (i.e., within several weeks) requires total avoidance of microcracks in the hydroxyapatite scaffolds, while mid-term stiffness recovery (i.e., within several months) is additionally promoted by provision of small granule sizes, in combination with high bone formation and low scaffold resorption rates. PMID:27708584

  14. Multiscale Fractal Characterization of Hierarchical Heterogeneity in Sandstone Reservoirs

    NASA Astrophysics Data System (ADS)

    Liu, Yanfeng; Liu, Yuetian; Sun, Lu; Liu, Jian

    2016-07-01

    Heterogeneities affecting reservoirs often develop at different scales. Previous studies have described these heterogeneities using different parameters depending on their size, and there is no one comprehensive method of reservoir evaluation that considers every scale. This paper introduces a multiscale fractal approach to quantify consistently the hierarchical heterogeneities of sandstone reservoirs. Materials taken from typical depositional pattern and aerial photography are used to represent three main types of sandstone reservoir: turbidite, braided, and meandering river system. Subsequent multiscale fractal dimension analysis using the Bouligand-Minkowski method characterizes well the hierarchical heterogeneity of the sandstone reservoirs. The multiscale fractal dimension provides a curve function that describes the heterogeneity at different scales. The heterogeneity of a reservoir’s internal structure decreases as the observational scale increases. The shape of a deposit’s facies is vital for quantitative determination of the sedimentation type, and thus enhanced oil recovery. Characterization of hierarchical heterogeneity by multiscale fractal dimension can assist reservoir evaluation, geological modeling, and even the design of well patterns.

  15. Photovoltaic's silica-rich waste sludge as supplementary cementitious material (SCM)

    SciTech Connect

    Quercia, G.; Putten, J.J.G. van der; Hüsken, G.; Brouwers, H.J.H.

    2013-12-15

    Waste sludge, a solid recovered from wastewater of photovoltaic-industries, composes of agglomerates of nano-particles like SiO{sub 2} and CaCO{sub 3}. This sludge deflocculates in aqueous solutions into nano-particles smaller than 1 μm. Thus, this sludge constitutes a potentially hazardous waste when it is improperly disposed. Due to its high content of amorphous SiO{sub 2}, this sludge has a potential use as supplementary cementitious material (SCM) in concrete. In this study the main properties of three different samples of photovoltaic's silica-rich waste sludge (nSS) were physically and chemically characterized. The characterization techniques included: scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), nitrogen physical adsorption isotherm (BET method), density by Helium pycnometry, particle size distribution determined by laser light scattering (LLS) and zeta-potential measurements by dynamic light scattering (DLS). In addition, a dispersability study was performed to design stable slurries to be used as liquid additives for the concrete production on site. The effects on the hydration kinetics of cement pastes by the incorporation of nSS in the designed slurries were determined using an isothermal calorimeter. A compressive strength test of standard mortars with 7% of cement replacement was performed to determine the pozzolanic activity of the waste nano-silica sludge. Finally, the hardened system was fully characterized to determine the phase composition. The results demonstrate that the nSS can be utilized as SCM to replace portion of cement in mortars, thereby decreasing the CO{sub 2} footprint and the environmental impact of concrete. -- Highlights: •Three different samples of PV nano-silica sludge (nSS) were fully characterized. •nSS is composed of agglomerates of nano-particles like SiO{sub 2} and CaCO{sub 3}. •Dispersability studies demonstrated that nSS agglomerates are broken to nano

  16. Variational multiscale models for charge transport

    PubMed Central

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  17. Multiscale-tailored bioelectrode surfaces for optimized catalytic conversion efficiency.

    PubMed

    Bon Saint Côme, Yémima; Lalo, Hélène; Wang, Zhijie; Etienne, Mathieu; Gajdzik, Janine; Kohring, Gert-Wieland; Walcarius, Alain; Hempelmann, Rolf; Kuhn, Alexander

    2011-10-18

    We describe the elaboration of a multiscale-tailored bioelectrocatalytic system. The combination of two enzymes, D-sorbitol dehydrogenase and diaphorase, is studied with respect to the oxidation of D-sorbitol as a model system. The biomolecules are immobilized in an electrodeposited paint (EDP) layer. Reproducible and efficient catalysis of D-sorbitol oxidation is recorded when this system is immobilized on a gold electrode modified by a self-assembled monolayer of 4-carboxy-(2,5,7-trinitro-9-fluorenylidene)malonitrile used as a mediator. The insertion of mediator-modified gold nanoparticles into the EDP film increases significantly the active surface area for the catalytic reaction, which can be further enhanced when the whole system is immobilized in macroporous gold electrodes. This multiscale architecture finally leads to a catalytic device with optimized efficiency for potential use in biosensors, bioelectrosynthesis, and biofuel cells.

  18. Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

    NASA Astrophysics Data System (ADS)

    Field, Martin J.; Wymore, Troy W.

    2014-10-01

    The 2013 Nobel Prize in Chemistry was awarded for the development of multiscale models for complex chemical systems, whereas the 2013 Peace Prize was given to the Organisation for the Prohibition of Chemical Weapons for their efforts to eliminate chemical warfare agents. This review relates the two by introducing the field of multiscale modeling and highlighting its application to the study of the biological mechanisms by which selected chemical weapon agents exert their effects at an atomic level.

  19. Multiscale vulnerability of complex networks.

    PubMed

    Boccaletti, Stefano; Buldú, Javier; Criado, Regino; Flores, Julio; Latora, Vito; Pello, Javier; Romance, Miguel

    2007-12-01

    We present a novel approach to quantify the vulnerability of a complex network, i.e., the capacity of a graph to maintain its functional performance under random damages or malicious attacks. The proposed measure represents a multiscale evaluation of vulnerability, and makes use of combined powers of the links' betweenness. We show that the proposed approach is able to properly describe some cases for which earlier measures of vulnerability fail. The relevant applications of our method for technological network design are outlined.

  20. OVERVIEW OF THE U.S. DEPARTMENT OF ENERGY AND NUCLEAR REGULATORY COMMISSION PERFORMANCE ASSESSMENT APPROACHES: CEMENTITIOUS BARRIERS PARTNERSHIP

    SciTech Connect

    Langton, C.; Burns, H.

    2009-05-29

    Engineered barriers including cementitious barriers are used at sites disposing or contaminated with low-level radioactive waste to enhance performance of the natural environment with respect to controlling the potential spread of contaminants. Drivers for using cementitious barriers include: high radionuclide inventory, radionuclide characteristics (e.g., long half-live, high mobility due to chemical form/speciation, waste matrix properties, shallow water table, and humid climate that provides water for leaching the waste). This document comprises the first in a series of reports being prepared for the Cementitious Barriers Partnership. The document is divided into two parts which provide a summary of: (1) existing experience in the assessment of performance of cementitious materials used for radioactive waste management and disposal and (2) sensitivity and uncertainty analysis approaches that have been applied for assessments. Each chapter is organized into five parts: Introduction, Regulatory Considerations, Specific Examples, Summary of Modeling Approaches and Conclusions and Needs. The objective of the report is to provide perspective on the state of the practice for conducting assessments for facilities involving cementitious barriers and to identify opportunities for improvements to the existing approaches. Examples are provided in two contexts: (1) performance assessments conducted for waste disposal facilities and (2) performance assessment-like analyses (e.g., risk assessments) conducted under other regulatory regimes. The introductory sections of each section provide a perspective on the purpose of performance assessments and different roles of cementitious materials for radioactive waste management. Significant experience with assessments of cementitious materials associated with radioactive waste disposal concepts exists in the US Department of Energy Complex and the commercial nuclear sector. Recently, the desire to close legacy facilities has created

  1. The solubility of nickel and its migration through the cementitious backfill of a geological disposal facility for nuclear waste.

    PubMed

    Felipe-Sotelo, M; Hinchliff, J; Field, L P; Milodowski, A E; Holt, J D; Taylor, S E; Read, D

    2016-08-15

    This work describes the solubility of nickel under the alkaline conditions anticipated in the near field of a cementitious repository for intermediate level nuclear waste. The measured solubility of Ni in 95%-saturated Ca(OH)2 solution is similar to values obtained in water equilibrated with a bespoke cementitious backfill material, on the order of 5×10(-7)M. Solubility in 0.02M NaOH is one order of magnitude lower. For all solutions, the solubility limiting phase is Ni(OH)2; powder X-ray diffraction and scanning transmission electron microscopy indicate that differences in crystallinity are the likely cause of the lower solubility observed in NaOH. The presence of cellulose degradation products causes an increase in the solubility of Ni by approximately one order of magnitude. The organic compounds significantly increase the rate of Ni transport under advective conditions and show measurable diffusive transport through intact monoliths of the cementitious backfill material.

  2. Multiscale Simulation of Blood Flow in Brain Arteries with an Aneurysm

    SciTech Connect

    Leopold Grinberg; Vitali Morozov; Dmitry A. Fedosov; Joseph Insley; Michael Papka; Kalyan Kumaran; George Karniadakis

    2013-04-24

    Multi-scale modeling of arterial blood flow can shed light on the interaction between events happening at micro- and meso-scales (i.e., adhesion of red blood cells to the arterial wall, clot formation) and at macro-scales (i.e., change in flow patterns due to the clot). Coupled numerical simulations of such multi-scale flow require state-of-the-art computers and algorithms, along with techniques for multi-scale visualizations. This animation presents results of studies used in the development of a multi-scale visualization methodology. First we use streamlines to show the path the flow is taking as it moves through the system, including the aneurysm. Next we investigate the process of thrombus (blood clot) formation, which may be responsible for the rupture of aneurysms, by concentrating on the platelet blood cells, observing as they aggregate on the wall of the aneurysm

  3. Goal-oriented robot navigation learning using a multi-scale space representation.

    PubMed

    Llofriu, M; Tejera, G; Contreras, M; Pelc, T; Fellous, J M; Weitzenfeld, A

    2015-12-01

    There has been extensive research in recent years on the multi-scale nature of hippocampal place cells and entorhinal grid cells encoding which led to many speculations on their role in spatial cognition. In this paper we focus on the multi-scale nature of place cells and how they contribute to faster learning during goal-oriented navigation when compared to a spatial cognition system composed of single scale place cells. The task consists of a circular arena with a fixed goal location, in which a robot is trained to find the shortest path to the goal after a number of learning trials. Synaptic connections are modified using a reinforcement learning paradigm adapted to the place cells multi-scale architecture. The model is evaluated in both simulation and physical robots. We find that larger scale and combined multi-scale representations favor goal-oriented navigation task learning.

  4. Numerical simulation of damage in cementitious materials using a modified approach to the multicutting technique

    NASA Astrophysics Data System (ADS)

    Saad, Pascinthe

    The Linear Elastic Fracture Mechanics approach widely used for damage characterization of ductile materials cannot be accurately used for cementitious composites which undergo a substantial amount of localized microcracking prior to peak load. The Multicutting Technique offers a reasonably sound experimental means of obtaining the size of the damage zone for cementitious, concrete-like materials. The method, however, has many theoretical deficiencies and its sensitivity to experimental errors renders it occasionally unpredictable. The presented work is an attempt to study these deficiencies while providing a means of obtaining the size of the damage zone through the numerical simulation of the Multicutting Technique. Three modifications were made in an attempt to circumvent the deficiencies of the original technique: (1) Nonlinear axial elements are used to represent the localized strain-softening occurring near the cracktip in the introduced numerically based model. (2) A nonlinear crack opening profile is obtained rather than the linear relation assumed in the original theory. This crack opening profile is then used to obtain more adequate cohesive stress relations. (3) The stress redistribution factor is obtained and is found to be a function of the crack length as well as the location where the cut is performed. Results of the introduced model were found to be mesh and loading pattern independent, provided an adequately fine mesh is selected (size of elements < characteristic length) and a relatively small time step is used. Once the dependency on numerical parameters is eliminated with the proper choice of mesh configuration, time step and cohesive stress distribution function, the numerically simulated P-CMOD curve was very similar to the experimentally obtained curve. This similarity tends to validate, to a certain extent, the presented model as a sound, numerically based, means of assessing damage in cementitious composites.

  5. Multiscale photoacoustic microscopy and computed tomography

    PubMed Central

    Wang, Lihong V.

    2009-01-01

    Photoacoustic tomography (PAT) is probably the fastest growing biomedical imaging technology owing to its capability of high-resolution sensing of rich optical contrast in vivo at depths beyond the optical transport mean free path (~1 mm in the skin). Existing high-resolution optical imaging technologies, such as confocal microscopy and two-photon microscopy, have fundamentally impacted biomedicine but cannot reach such depths. Taking advantage of low ultrasonic scattering, PAT indirectly improves tissue transparency by 100 to 1000 fold and consequently enables deeply penetrating functional and molecular imaging at high spatial resolution. Further, PAT holds the promise of in vivo imaging at multiple length scales ranging from subcellular organelles to organs with the same contrast origin, an important application in multiscale systems biology research. PMID:20161535

  6. Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

    SciTech Connect

    Arnold, J.; Kosson, D.S.; Garrabrants, A.; Meeussen, J.C.L.; Sloot, H.A. van der

    2013-02-15

    A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

  7. Effect of Different Cooling Regimes on the Mechanical Properties of Cementitious Composites Subjected to High Temperatures

    PubMed Central

    Yu, Jiangtao; Weng, Wenfang; Yu, Kequan

    2014-01-01

    The influence of different cooling regimes (quenching in water and cooling in air) on the residual mechanical properties of engineered cementitious composite (ECC) subjected to high temperature up to 800°C was discussed in this paper. The ECC specimens are exposed to 100, 200, 400, 600, and 800°C with the unheated specimens for reference. Different cooling regimens had a significant influence on the mechanical properties of postfire ECC specimens. The microstructural characterization was examined before and after exposure to fire deterioration by using scanning electron microscopy (SEM). Results from the microtest well explained the mechanical properties variation of postfire specimens. PMID:25161392

  8. Effect of different cooling regimes on the mechanical properties of cementitious composites subjected to high temperatures.

    PubMed

    Yu, Jiangtao; Weng, Wenfang; Yu, Kequan

    2014-01-01

    The influence of different cooling regimes (quenching in water and cooling in air) on the residual mechanical properties of engineered cementitious composite (ECC) subjected to high temperature up to 800°C was discussed in this paper. The ECC specimens are exposed to 100, 200, 400, 600, and 800°C with the unheated specimens for reference. Different cooling regimens had a significant influence on the mechanical properties of postfire ECC specimens. The microstructural characterization was examined before and after exposure to fire deterioration by using scanning electron microscopy (SEM). Results from the microtest well explained the mechanical properties variation of postfire specimens.

  9. Cost-Effective Cementitious Material Compatible with Yucca Mountain Repository Geochemistry

    SciTech Connect

    Dole, LR

    2004-12-17

    The current plans for the Yucca Mountain (YM) repository project (YMP) use steel structures to stabilize the disposal drifts and connecting tunnels that are collectively over 100 kilometers in length. The potential exist to reduce the underground construction cost by 100s of millions of dollars and improve the repository's performance. These economic and engineering goals can be achieved by using the appropriate cementitious materials to build out these tunnels. This report describes the required properties of YM compatible cements and reviews the literature that proves the efficacy of this approach. This report also describes a comprehensive program to develop and test materials for a suite of underground construction technologies.

  10. Multiscale modelling of nucleosome core particle aggregation

    NASA Astrophysics Data System (ADS)

    Lyubartsev, Alexander P.; Korolev, Nikolay; Fan, Yanping; Nordenskiöld, Lars

    2015-02-01

    The nucleosome core particle (NCP) is the basic building block of chromatin. Under the influence of multivalent cations, isolated mononucleosomes exhibit a rich phase behaviour forming various columnar phases with characteristic NCP-NCP stacking. NCP stacking is also a regular element of chromatin structure in vivo. Understanding the mechanism of nucleosome stacking and the conditions leading to self-assembly of NCPs is still incomplete. Due to the complexity of the system and the need to describe electrostatics properly by including the explicit mobile ions, novel modelling approaches based on coarse-grained (CG) methods at the multiscale level becomes a necessity. In this work we present a multiscale CG computer simulation approach to modelling interactions and self-assembly of solutions of NCPs induced by the presence of multivalent cations. Starting from continuum simulations including explicit three-valent cobalt(III)hexammine (CoHex3+) counterions and 20 NCPs, based on a previously developed advanced CG NCP model with one bead per amino acid and five beads per two DNA base pair unit (Fan et al 2013 PLoS One 8 e54228), we use the inverse Monte Carlo method to calculate effective interaction potentials for a ‘super-CG’ NCP model consisting of seven beads for each NCP. These interaction potentials are used in large-scale simulations of up to 5000 NCPs, modelling self-assembly induced by CoHex3+. The systems of ‘super-CG’ NCPs form a single large cluster of stacked NCPs without long-range order in agreement with experimental data for NCPs precipitated by the three-valent polyamine, spermidine3+.

  11. Multiscale image enhancement of chromosome banding patterns

    NASA Astrophysics Data System (ADS)

    Wu, Qiang; Castleman, Kenneth R.

    1996-10-01

    Visual examination of chromosome banding patterns is an important means of chromosome analysis. Cytogeneticists compare their patient's chromosome image against the prototype normal/abnormal human chromosome banding patterns. Automated chromosome analysis instruments facilitate this by digitally enhancing the chromosome images. Currently available systems employing traditional highpass/bandpass filtering and/or histogram equalization are approximately equivalent to photomicroscopy in their ability to support the detection of band pattern alterations. Improvements in chromosome image display quality, particularly in the detail of the banding pattern, would significantly increase the cost-effectiveness of these systems. In this paper we present our work on the use of multiscale transform and derivative filtering for image enhancement of chromosome banding patterns. A steerable pyramid representation of the chromosome image is generated by a multiscale transform. The derivative filters are designed to detect the bands of a chromosome, and the steerable pyramid transform is chosen based on its desirable properties of shift and rotation invariance. By processing the transform coefficients that correspond to the bands of the chromosome in the pyramid representation, contrast enhancement of the chromosome bands can be achieved with designed flexibility in scale, orientation and location. Compared with existing chromosome image enhancement techniques, this new approach offers the advantage of selective chromosome banding pattern enhancement that allows designated detail analysis. Experimental results indicate improved enhancement capabilities and promise more effective visual aid to comparison of chromosomes to the prototypes and to each other. This will increase the ability of automated chromosome analysis instruments to assist the evaluation of chromosome abnormalities in clinical samples.

  12. Multiscale modelling of nucleosome core particle aggregation.

    PubMed

    Lyubartsev, Alexander P; Korolev, Nikolay; Fan, Yanping; Nordenskiöld, Lars

    2015-02-18

    The nucleosome core particle (NCP) is the basic building block of chromatin. Under the influence of multivalent cations, isolated mononucleosomes exhibit a rich phase behaviour forming various columnar phases with characteristic NCP-NCP stacking. NCP stacking is also a regular element of chromatin structure in vivo. Understanding the mechanism of nucleosome stacking and the conditions leading to self-assembly of NCPs is still incomplete. Due to the complexity of the system and the need to describe electrostatics properly by including the explicit mobile ions, novel modelling approaches based on coarse-grained (CG) methods at the multiscale level becomes a necessity. In this work we present a multiscale CG computer simulation approach to modelling interactions and self-assembly of solutions of NCPs induced by the presence of multivalent cations. Starting from continuum simulations including explicit three-valent cobalt(III)hexammine (CoHex(3+)) counterions and 20 NCPs, based on a previously developed advanced CG NCP model with one bead per amino acid and five beads per two DNA base pair unit (Fan et al 2013 PLoS One 8 e54228), we use the inverse Monte Carlo method to calculate effective interaction potentials for a 'super-CG' NCP model consisting of seven beads for each NCP. These interaction potentials are used in large-scale simulations of up to 5000 NCPs, modelling self-assembly induced by CoHex(3+). The systems of 'super-CG' NCPs form a single large cluster of stacked NCPs without long-range order in agreement with experimental data for NCPs precipitated by the three-valent polyamine, spermidine(3+).

  13. The Adaptive Multi-scale Simulation Infrastructure

    SciTech Connect

    Tobin, William R.

    2015-09-01

    The Adaptive Multi-scale Simulation Infrastructure (AMSI) is a set of libraries and tools developed to support the development, implementation, and execution of general multimodel simulations. Using a minimal set of simulation meta-data AMSI allows for minimally intrusive work to adapt existent single-scale simulations for use in multi-scale simulations. Support for dynamic runtime operations such as single- and multi-scale adaptive properties is a key focus of AMSI. Particular focus has been spent on the development on scale-sensitive load balancing operations to allow single-scale simulations incorporated into a multi-scale simulation using AMSI to use standard load-balancing operations without affecting the integrity of the overall multi-scale simulation.

  14. A theoretical multiscale treatment of protein-protein electron transfer: The ferredoxin/ferredoxin-NADP(+) reductase and flavodoxin/ferredoxin-NADP(+) reductase systems.

    PubMed

    Saen-Oon, Suwipa; Cabeza de Vaca, Israel; Masone, Diego; Medina, Milagros; Guallar, Victor

    2015-12-01

    In the photosynthetic electron transfer (ET) chain, two electrons transfer from photosystem I to the flavin-dependent ferredoxin-NADP(+) reductase (FNR) via two sequential independent ferredoxin (Fd) electron carriers. In some algae and cyanobacteria (as Anabaena), under low iron conditions, flavodoxin (Fld) replaces Fd as single electron carrier. Extensive mutational studies have characterized the protein-protein interaction in FNR/Fd and FNR/Fld complexes. Interestingly, even though Fd and Fld share the interaction site on FNR, individual residues on FNR do not participate to the same extent in the interaction with each of the protein partners, pointing to different electron transfer mechanisms. Despite of extensive mutational studies, only FNR/Fd X-ray structures from Anabaena and maize have been solved; structural data for FNR/Fld remains elusive. Here, we present a multiscale modelling approach including coarse-grained and all-atom protein-protein docking, the QM/MM e-Pathway analysis and electronic coupling calculations, allowing for a molecular and electronic comprehensive analysis of the ET process in both complexes. Our results, consistent with experimental mutational data, reveal the ET in FNR/Fd proceeding through a bridge-mediated mechanism in a dominant protein-protein complex, where transfer of the electron is facilitated by Fd loop-residues 40-49. In FNR/Fld, however, we observe a direct transfer between redox cofactors and less complex specificity than in Fd; more than one orientation in the encounter complex can be efficient in ET. PMID:26385068

  15. Model development of dust emission and heterogeneous chemistry within the Community Multiscale Air Quality modeling system and its application over East Asia

    NASA Astrophysics Data System (ADS)

    Dong, Xinyi; Fu, Joshua S.; Huang, Kan; Tong, Daniel; Zhuang, Guoshun

    2016-07-01

    The Community Multiscale Air Quality (CMAQ) model has been further developed in terms of simulating natural wind-blown dust in this study, with a series of modifications aimed at improving the model's capability to predict the emission, transport, and chemical reactions of dust. The default parameterization of initial threshold friction velocity constants are revised to correct the double counting of the impact of soil moisture in CMAQ by the reanalysis of field experiment data; source-dependent speciation profiles for dust emission are derived based on local measurements for the Gobi and Taklamakan deserts in East Asia; and dust heterogeneous chemistry is also implemented. The improved dust module in the CMAQ is applied over East Asia for March and April from 2006 to 2010. The model evaluation result shows that the simulation bias of PM10 and aerosol optical depth (AOD) is reduced, respectively, from -55.42 and -31.97 % by the original CMAQ to -16.05 and -22.1 % by the revised CMAQ. Comparison with observations at the nearby Gobi stations of Duolun and Yulin indicates that applying a source-dependent profile helps reduce simulation bias for trace metals. Implementing heterogeneous chemistry also results in better agreement with observations for sulfur dioxide (SO2), sulfate (SO42-), nitric acid (HNO3), nitrous oxides (NOx), and nitrate (NO3-). The investigation of a severe dust storm episode from 19 to 21 March 2010 suggests that the revised CMAQ is capable of capturing the spatial distribution and temporal variation of dust. The model evaluation also indicates potential uncertainty within the excessive soil moisture used by meteorological simulation. The mass contribution of fine-mode particles in dust emission may be underestimated by 50 %. The revised CMAQ model provides a useful tool for future studies to investigate the emission, transport, and impact of wind-blown dust over East Asia and elsewhere.

  16. Model development of dust emission and heterogeneous chemistry within the Community Multiscale Air Quality modeling system and its application over East Asia

    NASA Astrophysics Data System (ADS)

    Dong, X.; Fu, J. S.; Huang, K.; Tong, D.

    2015-12-01

    The Community Multiscale Air Quality (CMAQ) model has been further developed in terms of simulating natural wind-blown dust in this study, with a series of modifications aimed at improving the model's capability to predict the emission, transport, and chemical reactions of dust aerosols. The default parameterization of threshold friction velocity constants in the CMAQ are revised to avoid double counting of the impact of soil moisture based on the re-analysis of field experiment data; source-dependent speciation profiles for dust emission are derived based on local measurements for the Gobi and Taklamakan deserts in East Asia; and dust heterogeneous chemistry is implemented to simulate the reactions involving dust aerosol. The improved dust module in the CMAQ was applied over East Asia for March and April from 2006 to 2010. Evaluation against observations has demonstrated that simulation bias of PM10 and aerosol optical depth (AOD) is reduced from -55.42 and -31.97 % in the original CMAQ to -16.05 and -22.1 % in the revised CMAQ, respectively. Comparison with observations at the nearby Gobi stations of Duolun and Yulin indicates that applying a source-dependent profile helps reduce simulation bias for trace metals. Implementing heterogeneous chemistry is also found to result in better agreement with observations for sulfur dioxide (SO2), sulfate (SO42-), nitric acid (HNO3), nitrous oxides (NOx), and nitrate (NO3-). Investigation of a severe dust storm episode from 19 to 21 March 2010 suggests that the revised CMAQ is capable of capturing the spatial distribution and temporal variations of dust aerosols. Model evaluation indicates potential uncertainties within the excessive soil moisture fraction used by meteorological simulation. The mass contribution of fine mode aerosol in dust emission may be underestimated by 50 %. The revised revised CMAQ provides a useful tool for future studies to investigate the emission, transport, and impact of wind-blown dust over East

  17. Peridynamic Multiscale Finite Element Methods

    SciTech Connect

    Costa, Timothy; Bond, Stephen D.; Littlewood, David John; Moore, Stan Gerald

    2015-12-01

    The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the

  18. Implementing Multiscale Fluid Simulations using Multiscale Universal Interface

    NASA Astrophysics Data System (ADS)

    Tang, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George; Crunch Team

    2015-11-01

    The power of multiscale fluid simulations lies in its ability to recover a hierarchical levels of details by choreographing multiple solvers, thus extending the length and time scale accessible given a fixed amount of computing power. However, practical difficulties frequently arise when stitching together solvers which were not designed to be coupled, and would often result in tedious and unsustainable coding effort. The Multiscale Universal Interface (MUI) aims to solve this problem by exposing a small set of generalized programming interfaces that can be dropped into existing solvers with minimal intrusion. Three deployment cases will be given for demonstrating real-world applications of MUI. In the first case we used MUI to implement simulations of polymer-grafted surface in flow using Smoothed Particle Hydrodynamics/Dissipative Particle Dynamics (SPH/DPD) and state variable coupling. In the second case we constructed coupled DPD/Finite Element Method (FEM) simulation of conjugate heat transfer in heterogeneous coolant. In the third case we built hybrid DPD/molecular dynamics (MD) simulations by blending the forces on atoms at interface regions. Supported by the DOE Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) and AFOSR FA9550-12-1-0463. Computer hours at ORNL allocated through INCITE BIP118 and DD102.

  19. Multi-scale Shock Technique

    2009-08-01

    The code to be released is a new addition to the LAMMPS molecular dynamics code. LAMMPS is developed and maintained by Sandia, is publicly available, and is used widely by both natioanl laboratories and academics. The new addition to be released enables LAMMPS to perform molecular dynamics simulations of shock waves using the Multi-scale Shock Simulation Technique (MSST) which we have developed and has been previously published. This technique enables molecular dynamics simulations of shockmore » waves in materials for orders of magnitude longer timescales than the direct, commonly employed approach.« less

  20. Hybrid stochastic simplifications for multiscale gene networks

    PubMed Central

    Crudu, Alina; Debussche, Arnaud; Radulescu, Ovidiu

    2009-01-01

    Background Stochastic simulation of gene networks by Markov processes has important applications in molecular biology. The complexity of exact simulation algorithms scales with the number of discrete jumps to be performed. Approximate schemes reduce the computational time by reducing the number of simulated discrete events. Also, answering important questions about the relation between network topology and intrinsic noise generation and propagation should be based on general mathematical results. These general results are difficult to obtain for exact models. Results We propose a unified framework for hybrid simplifications of Markov models of multiscale stochastic gene networks dynamics. We discuss several possible hybrid simplifications, and provide algorithms to obtain them from pure jump processes. In hybrid simplifications, some components are discrete and evolve by jumps, while other components are continuous. Hybrid simplifications are obtained by partial Kramers-Moyal expansion [1-3] which is equivalent to the application of the central limit theorem to a sub-model. By averaging and variable aggregation we drastically reduce simulation time and eliminate non-critical reactions. Hybrid and averaged simplifications can be used for more effective simulation algorithms and for obtaining general design principles relating noise to topology and time scales. The simplified models reproduce with good accuracy the stochastic properties of the gene networks, including waiting times in intermittence phenomena, fluctuation amplitudes and stationary distributions. The methods are illustrated on several gene network examples. Conclusion Hybrid simplifications can be used for onion-like (multi-layered) approaches to multi-scale biochemical systems, in which various descriptions are used at various scales. Sets of discrete and continuous variables are treated with different methods and are coupled together in a physically justified approach. PMID:19735554

  1. Studies of ancient concrete as analogs of cementitious sealing materials for a repository in tuff

    SciTech Connect

    Roy, D.M.; Langton, C.A.

    1989-03-01

    The durability of ancient cementitious materials has been investigated to provide data applicable to determining the resistance to weathering of concrete materials for sealing a repository for storage of high-level radioactive waste. Because tuff and volcanic ash are used in the concretes in the vicinity of Rome, the results are especially applicable to a waste repository in tuff. Ancient mortars, plasters, and concretes collected from Rome, Ostia, and Cosa dating to the third century BC show remarkable durability. The aggregates used in the mortars, plasters, and concretes included basic volcanic and pyroclastic rocks (including tuff), terra-cotta, carbonates, sands, and volcanic ash. The matrices of ancient cementitious materials have been characterized and classified into four categories: (1) hydraulic hydrated lime and hydrated lime cements, (2) hydraulic aluminous and ferruginous hydrated lime cements ({plus_minus} siliceous components), (3) pozzolana/hydrated lime cements, and (4) gypsum cements. Most of the materials investigated are in category (3). The materials were characterized to elucidate aspects of the technology that produced them and their response to the environmental exposure throughout their centuries of existence. Their remarkable properties are the result of a combination of chemical, mineralogical, and microstructural factors. Their durability was found to be affected by the matrix mineralogy, particle size, and porosity; aggregate type, grading and proportioning; and the methodology of placement. 30 refs.

  2. Sequestration of phosphorus from wastewater by cement-based or alternative cementitious materials.

    PubMed

    Wang, Xinjun; Chen, Jiding; Kong, Yaping; Shi, Xianming

    2014-10-01

    Cement-based and alternative cementitious materials were tested in the laboratory for their capability of removing phosphate from wastewater. The results demonstrated that both Langmuir and Freundlich adsorption isotherms were suitable for describing the adsorption characteristics of these materials. Among the four types of filter media tested, the cement-based mortar A has the highest value of maximum adsorption (30.96 mg g(-1)). The P-bonding energy (KL) and adsorption capacity (K) exhibited a positive correlation with the total content of Al2O3 and Fe2O3 in each mortar. The maximum amount of P adsorbed (Qm) and adsorption intensity (1/n) exhibited a positive correlation with the CaO content in each mortar. For three of them, the P-removal rates were in excess of 94 percent for phosphorus concentrations ranging from 20 to 1000 mg L(-1). The underlying mechanisms were examined using field emission scanning microscopy (FESEM), coupled with energy-dispersive X-ray spectroscopy (EDX) and X-ray powder diffraction (XRD). The results reveal that the removal of phosphate predominantly followed a precipitation mechanism in addition to weak physical interactions between the surface of adsorbent filter media and the metallic salts of phosphate. The use of cement-based or alternative cementitious materials in the form of ground powder shows great promise for developing a cost-effective and environmentally sustainable technology for P-sequestration and for wastewater treatment.

  3. Creep and shrinkage of high performance lightweight concrete: A multi-scale investigation

    NASA Astrophysics Data System (ADS)

    Lopez, Mauricio

    This multi-scale investigation aimed to provide new knowledge and understanding of creep and shrinkage of high performance lightweight concrete (HPLC) by assessing prestress losses in HPLC prestressed members in a large-scale study; by quantifying the effect of the constituent materials and external conditions on creep and shrinkage in a medium-scale study; and by improving the fundamental understanding of creep and shrinkage in a small-scale study. Creep plus shrinkage prestress losses were between two and eight times lower than those estimated for the design standards and approximately 50% of those measured in similar strength normal weight high performance concrete girders. The lower creep and shrinkage exhibited by HPLC was found to be caused by a synergy between the pre-soaked lightweight aggregate and the low water-to-cementitious material ratio matrix. That is, the water contained in the lightweight aggregate contributes to enhance hydration by providing an internal moist curing. The water in the aggregate also contributes to maintain a high internal relative humidity which reduces or eliminates autogenous shrinkage. This higher internal relative humidity also reduces creep by preventing load-induced water migration. Finally, lightweight aggregate exhibits a better elastic compatibility with the paste than normal weight aggregate. This improved elastic matching and the enhanced hydration are believed to reduce peak deformations at the ITZ which further decreases creep and shrinkage.

  4. Peripheral nerve enhancement based on multi-scale Hessian matrix

    NASA Astrophysics Data System (ADS)

    Ma, Xiuli; Li, Hui; Zhou, Xueli; Wan, Wanggen

    2011-06-01

    To improve the precision of nerve segmentation in CT images, a new comparability function is proposed in this paper to enhance the contrast between nerve structure and other surrounding tissues. It is based on nerve's characteristic, i.e. dark tubular structure, and a thorough analysis of the multi-scale Hessian matrix. By comparability function, the gray range of interested nerve structure can be automatically determined, which combines the multi-scale Hessian matrix eigenvalues with intensity information of original nerve CT images. The experimental results show that the improved algorithm can not only enhance the continuous nerve of tubular structure, but also clearly reflect its bifurcations and crossovers. It is very important and significant to the computer-aided disease diagnosis of peripheral nervous system.

  5. Fractal analysis of multiscale spatial autocorrelation among point data

    USGS Publications Warehouse

    De Cola, L.

    1991-01-01

    The analysis of spatial autocorrelation among point-data quadrats is a well-developed technique that has made limited but intriguing use of the multiscale aspects of pattern. In this paper are presented theoretical and algorithmic approaches to the analysis of aggregations of quadrats at or above a given density, in which these sets are treated as multifractal regions whose fractal dimension, D, may vary with phenomenon intensity, scale, and location. The technique is illustrated with Matui's quadrat house-count data, which yield measurements consistent with a nonautocorrelated simulated Poisson process but not with an orthogonal unit-step random walk. The paper concludes with a discussion of the implications of such analysis for multiscale geographic analysis systems. -Author

  6. A Multiscale Wavelet Solver with O( n) Complexity

    NASA Astrophysics Data System (ADS)

    Williams, John R.; Amaratunga, Kevin

    1995-11-01

    In this paper, we use the biorthogonal wavelets recently constructed by Dahlke and Weinreich to implement a highly efficient procedure for solving a certain class of one-dimensional problems, (∂21/∂x21)u = f,I ɛ Z, I > 0. For these problems, the discrete biorthogonal wavelet transform allows us to set up a system of wavelet-Galerkin equations in which the scales are uncoupled, so that a true multiscale solution procedure may be formulated. We prove that the resulting stiffness matrix is in fact an almost perfectly diagonal matrix (the original aim of the construction was to achieve a block diagonal structure) and we show that this leads to an algorithm whose cost is O(n). We also present numerical results which demonstrate that the multiscale biorthogonal wavelet algorithm is superior to the more conventional single scale orthogonal wavelet approach both in terms of speed and in terms of convergence.

  7. Self-cementitious properties of fly ashes from CFBC boilers co-firing coal and high-sulphur petroleum coke

    SciTech Connect

    Sheng Guanghong; Li Qin; Zhai Jianping . E-mail: jpzhai@nju.edu.cn; Li Feihu

    2007-06-15

    Self-cementitious properties of fly ash from circulating fluidized bed combustion boiler co-firing coal and high-sulphur petroleum coke (CPFA) were investigated. CPFA was self-cementitious which was affected by its fineness and chemical compositions, especially the contents of SO{sub 3} and free lime (f-CaO). Higher contents of SO{sub 3} and f-CaO were beneficial to self-cementitious strength; the self-cementitious strength increases with a decrease of its 45 {mu}m sieve residue. The expansive ratio of CPFA hardened paste was high because of generation of ettringite (AFt), which was influenced by its water to binder ratio (W/A), curing style and grinding of the ash. The paste cured in water had the highest expansive ratio, and grinding of CPFA was beneficial to its volume stability. The hydration products of CPFA detected by X-ray diffraction (XRD) and scanning electron microscopy (SEM) were portlandite, gypsum, AFt and hydrated calcium silicate (C-S-H)

  8. Hydration mechanism and leaching behavior of bauxite-calcination-method red mud-coal gangue based cementitious materials.

    PubMed

    Zhang, Na; Li, Hongxu; Liu, Xiaoming

    2016-08-15

    A deep investigation on the hydration mechanism of bauxite-calcination-method red mud-coal gangue based cementitious materials was conducted from viewpoints of hydration products and hydration heat analysis. As a main hydration product, the microstructure of C-A-S-H gel was observed using high resolution transmission electron microscopy. It was found that the C-A-S-H gel is composed of amorphous regions and nanocrystalline regions. Most of regions in the C-A-S-H gel are amorphous with continuous distribution, and the nanocrystalline regions on scale of ∼5nm are dispersed irregularly within the amorphous regions. The hydration heat of red mud-coal gangue based cementitious materials is much lower than that of the ordinary Portland cement. A hydration model was proposed for this kind of cementitious materials, and the hydration process mainly consists of four stages which are dissolution of materials, formation of C-A-S-H gels and ettringite, cementation of hydration products, and polycondensation of C-A-S-H gels. There are no strict boundaries among these four basic stages, and they proceed crossing each other. Moreover, the leaching toxicity tests were also performed to prove that the developed red mud-coal gangue based cementitious materials are environmentally acceptable.

  9. Hydration mechanism and leaching behavior of bauxite-calcination-method red mud-coal gangue based cementitious materials.

    PubMed

    Zhang, Na; Li, Hongxu; Liu, Xiaoming

    2016-08-15

    A deep investigation on the hydration mechanism of bauxite-calcination-method red mud-coal gangue based cementitious materials was conducted from viewpoints of hydration products and hydration heat analysis. As a main hydration product, the microstructure of C-A-S-H gel was observed using high resolution transmission electron microscopy. It was found that the C-A-S-H gel is composed of amorphous regions and nanocrystalline regions. Most of regions in the C-A-S-H gel are amorphous with continuous distribution, and the nanocrystalline regions on scale of ∼5nm are dispersed irregularly within the amorphous regions. The hydration heat of red mud-coal gangue based cementitious materials is much lower than that of the ordinary Portland cement. A hydration model was proposed for this kind of cementitious materials, and the hydration process mainly consists of four stages which are dissolution of materials, formation of C-A-S-H gels and ettringite, cementation of hydration products, and polycondensation of C-A-S-H gels. There are no strict boundaries among these four basic stages, and they proceed crossing each other. Moreover, the leaching toxicity tests were also performed to prove that the developed red mud-coal gangue based cementitious materials are environmentally acceptable. PMID:27131457

  10. Multiscale quantum optical networks

    NASA Astrophysics Data System (ADS)

    Jaroszkiewicz, George

    2007-04-01

    Quantum experiments are described in terms of time-dependent networks of quantum bits, each qubit representing an elementary information gateway. The emphasis is on the signal properties of apparatus rather than on systems under observation (SUOs), with the quantum states of the theory (the labstates) representing the observer's information about the state of their apparatus, rather than of any SUO. The formalism gives an efficient quantum register description related to the formalism of quantum computation. Experiments conventionally described by the PVM and POVM formalisms are treated in identical terms, the formalism providing an efficient modular approach to quantum optics experiments of arbitrary complexity.

  11. Multiscale modeling of polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Sheidaei, Azadeh

    In recent years, polymer nano-composites (PNCs) have increasingly gained more attention due to their improved mechanical, barrier, thermal, optical, electrical and biodegradable properties in comparison with the conventional micro-composites or pristine polymer. With a modest addition of nanoparticles (usually less than 5wt. %), PNCs offer a wide range of improvements in moduli, strength, heat resistance, biodegradability, as well as decrease in gas permeability and flammability. Although PNCs offer enormous opportunities to design novel material systems, development of an effective numerical modeling approach to predict their properties based on their complex multi-phase and multiscale structure is still at an early stage. Developing a computational framework to predict the mechanical properties of PNC is the focus of this dissertation. A computational framework has been developed to predict mechanical properties of polymer nano-composites. In chapter 1, a microstructure inspired material model has been developed based on statistical technique and this technique has been used to reconstruct the microstructure of Halloysite nanotube (HNT) polypropylene composite. This technique also has been used to reconstruct exfoliated Graphene nanoplatelet (xGnP) polymer composite. The model was able to successfully predict the material behavior obtained from experiment. Chapter 2 is the summary of the experimental work to support the numerical work. First, different processing techniques to make the polymer nanocomposites have been reviewed. Among them, melt extrusion followed by injection molding was used to manufacture high density polyethylene (HDPE)---xGnP nanocomposties. Scanning electron microscopy (SEM) also was performed to determine particle size and distribution and to examine fracture surfaces. Particle size was measured from these images and has been used for calculating the probability density function for GNPs in chapter 1. A series of nanoindentation tests have

  12. Multiscale optimization in neural nets.

    PubMed

    Mjolsness, E; Garrett, C D; Miranker, W L

    1991-01-01

    One way to speed up convergence in a large optimization problem is to introduce a smaller, approximate version of the problem at a coarser scale and to alternate between relaxation steps for the fine-scale and coarse-scale problems. Such an optimization method for neural networks governed by quite general objective functions is presented. At the coarse scale, there is a smaller approximating neural net which, like the original net, is nonlinear and has a nonquadratic objective function. The transitions and information flow from fine to coarse scale and back do not disrupt the optimization, and the user need only specify a partition of the original fine-scale variables. Thus, the method can be applied easily to many problems and networks. There is generally about a fivefold improvement in estimated cost under the multiscale method. In the networks to which it was applied, a nontrivial speedup by a constant factor of between two and five was observed, independent of problem size. Further improvements in computational cost are very likely to be available, especially for problem-specific multiscale neural net methods.

  13. Extending the Applicability of the Community Multiscale Air Quality Model to Hemispheric Scales: Motivation, Challenges, and Progress

    EPA Science Inventory

    The adaptation of the Community Multiscale Air Quality (CMAQ) modeling system to simulate O3, particulate matter, and related precursor distributions over the northern hemisphere is presented. Hemispheric simulations with CMAQ and the Weather Research and Forecasting (...

  14. Multiscale Modeling of Particles Embedded in High Speed Flows

    NASA Astrophysics Data System (ADS)

    Davis, Sean; Sen, Oishik; Jacobs, Gustaaf; Udaykumar, H. S.

    2015-06-01

    Problems involving propagation of shock waves through a cloud of particles are inherently multiscale. The system scale is governed by macro-scale conservation equations, which average over solid and fluid phases. The averaging process results in source terms that represent the unresolved momentum exchange between the solid phase and the fluid phase. Typically, such source terms are modeled using empirical correlations derived from physical experiments conducted in a limited parameter space. The focus of the current research is to advance the multiscale modeling of shocked particle-laden gas flows; particle- (i.e. meso-)scale computations are performed to resolve the dynamics of ensembles of particles and closure laws are obtained from the meso-scale for use in the macro-scale equations. Closure models are constructed from meso-scale simulations using the Dynamic Kriging method. The presentation will demonstrate the multiscale approach by connecting meso-scale simulations to an Eulerian-Lagrangian macro-scale model of particle laden flows. The technique is applied to study shock interactions with particle curtains in shock tubes and the results are compared with experimental data in such systems. We gratefully acknowledge the financial support by the Air Force Office of Scientific Research under Grant Number FA9550-12-1-0115 and the National Science Foundation under grant number DMS-115631.

  15. Multiscale geometric modeling of macromolecules II: Lagrangian representation

    PubMed Central

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-01-01

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

  16. New developments in the multiscale hybrid energy density computational method

    NASA Astrophysics Data System (ADS)

    Min, Sun; Shanying, Wang; Dianwu, Wang; Chongyu, Wang

    2016-01-01

    Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. (i) The theoretical method for the determination of the weight parameter in the energy coupling equation of transition region in multiscale model is given via constructing underdetermined equations. (ii) By applying the developed mathematical method, the weight parameters have been given and used to treat some problems in homogeneous charge density systems, which are directly related with multiscale science. (iii) A theoretical algorithm has also been presented for treating non-homogeneous systems of charge density. The key to the theoretical computational methods is the decomposition of the electrostatic energy in the total energy of density functional theory for probing the spanning characteristic at atomic scale, layer by layer, by which the choice of chemical elements and the defect complex effect can be understood deeply. (iv) The numerical computational program and design have also been presented. Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

  17. The Parameterization of Top-Hat Particle Sensors with Microchannel-Plate-Based Detection Systems and its Application to the Fast Plasma Investigation on NASA's Magnetospheric MultiScale Mission

    NASA Technical Reports Server (NTRS)

    Gershman, Daniel J.; Gliese, Ulrik; Dorelli, John C.; Avanov, Levon A.; Barrie, Alexander C.; Chornay, Dennis J.; MacDonald, Elizabeth A.; Holland, Matthew P.; Pollock, Craig J.

    2015-01-01

    The most common instrument for low energy plasmas consists of a top-hat electrostatic analyzer geometry coupled with a microchannel-plate (MCP)-based detection system. While the electrostatic optics for such sensors are readily simulated and parameterized during the laboratory calibration process, the detection system is often less well characterized. Furthermore, due to finite resources, for large sensor suites such as the Fast Plasma Investigation (FPI) on NASA's Magnetospheric Multiscale (MMS) mission, calibration data are increasingly sparse. Measurements must be interpolated and extrapolated to understand instrument behavior for untestable operating modes and yet sensor inter-calibration is critical to mission success. To characterize instruments from a minimal set of parameters we have developed the first comprehensive mathematical description of both sensor electrostatic optics and particle detection systems. We include effects of MCP efficiency, gain, scattering, capacitive crosstalk, and charge cloud spreading at the detector output. Our parameterization enables the interpolation and extrapolation of instrument response to all relevant particle energies, detector high voltage settings, and polar angles from a small set of calibration data. We apply this model to the 32 sensor heads in the Dual Electron Sensor (DES) and 32 sensor heads in the Dual Ion Sensor (DIS) instruments on the 4 MMS observatories and use least squares fitting of calibration data to extract all key instrument parameters. Parameters that will evolve in flight, namely MCP gain, will be determined daily through application of this model to specifically tailored in-flight calibration activities, providing a robust characterization of sensor suite performance throughout mission lifetime. Beyond FPI, our model provides a valuable framework for the simulation and evaluation of future detection system designs and can be used to maximize instrument understanding with minimal calibration

  18. X-ray computed microtomography of three-dimensional microcracks and self-healing in engineered cementitious composites

    NASA Astrophysics Data System (ADS)

    Fan, Shuai; Li, Mo

    2015-01-01

    Concrete cracking and deterioration can potentially be addressed by innovative self-healing cementitious materials, which can autogenously regain transport properties and mechanical characteristics after the damage self-healing process. For the development of such materials, it is crucial, but challenging, to precisely characterize the extent and quality of self-healing due to a variety of factors. This study adopted x-ray computed microtomography (μCT) to derive three-dimensional morphological data on microcracks before and after healing in engineered cementitious composite (ECC). Scanning electron microscope and energy dispersive x-ray spectroscopy were also used to morphologically and chemically analyze the healing products. This work showed that the evolution of the microcrack 3D structure due to self-healing in cementitious materials can be directly and quantitatively characterized by μCT. A detailed description of the μCT image analysis method applied to ECC self-healing was presented. The results revealed that the self-healing extent and rate strongly depended on initial surface crack width, with smaller crack width favoring fast and robust self-healing. We also found that the self-healing mechanism in cementitious materials is dependent on crack depth. The region of a crack close to the surface (from 0 to around 50-150 μm below the surface) can be sealed quickly with crystalline precipitates. However, at greater depths the healing process inside the crack takes a significantly longer time to occur, with healing products more likely resulting from continued hydration and pozzolanic reactions. Finally, the μCT method was compared with other self-healing characterization methods, with discussions on its importance in generating new scientific knowledge for the development of robust self-healing cementitious materials.

  19. Multiscale plasmonic metamaterials

    NASA Astrophysics Data System (ADS)

    Henzie, Joel

    Metallic nanostructures are able to confine and manipulate electromagnetic fields because light can couple to free electron oscillations called surface plasmons (SPs). These plasmons exist on metal surfaces as localized (short-range) or as propagating (long-range) modes depending upon the size and geometry of the nanostructure. This dichotomy is primarily an issue of scale that has largely been studied with sample geometries dominated by one type of plasmon mode. We believe this difference in length scale provides a unique opportunity to design new plasmonic nanostructures with effective, tunable optical properties by organizing metallic building blocks over multiple length scales. This approach takes advantage of both propagating and confined plasmon modes in the same nanoscale system, with tunable coupling between different SPs. This dissertation describes a new set of techniques for high-throughput nanofabrication based on soft lithography. We have generated metallic structures that expand on the fundamental science of surface plasmons, and our major observations include: (i) metallic pyramids with nanoscale tips that exhibit multipolar optical resonances depending on the direction and polarization of the incident light. (ii) SP standing waves between microscale arrays of nanoscale holes that enhance light transmission through the holes by a factor of 8X. (iii) Plasmonic metamaterials that exhibit optical properties by changing the lattice spacings of subwavelength nanohole arrays. (iv) Ultra-narrow, hybridized plasmon resonances and far-field beaming with finite-arrays of nanoholes. Such unique metallic structures have established a better understanding of the relationship between localized and propagating SPs and now enable an accessible platform for applied studies in nanophotonics and single molecule imaging.

  20. Navigation Operations for the Magnetospheric Multiscale Mission

    NASA Technical Reports Server (NTRS)

    Long, Anne; Farahmand, Mitra; Carpenter, Russell

    2015-01-01

    The Magnetospheric Multiscale (MMS) mission employs four identical spinning spacecraft flying in highly elliptical Earth orbits. These spacecraft will fly in a series of tetrahedral formations with separations of less than 10 km. MMS navigation operations use onboard navigation to satisfy the mission definitive orbit and time determination requirements and in addition to minimize operations cost and complexity. The onboard navigation subsystem consists of the Navigator GPS receiver with Goddard Enhanced Onboard Navigation System (GEONS) software, and an Ultra-Stable Oscillator. The four MMS spacecraft are operated from a single Mission Operations Center, which includes a Flight Dynamics Operations Area (FDOA) that supports MMS navigation operations, as well as maneuver planning, conjunction assessment and attitude ground operations. The System Manager component of the FDOA automates routine operations processes. The GEONS Ground Support System component of the FDOA provides the tools needed to support MMS navigation operations. This paper provides an overview of the MMS mission and associated navigation requirements and constraints and discusses MMS navigation operations and the associated MMS ground system components built to support navigation-related operations.

  1. Multiscale modeling of polyisoprene on graphite

    SciTech Connect

    Pandey, Yogendra Narayan; Brayton, Alexander; Doxastakis, Manolis; Burkhart, Craig; Papakonstantopoulos, George J.

    2014-02-07

    The local dynamics and the conformational properties of polyisoprene next to a smooth graphite surface constructed by graphene layers are studied by a multiscale methodology. First, fully atomistic molecular dynamics simulations of oligomers next to the surface are performed. Subsequently, Monte Carlo simulations of a systematically derived coarse-grained model generate numerous uncorrelated structures for polymer systems. A new reverse backmapping strategy is presented that reintroduces atomistic detail. Finally, multiple extensive fully atomistic simulations with large systems of long macromolecules are employed to examine local dynamics in proximity to graphite. Polyisoprene repeat units arrange close to a parallel configuration with chains exhibiting a distribution of contact lengths. Efficient Monte Carlo algorithms with the coarse-grain model are capable of sampling these distributions for any molecular weight in quantitative agreement with predictions from atomistic models. Furthermore, molecular dynamics simulations with well-equilibrated systems at all length-scales support an increased dynamic heterogeneity that is emerging from both intermolecular interactions with the flat surface and intramolecular cooperativity. This study provides a detailed comprehensive picture of polyisoprene on a flat surface and consists of an effort to characterize such systems in atomistic detail.

  2. Production, characterization, and mechanical behavior of cementitious materials incorporating carbon nanofibers

    NASA Astrophysics Data System (ADS)

    Yazdanbakhsh, Ardavan

    Carbon nanotubes (CNTs) and carbon nanofirbers (CNFs) have excellent properties (mechanical, electrical, magnetic, etc.), which can make them effective nanoreinforcements for improving the properties of materials. The incorporation of CNT/Fs in a wide variety of materials has been researched extensively in the past decade. However, the past study on the reinforcement of cementitious materials with these nanofilaments has been limited. The findings from those studies indicate that CNT/Fs did not significantly improve the mechanical properties of cementitious materials. Two major parameters influence the effectiveness of any discrete inclusion in composite material: The dispersion quality of the inclusions and the interfacial bond between the inclusions and matrix. The main focus of this dissertation is on the dispersion factor, and consists of three main tasks: First a novel thermodynamic-based method for dispersion quantification was developed. Second, a new method, incorporating the utilization of silica fume, was devised to improve and stabilize the dispersion of CNFs in cement paste. And third, the dispersion quantification method and mechanical testing were employed to measure, compare, and correlate the dispersion and mechanical properties of CNF-incorporated cement paste produced with the conventional and new methods. Finally, the main benefits, including the increase in strength and resistance to shrinkage cracking, obtained from the utilization of CNFs in cement paste will be presented. The investigations and the corresponding results show that the novel dispersion quantification method can be implemented easily to perform a wide variety of tasks ranging from measuring dispersion of nanofilaments in composites using their optical/SEM micrographs as input, to measuring the effect of cement particle/clump size on the dispersion of nano inclusions in cement paste. It was found that cement particles do not affect the dispersion of nano inclusions in cement

  3. Multi-scale interactions in Dictyostelium discoideum aggregation

    NASA Astrophysics Data System (ADS)

    Dixon, James A.; Kelty-Stephen, Damian G.

    2012-12-01

    Cellular aggregation is essential for a wide range of phenomena in developmental biology, and a crucial event in the life-cycle of Dictyostelium discoideum. The current manuscript presents an analysis of multi-scale interactions involved in D. discoideum aggregation and non-aggregation events. The multi-scale fractal dimensions of a sequence of microscope images were used to estimate changing structure at different spatial scales. Three regions showing aggregation and three showing non-aggregation were considered. The results showed that both aggregation and non-aggregation regions were strongly multi-fractal. Analyses of the over-time relationships among nine scales of the generalized dimension, D(q), were conducted using vector autoregression and vector error-correction models. Both types of regions showed evidence that across-scale interactions serve to maintain the equilibrium of the system. Aggregation and non-aggregation regions also showed different patterns of effects of individual scales on other scales. Specifically, aggregation regions showed greater effects of both the smallest and largest scales on the smaller scale structures. The results suggest that multi-scale interactions are responsible for maintaining and altering the cellular structures during aggregation.

  4. Multiscale and cross entropy analysis of auroral and polar cap indices during geomagnetic storms

    NASA Astrophysics Data System (ADS)

    Gopinath, Sumesh; Prince, P. R.

    2016-01-01

    In order to improve general monoscale information entropy methods like permutation and sample entropy in characterizing the irregularity of complex magnetospheric system, it is necessary to extend these entropy metrics to a multiscale paradigm. We propose novel multiscale and cross entropy method for the analysis of magnetospheric proxies such as auroral and polar cap indices during geomagnetic disturbance times. Such modified entropy metrics are certainly advantageous in classifying subsystems such as individual contributions of auroral electrojets and field aligned currents to high latitude magnetic perturbations during magnetic storm and polar substorm periods. We show that the multiscale entropy/cross entropy of geomagnetic indices vary with scale factor. These variations can be attributed to changes in multiscale dynamical complexity of non-equilibrium states present in the magnetospheric system. These types of features arise due to imbalance in injection and dissipation rates of energy with variations in magnetospheric response to solar wind. We also show that the multiscale entropy values of time series decrease during geomagnetic storm times which reveals an increase in temporal correlations as the system gradually shifts to a more orderly state. Such variations in entropy values can be interpreted as the signature of dynamical phase transitions which arise at the periods of geomagnetic storms and substorms that confirms several previously found results regarding emergence of cooperative dynamics, self-organization and non-Markovian nature of magnetosphere during disturbed periods.

  5. Petascale computation performance of lightweight multiscale cardiac models using hybrid programming models.

    PubMed

    Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

    2011-01-01

    Future multiscale and multiphysics models must use the power of high performance computing (HPC) systems to enable research into human disease, translational medical science, and treatment. Previously we showed that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message passing processes (e.g. the message passing interface (MPI)) with multithreading (e.g. OpenMP, POSIX pthreads). The objective of this work is to compare the performance of such hybrid programming models when applied to the simulation of a lightweight multiscale cardiac model. Our results show that the hybrid models do not perform favourably when compared to an implementation using only MPI which is in contrast to our results using complex physiological models. Thus, with regards to lightweight multiscale cardiac models, the user may not need to increase programming complexity by using a hybrid programming approach. However, considering that model complexity will increase as well as the HPC system size in both node count and number of cores per node, it is still foreseeable that we will achieve faster than real time multiscale cardiac simulations on these systems using hybrid programming models.

  6. Multiscale modelling in immunology: a review.

    PubMed

    Cappuccio, Antonio; Tieri, Paolo; Castiglione, Filippo

    2016-05-01

    One of the greatest challenges in biomedicine is to get a unified view of observations made from the molecular up to the organism scale. Towards this goal, multiscale models have been highly instrumental in contexts such as the cardiovascular field, angiogenesis, neurosciences and tumour biology. More recently, such models are becoming an increasingly important resource to address immunological questions as well. Systematic mining of the literature in multiscale modelling led us to identify three main fields of immunological applications: host-virus interactions, inflammatory diseases and their treatment and development of multiscale simulation platforms for immunological research and for educational purposes. Here, we review the current developments in these directions, which illustrate that multiscale models can consistently integrate immunological data generated at several scales, and can be used to describe and optimize therapeutic treatments of complex immune diseases.

  7. Collaborating for Multi-Scale Chemical Science

    SciTech Connect

    William H. Green

    2006-07-14

    Advanced model reduction methods were developed and integrated into the CMCS multiscale chemical science simulation software. The new technologies were used to simulate HCCI engines and burner flames with exceptional fidelity.

  8. Multiscale modeling for materials design: Molecular square catalysts

    NASA Astrophysics Data System (ADS)

    Majumder, Debarshi

    In a wide variety of materials, including a number of heterogeneous catalysts, the properties manifested at the process scale are a consequence of phenomena that occur at different time and length scales. Recent experimental developments allow materials to be designed precisely at the nanometer scale. However, the optimum design of such materials requires capabilities to predict the properties at the process scale based on the phenomena occurring at the relevant scales. The thesis research reported here addresses this need to develop multiscale modeling strategies for the design of new materials. As a model system, a new system of materials called molecular squares was studied in this research. Both serial and parallel multiscale strategies and their components were developed as parts of this work. As a serial component, a parameter estimation tool was developed that uses a hierarchical protocol and consists of two different search elements: a global search method implemented using a genetic algorithm that is capable of exploring large parametric space, and a local search method using gradient search techniques that accurately finds the optimum in a localized space. As an essential component of parallel multiscale modeling, different standard as well as specialized computational fluid dynamics (CFD) techniques were explored and developed in order to identify a technique that is best suited to solve a membrane reactor model employing layered films of molecular squares as the heterogeneous catalyst. The coupled set of non-linear partial differential equations (PDEs) representing the continuum model was solved numerically using three different classes of methods: a split-step method using finite difference (FD); domain decomposition in two different forms, one involving three overlapping subdomains and the other involving a gap-tooth scheme; and the multiple-timestep method that was developed in this research. The parallel multiscale approach coupled continuum

  9. Multiscale modelling of DNA mechanics

    NASA Astrophysics Data System (ADS)

    Dršata, Tomáš; Lankaš, Filip

    2015-08-01

    Mechanical properties of DNA are important not only in a wide range of biological processes but also in the emerging field of DNA nanotechnology. We review some of the recent developments in modeling these properties, emphasizing the multiscale nature of the problem. Modern atomic resolution, explicit solvent molecular dynamics simulations have contributed to our understanding of DNA fine structure and conformational polymorphism. These simulations may serve as data sources to parameterize rigid base models which themselves have undergone major development. A consistent buildup of larger entities involving multiple rigid bases enables us to describe DNA at more global scales. Free energy methods to impose large strains on DNA, as well as bead models and other approaches, are also briefly discussed.

  10. MULTISCALE MODELING OF POLYMER NANOCOMPOSITES

    SciTech Connect

    Maiti, A

    2007-07-16

    Polymer Nanocomposites are an important class of nanomaterials with potential applications including but not limited to structural and cushion materials, electromagnetic and heat shields, conducting plastics, sensors, and catalysts for various chemical and bio processes. Success in most such applications hinges on molecular-level control of structure and assembly, and a deep understanding of how the overall morphology of various components and the interfaces between them affect the composite properties at the macroscale. The length and time-scales associated with such assemblies are prohibitively large for a full atomistic modeling. Instead we adopt a multiscale methodology in which atomic-level interactions between different components of a composite are incorporated into a coarse-grained simulation of the mesoscale morphology, which is then represented on a numerical grid and the macroscopic properties computed using a finite-elements method.

  11. Effects of Using Silica Fume and Polycarboxylate-Type Superplasticizer on Physical Properties of Cementitious Grout Mixtures for Semiflexible Pavement Surfacing

    PubMed Central

    Karim, Mohamed Rehan; Mahmud, Hilmi; Mashaan, Nuha S.; Katman, Herdayati; Husain, Nadiah Md

    2014-01-01

    Semi-flexible pavement surfacing is a composite pavement that utilizes the porous pavement structure of the flexible bituminous pavement, which is subsequently grouted with appropriate cementitious materials. This study aims to investigate the compressive strength, flexural strength, and workability performance of cementitious grout. The grout mixtures are designed to achieve high strength and maintain flow properties in order to allow the cement slurries to infiltrate easily through unfilled compacted skeletons. A paired-sample t-test was carried out to find out whether water/cement ratio, SP percentages, and use of silica fume influence the cementitious grout performance. The findings showed that the replacement of 5% silica fume with an adequate amount of superplasticizer and water/cement ratio was beneficial in improving the properties of the cementitious grout. PMID:24526911

  12. Effects of using silica fume and polycarboxylate-type superplasticizer on physical properties of cementitious grout mixtures for semiflexible pavement surfacing.

    PubMed

    Koting, Suhana; Karim, Mohamed Rehan; Mahmud, Hilmi; Mashaan, Nuha S; Ibrahim, Mohd Rasdan; Katman, Herdayati; Husain, Nadiah Md

    2014-01-01

    Semi-flexible pavement surfacing is a composite pavement that utilizes the porous pavement structure of the flexible bituminous pavement, which is subsequently grouted with appropriate cementitious materials. This study aims to investigate the compressive strength, flexural strength, and workability performance of cementitious grout. The grout mixtures are designed to achieve high strength and maintain flow properties in order to allow the cement slurries to infiltrate easily through unfilled compacted skeletons. A paired-sample t-test was carried out to find out whether water/cement ratio, SP percentages, and use of silica fume influence the cementitious grout performance. The findings showed that the replacement of 5% silica fume with an adequate amount of superplasticizer and water/cement ratio was beneficial in improving the properties of the cementitious grout.

  13. Effects of using silica fume and polycarboxylate-type superplasticizer on physical properties of cementitious grout mixtures for semiflexible pavement surfacing.

    PubMed

    Koting, Suhana; Karim, Mohamed Rehan; Mahmud, Hilmi; Mashaan, Nuha S; Ibrahim, Mohd Rasdan; Katman, Herdayati; Husain, Nadiah Md

    2014-01-01

    Semi-flexible pavement surfacing is a composite pavement that utilizes the porous pavement structure of the flexible bituminous pavement, which is subsequently grouted with appropriate cementitious materials. This study aims to investigate the compressive strength, flexural strength, and workability performance of cementitious grout. The grout mixtures are designed to achieve high strength and maintain flow properties in order to allow the cement slurries to infiltrate easily through unfilled compacted skeletons. A paired-sample t-test was carried out to find out whether water/cement ratio, SP percentages, and use of silica fume influence the cementitious grout performance. The findings showed that the replacement of 5% silica fume with an adequate amount of superplasticizer and water/cement ratio was beneficial in improving the properties of the cementitious grout. PMID:24526911

  14. A concurrent multiscale micromorphic molecular dynamics

    SciTech Connect

    Li, Shaofan Tong, Qi

    2015-04-21

    In this work, we have derived a multiscale micromorphic molecular dynamics (MMMD) from first principle to extend the (Andersen)-Parrinello-Rahman molecular dynamics to mesoscale and continuum scale. The multiscale micromorphic molecular dynamics is a con-current three-scale dynamics that couples a fine scale molecular dynamics, a mesoscale micromorphic dynamics, and a macroscale nonlocal particle dynamics together. By choosing proper statistical closure conditions, we have shown that the original Andersen-Parrinello-Rahman molecular dynamics is the homogeneous and equilibrium case of the proposed multiscale micromorphic molecular dynamics. In specific, we have shown that the Andersen-Parrinello-Rahman molecular dynamics can be rigorously formulated and justified from first principle, and its general inhomogeneous case, i.e., the three scale con-current multiscale micromorphic molecular dynamics can take into account of macroscale continuum mechanics boundary condition without the limitation of atomistic boundary condition or periodic boundary conditions. The discovered multiscale scale structure and the corresponding multiscale dynamics reveal a seamless transition from atomistic scale to continuum scale and the intrinsic coupling mechanism among them based on first principle formulation.

  15. Multiscale coupling of molecular dynamics and peridynamics

    NASA Astrophysics Data System (ADS)

    Tong, Qi; Li, Shaofan

    2016-10-01

    We propose a multiscale computational model to couple molecular dynamics and peridynamics. The multiscale coupling model is based on a previously developed multiscale micromorphic molecular dynamics (MMMD) theory, which has three dynamics equations at three different scales, namely, microscale, mesoscale, and macroscale. In the proposed multiscale coupling approach, we divide the simulation domain into atomistic region and macroscale region. Molecular dynamics is used to simulate atom motions in atomistic region, and peridynamics is used to simulate macroscale material point motions in macroscale region, and both methods are nonlocal particle methods. A transition zone is introduced as a messenger to pass the information between the two regions or scales. We employ the "supercell" developed in the MMMD theory as the transition element, which is named as the adaptive multiscale element due to its ability of passing information from different scales, because the adaptive multiscale element can realize both top-down and bottom-up communications. We introduce the Cauchy-Born rule based stress evaluation into state-based peridynamics formulation to formulate atomistic-enriched constitutive relations. To mitigate the issue of wave reflection on the interface, a filter is constructed by switching on and off the MMMD dynamic equations at different scales. Benchmark tests of one-dimensional (1-D) and two-dimensional (2-D) wave propagations from atomistic region to macro region are presented. The mechanical wave can transit through the interface smoothly without spurious wave deflections, and the filtering process is proven to be efficient.

  16. Strain and Cracking Surveillance in Engineered Cementitious Composites by Piezoresistive Properties

    NASA Astrophysics Data System (ADS)

    Yu, Jia Huan; Hou, Tsung Chan

    2010-12-01

    Engineered Cementitious Composites (ECCs) are novel cement-based ultraductile materials which is crack resistant and undergoes strain hardening when loaded in tension. In particular, the material is piezoresistive with changes in electrical resistance correlated with mechanical strain. The unique electrical properties of ECC render them a smart material capable of measuring strain and the evolution of structural damage. In this study, the conductivity of the material prior to loading was quantified. The piezoresistive property of ECC structural specimens are exploited to directly measure levels of cracking pattern and tensile strain. Changes in ECC electrical resistance are measured using a four-probe direct-current (DC) resistance test as specimens are monotonically loaded in tension. The change in piezoresistivity correlates the cracking and strain in the ECC matrix and results in a nonlinear change in the material conductivity.

  17. Hydration mechanism of a cementitious material prepared with Si-Mn slag

    NASA Astrophysics Data System (ADS)

    Zhang, Xu-Fang; Ni, Wen; Wu, Jun-Yu; Zhu, Li-Ping

    2011-04-01

    A cementitious material was prepared by mixing 80wt% Si-Mn slag powder, 10wt% lime, and 10wt% anhydrite. The compressive strength of mortar samples reaches 51.48 MPa after 28 d curing. The analyses of X-ray diffraction (XRD) and scanning electron microscopy (SEM) show that much ettringite is formed in the sample cured for 3 d, and C-S-H gel increases rapidly during subsequent curing. Nuclear magnetic resonance (NMR) analysis of 29Si and 27Al and infrared spectroscopy (IR) analysis show that aluminum decomposition from tetrahedral network of the slag glass and its subsequent migration and re-combination play an important role in the process of hydration and strength development of the samples.

  18. DIRECT DISPOSAL OF A RADIOACTIVE ORGANIC WASTE IN A CEMENTITIOUS WASTE FORM

    SciTech Connect

    Zamecnik, J; Alex Cozzi, A; Russell Eibling, R; Jonathan Duffey, J; Kim Crapse, K

    2007-02-22

    The disposition of {sup 137}Cs-containing tetraphenylborate (TPB) waste at the Savannah River Site (SRS) by immobilization in the cementitious waste form, or grout called ''saltstone'' was proposed as a straightforward, cost-effective method for disposal. Tests were performed to determine benzene release due to TPB decomposition in saltstone at several initial TPB concentrations and temperatures. The benzene release rates for simulants and radioactive samples were generally comparable at the same conditions. Saltstone monoliths with only the top surface exposed to air at 25 and 55 C at any tetraphenylborate concentration or at any temperature with 30 mg/L TPB gave insignificant releases of benzene. At higher TPB concentrations and 75 and 95 C, the benzene release could result in exceeding the Lower Flammable Limit in the saltstone vaults.

  19. Transient Thermal Response of Lightweight Cementitious Composites Made with Polyurethane Foam Waste

    NASA Astrophysics Data System (ADS)

    Kismi, M.; Poullain, P.; Mounanga, P.

    2012-07-01

    The development of low-cost lightweight aggregate (LWA) mortars and concretes presents many advantages, especially in terms of lightness and thermal insulation performances of structures. Low-cost LWA mainly comes from the recovery of vegetal or plastic wastes. This article focuses on the characterization of the thermal conductivity of innovative lightweight cementitious composites made with fine particles of rigid polyurethane (PU) foam waste. Five mortars were prepared with various mass substitution rates of cement with PU-foam particles. Their thermal conductivity was measured with two transient methods: the heating-film method and the hot-disk method. The incorporation of PU-foam particles causes a reduction of up to 18 % of the mortar density, accompanied by a significant improvement of the thermal insulating performance. The effect of segregation on the thermal properties of LWA mortars due to the differences of density among the cementitious matrix, sand, and LWA has also been quantified. The application of the hot-disk method reveals a gradient of thermal conductivity along the thickness of the specimens, which could be explained by a non-uniform repartition of fine PU-foam particles and mineral aggregates within the mortars. The results show a spatial variation of the thermal conductivity of the LWA mortars, ranging from 9 % to 19 %. However, this variation remains close to or even lower than that observed on a normal weight aggregate mortar. Finally, a self-consistent approach is proposed to estimate the thermal conductivity of PU-foam cement-based composites.

  20. Characterization of bond in steel-fiber-reinforced cementitious composites under tensile loads

    SciTech Connect

    Namur, G.G.

    1989-01-01

    Investigated was bonding in steel fiber reinforced cementitious composites, like fiber-reinforced mortar. The study was basically analytical, consisting primarily of two analytical models that predict the bond shear stress distribution at the interface between the fibers and the matrix, as well as the normal tensile distributions in the fibers and the matrix. The two models were, however, based on separate assumptions. While the first model assumed a known bond shear stress versus slip relationship at the interface between the fibers and the surrounding matrix, the second model was based on a mechanism of force transfer between the fibers and the matrix, hence circumventing the rather complex task of determining the relationship between the bond stress and the slip for the given type of fiber and matrix. Some applications to this second model, such as the bond modulus, the debonding stress, the length of the debonded zone were also investigated. A theoretical study of the pull-out process of steel fibers in cementitious matrices is included. The problem consisted of relating an idealized bond shear stress versus slip relationship to a pull-out curve. The derivation as based on the assumption that this relationship is linearly elastic-perfectly frictional, and then extended to the case of a fiction decaying linearly with the slip. The problem was subdivided into two components: a primal problem, whereby the pull-out curve is predicted from an assumed bond shear stress-slip relationship, and the dual problem, in which an experimentally obtained pull-out curve was used to predict the interfacial constitutive model, namely the bond-slip curve. Model application was illustrated by three examples of pull-out tests. The pull-out curves obtained in the laboratory, which featured the pull-out force versus the end slip of the pull-out fiber, were used to predict bond shear stress-slip relationships.

  1. A Posteriori Analysis of Adaptive Multiscale Operator Decomposition Methods for Multiphysics Problems

    SciTech Connect

    Donald Estep; Michael Holst; Simon Tavener

    2010-02-08

    This project was concerned with the accurate computational error estimation for numerical solutions of multiphysics, multiscale systems that couple different physical processes acting across a large range of scales relevant to the interests of the DOE. Multiscale, multiphysics models are characterized by intimate interactions between different physics across a wide range of scales. This poses significant computational challenges addressed by the proposal, including: (1) Accurate and efficient computation; (2) Complex stability; and (3) Linking different physics. The research in this project focused on Multiscale Operator Decomposition methods for solving multiphysics problems. The general approach is to decompose a multiphysics problem into components involving simpler physics over a relatively limited range of scales, and then to seek the solution of the entire system through some sort of iterative procedure involving solutions of the individual components. MOD is a very widely used technique for solving multiphysics, multiscale problems; it is heavily used throughout the DOE computational landscape. This project made a major advance in the analysis of the solution of multiscale, multiphysics problems.

  2. A mathematical framework for multiscale science and engineering : the variational multiscale method and interscale transfer operators.

    SciTech Connect

    Wagner, Gregory John; Collis, Samuel Scott; Templeton, Jeremy Alan; Lehoucq, Richard B.; Parks, Michael L.; Jones, Reese E.; Silling, Stewart Andrew; Scovazzi, Guglielmo; Bochev, Pavel B.

    2007-10-01

    This report is a collection of documents written as part of the Laboratory Directed Research and Development (LDRD) project A Mathematical Framework for Multiscale Science and Engineering: The Variational Multiscale Method and Interscale Transfer Operators. We present developments in two categories of multiscale mathematics and analysis. The first, continuum-to-continuum (CtC) multiscale, includes problems that allow application of the same continuum model at all scales with the primary barrier to simulation being computing resources. The second, atomistic-to-continuum (AtC) multiscale, represents applications where detailed physics at the atomistic or molecular level must be simulated to resolve the small scales, but the effect on and coupling to the continuum level is frequently unclear.

  3. Multi-Scale Multi-Dimensional Ion Battery Performance Model

    2007-05-07

    The Multi-Scale Multi-Dimensional (MSMD) Lithium Ion Battery Model allows for computer prediction and engineering optimization of thermal, electrical, and electrochemical performance of lithium ion cells with realistic geometries. The model introduces separate simulation domains for different scale physics, achieving much higher computational efficiency compared to the single domain approach. It solves a one dimensional electrochemistry model in a micro sub-grid system, and captures the impacts of macro-scale battery design factors on cell performance and materialmore » usage by solving cell-level electron and heat transports in a macro grid system.« less

  4. Multi-scale satellite assessment of water availability and agricultural drought: from field to global scales

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper discusses a multi-scale remote sensing modeling system that fuses flux assessments generated with TIR imagery collected by multiple satellite platforms to estimate daily surface fluxes from field to global scales. The Landsat series of polar orbiting systems has collected TIR imagery at 6...

  5. [Automatic Classification of Epileptic Electroencephalogram Signal Based on Improved Multivariate Multiscale Entropy].

    PubMed

    Xu, Yonghong; Cui, Jie; Hong, Wenxue; Liang, Huijuan

    2015-04-01

    Traditional sample entropy fails to quantify inherent long-range dependencies among real data. Multiscale sample entropy (MSE) can detect intrinsic correlations in data, but it is usually used in univariate data. To generalize this method for multichannel data, we introduced multivariate multiscale entropy into multiscale signals as a reflection of the nonlinear dynamic correlation. But traditional multivariate multiscale entropy has a large quantity of computation and costs a large period of time and space for more channel system, so that it can not reflect the correlation between variables timely and accurately. In this paper, therefore, an improved multivariate multiscale entropy embeds on all variables at the same time, instead of embedding on a single variable as in the traditional methods, to solve the memory overflow while the number of channels rise, and it is more suitable for the actual multivariate signal analysis. The method was tested in simulation data and Bonn epilepsy dataset. The simulation results showed that the proposed method had a good performance to distinguish correlation data. Bonn epilepsy dataset experiment also showed that the method had a better classification accuracy among the five data set, especially with an accuracy of 100% for data collection of Z and S.

  6. A tensor-product-kernel framework for multiscale neural activity decoding and control.

    PubMed

    Li, Lin; Brockmeier, Austin J; Choi, John S; Francis, Joseph T; Sanchez, Justin C; Príncipe, José C

    2014-01-01

    Brain machine interfaces (BMIs) have attracted intense attention as a promising technology for directly interfacing computers or prostheses with the brain's motor and sensory areas, thereby bypassing the body. The availability of multiscale neural recordings including spike trains and local field potentials (LFPs) brings potential opportunities to enhance computational modeling by enriching the characterization of the neural system state. However, heterogeneity on data type (spike timing versus continuous amplitude signals) and spatiotemporal scale complicates the model integration of multiscale neural activity. In this paper, we propose a tensor-product-kernel-based framework to integrate the multiscale activity and exploit the complementary information available in multiscale neural activity. This provides a common mathematical framework for incorporating signals from different domains. The approach is applied to the problem of neural decoding and control. For neural decoding, the framework is able to identify the nonlinear functional relationship between the multiscale neural responses and the stimuli using general purpose kernel adaptive filtering. In a sensory stimulation experiment, the tensor-product-kernel decoder outperforms decoders that use only a single neural data type. In addition, an adaptive inverse controller for delivering electrical microstimulation patterns that utilizes the tensor-product kernel achieves promising results in emulating the responses to natural stimulation. PMID:24829569

  7. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

    SciTech Connect

    Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; Hammond, Glenn E.

    2015-06-01

    Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, or system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application

  8. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

    DOE PAGESBeta

    Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; Hammond, Glenn E.

    2015-06-01

    Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, ormore » system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application

  9. A test method for determining adhesion forces and Hamaker constants of cementitious materials using atomic force microscopy

    SciTech Connect

    Lomboy, Gilson; Sundararajan, Sriram; Wang Kejin; Subramaniam, Shankar

    2011-11-15

    A method for determining Hamaker constant of cementitious materials is presented. The method involved sample preparation, measurement of adhesion force between the tested material and a silicon nitride probe using atomic force microscopy in dry air and in water, and calculating the Hamaker constant using appropriate contact mechanics models. The work of adhesion and Hamaker constant were computed from the pull-off forces using the Johnson-Kendall-Roberts and Derjagin-Muller-Toropov models. Reference materials with known Hamaker constants (mica, silica, calcite) and commercially available cementitious materials (Portland cement (PC), ground granulated blast furnace slag (GGBFS)) were studied. The Hamaker constants of the reference materials obtained are consistent with those published by previous researchers. The results indicate that PC has a higher Hamaker constant than GGBFS. The Hamaker constant of PC in water is close to the previously predicted value C{sub 3}S, which is attributed to short hydration time ({<=} 45 min) used in this study.

  10. Exploration on the biotechnological aspect of the ureolytic bacteria for the production of the cementitious materials--a review.

    PubMed

    Sarayu, K; Iyer, Nagesh R; Murthy, A Ramachandra

    2014-03-01

    Biomineralization is a process that leads to the formation of minerals using the biologically or biotechnologically mediated route. Calcium carbonate is one such biomineral that is secreted by the ureolytic bacteria which contributes for the strengthening and improvement of cementitious and sandy materials. It is a new and innovative area in the geotechnological engineering and structural engineering due to its wide range of implications in strengthening of soil, sand, stone, and cementitious materials. The shape and size of the calcium carbonate particle vary with the strain of the bacterium used, and it is species specific. This paper aims in the critical review of the mechanism of calcium carbonate precipitation by the bacterium, various bacteria involved, and the useful outputs of the technique of biomineralization. Based on the critical review, it also recommends the future development and research in the field to develop a technology that can strengthen the existing and the proposed structures.

  11. Effect of fiber volume fraction on the off-crack-plane fracture energy in strain-hardening engineered cementitious composites

    SciTech Connect

    Maalej, M.; Hashida, Toshiyuki; Li, V.C.

    1995-12-01

    In this paper, the results of an experimental study on the effect of fiber volume fraction on the off-crack-plane fracture energy in a strain-hardening engineered cementitious composite (ECC) are presented. Unlike the well-known quasi-brittle behavior of fiber-reinforced concrete, ECC exhibits quasi-ductile response by developing a large damage zone prior to fracture localization. In the damage zone, the material is microcracked but continues to strain-harden locally. The areal dimension of the damage zone has been observed to be on the order of 1,000 cm{sup 2} in double cantilever beam specimens. The energy absorption of the off-crack-plane inelastic deformation process has been measured to be more than 50% of the total fracture energy of up to 34 kJ/m{sup 2}. This magnitude of fracture energy is the highest ever reported for a fiber cementitious composite.

  12. PERFORMANCE AND DIAGNOSTIC EVALUATION OF OZONE PREDICTIONS BY THE ETA-COMMUNITY MULTISCALE AIR QUALITY FORECAST SYSTEM DURING THE 2002 NEW ENGLAND AIR QUALITY STUDY

    EPA Science Inventory

    A real-time air quality forecasting system (Eta-CMAQ model suite) has been developed by linking the NCEP Eta model to the U.S. EPA CMAQ model. This work presents results from the application of the Eta-CMAQ modeling system for forecasting O3 over the northeastern U.S d...

  13. Development of multiscale analysis and some applications

    NASA Astrophysics Data System (ADS)

    Wang, Lipo

    2014-11-01

    For most complex systems the interaction of different scales is among the most interesting and challenging features. Typically different scale regimes have different physical properties. The commonly used analysis approaches such as structure function and Fourier analysis have their respective limitations, for instance the mixing of large and small scale information, i.e. the so-called infrared and ultraviolet effects. To make improvement in this regard, a new method, segment structure analysis (SSA), has been developed to study the multiscale statistics. Such method can detect the regime scaling based on the conditional extremal points, depicting the geometrical features directly in physical space. From standard test cases (e.g. fractal Brownian motion) to real turbulence data, results show that SSA can appropriately distinguish the different scale effects. A successful application is the scaling of the Lagrangian velocity structure function. This long-time controversial topic has been confirmed using the present method. In principle SSA can generally be applied to various problems.

  14. Structurally Governed Cell Mechanotransduction through Multiscale Modeling

    NASA Astrophysics Data System (ADS)

    Kang, John; Puskar, Kathleen M.; Ehrlicher, Allen J.; Leduc, Philip R.; Schwartz, Russell S.

    2015-02-01

    Mechanotransduction has been divided into mechanotransmission, mechanosensing, and mechanoresponse, although how a cell performs all three functions using the same set of structural components is still highly debated. Here, we bridge the gap between emerging molecular and systems-level understandings of mechanotransduction through a multiscale model linking these three phases. Our model incorporates a discrete network of actin filaments and associated proteins that responds to stretching through geometric relaxation. We assess three potential activating mechanisms at mechanosensitive crosslinks as inputs to a mixture model of molecular release and benchmark each using experimental data of mechanically-induced Rho GTPase FilGAP release from actin-filamin crosslinks. Our results suggest that filamin-FilGAP mechanotransduction response is best explained by a bandpass mechanism favoring release when crosslinking angles fall outside of a specific range. Our model further investigates the difference between ordered versus disordered networks and finds that a more disordered actin network may allow a cell to more finely tune control of molecular release enabling a more robust response.

  15. Multiscale fingerprinting of neuronal functional connectivity

    PubMed Central

    Song, Gang; Tin, Chung; Poon, Chi-Sang

    2014-01-01

    SUMMARY Current cellular-based connectomics approaches aim to delineate the functional or structural organizations of mammalian brain circuits through neuronal activity mapping and/or axonal tracing. To discern possible connectivity between functionally identified neurons in widely distributed brain circuits, reliable and efficient network-based approaches of cross-registering or cross-correlating such functional-structural data are essential. Here, a novel cross-correlation approach that exploits multiple timing-specific, response-specific and cell-specific neuronal characteristics as coincident fingerprint markers at the systems, network and cellular levels is proposed. Application of this multiscale temporal-cellular coincident fingerprinting assay to the respiratory central pattern generator network in rats revealed a descending excitatory pathway with characteristic activity pattern and projecting from a distinct neuronal population in pons to its counterparts in medulla that control the post-inspiratory phase of the respiratory rhythm important for normal breathing, airway protection and respiratory-vocalization coordination. This enabling neurotracing approach may prove valuable for functional connectivity mapping of other brain circuits. PMID:25056933

  16. Magnetotellurics as a multiscale geophysical exploration method

    NASA Astrophysics Data System (ADS)

    Carbonari, Rolando; D'Auria, Luca; Di Maio, Rosa; Petrillo, Zaccaria

    2016-04-01

    Magnetotellurics (MT) is a geophysical method based on the use of natural electromagnetic signals to define subsurface electrical resistivity structure through electromagnetic induction. MT waves are generated in the Earth's atmosphere and magnetosphere by a range of physical processes, such as magnetic storms, micropulsations, lightning activity. Since the underground MT wave propagation is of diffusive type, the longer is the wavelength (i.e. the lower the wave frequency) the deeper will be the propagation depth. Considering the frequency band commonly used in MT prospecting (10-4 Hz to 104 Hz), the investigation depth ranges from few hundred meters to hundreds of kilometers. This means that magnetotellurics is inherently a multiscale method and, thus, appropriate for applications at different scale ranging from aquifer system characterization to petroleum and geothermal research. In this perspective, the application of the Wavelet transform to the MT data analysis could represent an excellent tool to emphasize characteristics of the MT signal at different scales. In this note, the potentiality of such an approach is studied. In particular, we show that the use of a Discrete Wavelet (DW) decomposition of measured MT time-series data allows to retrieve robust information about the subsoil resistivity over a wide range of spatial (depth) scales, spanning up to 5 orders of magnitude. Furthermore, the application of DWs to MT data analysis has proven to be a flexible tool for advanced data processing (e.g. non-linear filtering, denoising and clustering).

  17. Multiscale agent-based consumer market modeling.

    SciTech Connect

    North, M. J.; Macal, C. M.; St. Aubin, J.; Thimmapuram, P.; Bragen, M.; Hahn, J.; Karr, J.; Brigham, N.; Lacy, M. E.; Hampton, D.; Decision and Information Sciences; Procter & Gamble Co.

    2010-05-01

    Consumer markets have been studied in great depth, and many techniques have been used to represent them. These have included regression-based models, logit models, and theoretical market-level models, such as the NBD-Dirichlet approach. Although many important contributions and insights have resulted from studies that relied on these models, there is still a need for a model that could more holistically represent the interdependencies of the decisions made by consumers, retailers, and manufacturers. When the need is for a model that could be used repeatedly over time to support decisions in an industrial setting, it is particularly critical. Although some existing methods can, in principle, represent such complex interdependencies, their capabilities might be outstripped if they had to be used for industrial applications, because of the details this type of modeling requires. However, a complementary method - agent-based modeling - shows promise for addressing these issues. Agent-based models use business-driven rules for individuals (e.g., individual consumer rules for buying items, individual retailer rules for stocking items, or individual firm rules for advertizing items) to determine holistic, system-level outcomes (e.g., to determine if brand X's market share is increasing). We applied agent-based modeling to develop a multi-scale consumer market model. We then conducted calibration, verification, and validation tests of this model. The model was successfully applied by Procter & Gamble to several challenging business problems. In these situations, it directly influenced managerial decision making and produced substantial cost savings.

  18. Interpretation of leaching data for cementitious waste forms using analytical solutions based on mass transport theory and empiricism

    SciTech Connect

    Spence, R.D.; Godbee, H.W.; Tallent, O.K.; Nestor, C.W. Jr. )

    1989-01-01

    The analysis of leaching data using analytical solutions based on mass transport theory and empiricism is presented. The waste forms leached to generate the data used in this analysis were prepared with a simulated radioactive waste slurry with traces of potassium ion, manganese ions, carbonate ions, phosphate ions, and sulfate ions solidified with several blends of cementitious materials. Diffusion coefficients were estimated from the results of ANS - 16.1 tests. Data of fraction leached versus time is presented and discussed.

  19. Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    NASA Technical Reports Server (NTRS)

    Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite while the effect on the axial properties is shown to be insignificant.

  20. Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    NASA Technical Reports Server (NTRS)

    Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  1. Mechanical Properties of Graphene Nanoplatelet Carbon Fiber Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    NASA Technical Reports Server (NTRS)

    Hadden, Cameron M.; Klimek-McDonald, Danielle R.; Pineda, Evan J.; King, Julie A.; Reichanadter, Alex M.; Miskioglu, Ibrahim; Gowtham, S.; Odegard, Gregory M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  2. A Multiscale Model of Cardiovascular System Including an Immersed Whole Heart in the Cases of Normal and Ventricular Septal Defect (VSD).

    PubMed

    Lee, Wanho; Jung, Eunok

    2015-07-01

    A mathematical and computational model combining the heart and circulatory system has been developed to understand the hemodynamics of circulation under normal conditions and ventricular septal defect (VSD). The immersed boundary method has been introduced to describe the interaction between the moving two-dimensional heart and intracardiac blood flow. The whole-heart model is governed by the Navier-Stokes system; this system is combined with a multi-compartment model of circulation using pressure-flow relations and the linearity of the discretized Navier-Stokes system. We investigate the velocity field, flowmeters, and pressure-volume loop in both normal and VSD cases. Simulation results show qualitatively good agreements with others found in the literature. This model, combining the heart and circulation, is useful for understanding the complex, hemodynamic mechanisms involved in normal circulation and cardiac diseases.

  3. A Multiscale Model of Cardiovascular System Including an Immersed Whole Heart in the Cases of Normal and Ventricular Septal Defect (VSD).

    PubMed

    Lee, Wanho; Jung, Eunok

    2015-07-01

    A mathematical and computational model combining the heart and circulatory system has been developed to understand the hemodynamics of circulation under normal conditions and ventricular septal defect (VSD). The immersed boundary method has been introduced to describe the interaction between the moving two-dimensional heart and intracardiac blood flow. The whole-heart model is governed by the Navier-Stokes system; this system is combined with a multi-compartment model of circulation using pressure-flow relations and the linearity of the discretized Navier-Stokes system. We investigate the velocity field, flowmeters, and pressure-volume loop in both normal and VSD cases. Simulation results show qualitatively good agreements with others found in the literature. This model, combining the heart and circulation, is useful for understanding the complex, hemodynamic mechanisms involved in normal circulation and cardiac diseases. PMID:26223734

  4. Electrical percolation threshold of cementitious composites possessing self-sensing functionality incorporating different carbon-based materials

    NASA Astrophysics Data System (ADS)

    Al-Dahawi, Ali; Haroon Sarwary, Mohammad; Öztürk, Oğuzhan; Yıldırım, Gürkan; Akın, Arife; Şahmaran, Mustafa; Lachemi, Mohamed

    2016-10-01

    An experimental study was carried out to understand the electrical percolation thresholds of different carbon-based nano- and micro-scale materials in cementitious composites. Multi-walled carbon nanotubes (CNTs), graphene nanoplatelets (GNPs) and carbon black (CB) were selected as the nano-scale materials, while 6 and 12 mm long carbon fibers (CF6 and CF12) were used as the micro-scale carbon-based materials. After determining the percolation thresholds of different electrical conductive materials, mechanical properties and piezoresistive properties of specimens produced with the abovementioned conductive materials at percolation threshold were investigated under uniaxial compressive loading. Results demonstrate that regardless of initial curing age, the percolation thresholds of CNT, GNP, CB and CFs in ECC mortar specimens were around 0.55%, 2.00%, 2.00% and 1.00%, respectively. Including different carbon-based conductive materials did not harm compressive strength results; on the contrary, it improved overall values. All cementitious composites produced with carbon-based materials, with the exception of the control mixtures, exhibited piezoresistive behavior under compression, which is crucial for sensing capability. It is believed that incorporating the sensing attribute into cementitious composites will enhance benefits for sustainable civil infrastructures.

  5. The Influence of Nano-Fe3O4 on the Microstructure and Mechanical Properties of Cementitious Composites

    NASA Astrophysics Data System (ADS)

    Sikora, Pawel; Horszczaruk, Elzbieta; Cendrowski, Krzysztof; Mijowska, Ewa

    2016-04-01

    In the last decade, nanotechnology has been gathering a spectacular amount of attention in the field of building materials. The incorporation of nanosized particles in a small amount to the building materials can influence their properties significantly. And it can contribute to the creation of novel and sustainable structures. In this work, the effect of nano-Fe3O4 as an admixture (from 1 to 5 wt.% in mass of the cement) on the mechanical and microstructural properties of cementitious composites has been characterised. The study showed that Fe3O4 nanoparticles acted as a filler which improved the microstructure of a cementitious composite and reduced its total porosity, thus increasing the density of the composite. The presence of nanomagnetite did not affect the main hydration products and the rate of cement hydration. In addition, the samples containing nanomagnetite exhibited compressive strength improvement (up to 20 %). The study showed that 3 wt.% of nano-Fe3O4 in the cementitious composite was the optimal amount to improve both its mechanical and microstructural properties.

  6. The Influence of Nano-Fe3O4 on the Microstructure and Mechanical Properties of Cementitious Composites.

    PubMed

    Sikora, Pawel; Horszczaruk, Elzbieta; Cendrowski, Krzysztof; Mijowska, Ewa

    2016-12-01

    In the last decade, nanotechnology has been gathering a spectacular amount of attention in the field of building materials. The incorporation of nanosized particles in a small amount to the building materials can influence their properties significantly. And it can contribute to the creation of novel and sustainable structures. In this work, the effect of nano-Fe3O4 as an admixture (from 1 to 5 wt.% in mass of the cement) on the mechanical and microstructural properties of cementitious composites has been characterised. The study showed that Fe3O4 nanoparticles acted as a filler which improved the microstructure of a cementitious composite and reduced its total porosity, thus increasing the density of the composite. The presence of nanomagnetite did not affect the main hydration products and the rate of cement hydration. In addition, the samples containing nanomagnetite exhibited compressive strength improvement (up to 20 %). The study showed that 3 wt.% of nano-Fe3O4 in the cementitious composite was the optimal amount to improve both its mechanical and microstructural properties.

  7. Multiscale modelling of saliva secretion.

    PubMed

    Sneyd, James; Crampin, Edmund; Yule, David

    2014-11-01

    We review a multiscale model of saliva secretion, describing in brief how the model is constructed and what we have so far learned from it. The model begins at the level of inositol trisphosphate receptors (IPR), and proceeds through the cellular level (with a model of acinar cell calcium dynamics) to the multicellular level (with a model of the acinus), finally to a model of a saliva production unit that includes an acinus and associated duct. The model at the level of the entire salivary gland is not yet completed. Particular results from the model so far include (i) the importance of modal behaviour of IPR, (ii) the relative unimportance of Ca(2+) oscillation frequency as a controller of saliva secretion, (iii) the need for the periodic Ca(2+) waves to be as fast as possible in order to maximise water transport, (iv) the presence of functional K(+) channels in the apical membrane increases saliva secretion, (v) the relative unimportance of acinar spatial structure for isotonic water transport, (vi) the prediction that duct cells are highly depolarised, (vii) the prediction that the secondary saliva takes at least 1mm (from the acinus) to reach ionic equilibrium. We end with a brief discussion of future directions for the model, both in construction and in the study of scientific questions.

  8. MULTISCALE DISCRETIZATION OF SHAPE CONTOURS

    SciTech Connect

    Prasad, L.; Rao, R.

    2000-09-01

    We present an efficient multi-scale scheme to adaptively approximate the continuous (or densely sampled) contour of a planar shape at varying resolutions. The notion of shape is intimately related to the notion of contour, and the efficient representation of the contour of a shape is vital to a computational understanding of the shape. Any polygonal approximation of a planar smooth curve is equivalent to a piecewise constant approximation of the parameterized X and Y coordinate functions of a discrete point set obtained by densely sampling the curve. Using the Haar wavelet transform for the piecewise approximation yields a hierarchical scheme in which the size of the approximating point set is traded off against the morphological accuracy of the approximation. Our algorithm compresses the representation of the initial shape contour to a sparse sequence of points in the plane defining the vertices of the shape's polygonal approximation. Furthermore, it is possible to control the overall resolution of the approximation by a single, scale-independent parameter.

  9. Multi-scale Material Appearance

    NASA Astrophysics Data System (ADS)

    Wu, Hongzhi

    Modeling and rendering the appearance of materials is important for a diverse range of applications of computer graphics - from automobile design to movies and cultural heritage. The appearance of materials varies considerably at different scales, posing significant challenges due to the sheer complexity of the data, as well the need to maintain inter-scale consistency constraints. This thesis presents a series of studies around the modeling, rendering and editing of multi-scale material appearance. To efficiently render material appearance at multiple scales, we develop an object-space precomputed adaptive sampling method, which precomputes a hierarchy of view-independent points that preserve multi-level appearance. To support bi-scale material appearance design, we propose a novel reflectance filtering algorithm, which rapidly computes the large-scale appearance from small-scale details, by exploiting the low-rank structures of Bidirectional Visible Normal Distribution Functions and pre-rotated Bidirectional Reflectance Distribution Functions in the matrix formulation of the rendering algorithm. This approach can guide the physical realization of appearance, as well as the modeling of real-world materials using very sparse measurements. Finally, we present a bi-scale-inspired high-quality general representation for material appearance described by Bidirectional Texture Functions. Our representation is at once compact, easily editable, and amenable to efficient rendering.

  10. Multiscale Modeling of Hematologic Disorders

    SciTech Connect

    Fedosov, Dmitry A.; Pivkin, Igor; Pan, Wenxiao; Dao, Ming; Caswell, Bruce; Karniadakis, George E.

    2012-01-28

    Parasitic infectious diseases and other hereditary hematologic disorders are often associated with major changes in the shape and viscoelastic properties of red blood cells (RBCs). Such changes can disrupt blood flow and even brain perfusion, as in the case of cerebral malaria. Modeling of these hematologic disorders requires a seamless multiscale approach, where blood cells and blood flow in the entire arterial tree are represented accurately using physiologically consistent parameters. In this chapter, we present a computational methodology based on dissipative particle dynamics (DPD) which models RBCs as well as whole blood in health and disease. DPD is a Lagrangian method that can be derived from systematic coarse-graining of molecular dynamics but can scale efficiently up to small arteries and can also be used to model RBCs down to spectrin level. To this end, we present two complementary mathematical models for RBCs and describe a systematic procedure on extracting the relevant input parameters from optical tweezers and microfluidic experiments for single RBCs. We then use these validated RBC models to predict the behavior of whole healthy blood and compare with experimental results. The same procedure is applied to modeling malaria, and results for infected single RBCs and whole blood are presented.

  11. Multiscale modelling of evolving foams

    NASA Astrophysics Data System (ADS)

    Saye, R. I.; Sethian, J. A.

    2016-06-01

    We present a set of multi-scale interlinked algorithms to model the dynamics of evolving foams. These algorithms couple the key effects of macroscopic bubble rearrangement, thin film drainage, and membrane rupture. For each of the mechanisms, we construct consistent and accurate algorithms, and couple them together to work across the wide range of space and time scales that occur in foam dynamics. These algorithms include second order finite difference projection methods for computing incompressible fluid flow on the macroscale, second order finite element methods to solve thin film drainage equations in the lamellae and Plateau borders, multiphase Voronoi Implicit Interface Methods to track interconnected membrane boundaries and capture topological changes, and Lagrangian particle methods for conservative liquid redistribution during rearrangement and rupture. We derive a full set of numerical approximations that are coupled via interface jump conditions and flux boundary conditions, and show convergence for the individual mechanisms. We demonstrate our approach by computing a variety of foam dynamics, including coupled evolution of three-dimensional bubble clusters attached to an anchored membrane and collapse of a foam cluster.

  12. Improved Detection System Description and New Method for Accurate Calibration of Micro-Channel Plate Based Instruments and Its Use in the Fast Plasma Investigation on NASA's Magnetospheric MultiScale Mission

    NASA Technical Reports Server (NTRS)

    Gliese, U.; Avanov, L. A.; Barrie, A. C.; Kujawski, J. T.; Mariano, A. J.; Tucker, C. J.; Chornay, D. J.; Cao, N. T.; Gershman, D. J.; Dorelli, J. C.; Zeuch, M. A.; Pollock, C. J.; Jacques, A. D.

    2015-01-01

    The Fast Plasma Investigation (FPI) on NASAs Magnetospheric MultiScale (MMS) mission employs 16 Dual Electron Spectrometers (DESs) and 16 Dual Ion Spectrometers (DISs) with 4 of each type on each of 4 spacecraft to enable fast (30 ms for electrons; 150 ms for ions) and spatially differentiated measurements of the full 3D particle velocity distributions. This approach presents a new and challenging aspect to the calibration and operation of these instruments on ground and in flight. The response uniformity, the reliability of their calibration and the approach to handling any temporal evolution of these calibrated characteristics all assume enhanced importance in this application, where we attempt to understand the meaning of particle distributions within the ion and electron diffusion regions of magnetically reconnecting plasmas. Traditionally, the micro-channel plate (MCP) based detection systems for electrostatic particle spectrometers have been calibrated using the plateau curve technique. In this, a fixed detection threshold is set. The detection system count rate is then measured as a function of MCP voltage to determine the MCP voltage that ensures the count rate has reached a constant value independent of further variation in the MCP voltage. This is achieved when most of the MCP pulse height distribution (PHD) is located at higher values (larger pulses) than the detection system discrimination threshold. This method is adequate in single-channel detection systems and in multi-channel detection systems with very low crosstalk between channels. However, in dense multi-channel systems, it can be inadequate. Furthermore, it fails to fully describe the behavior of the detection system and individually characterize each of its fundamental parameters. To improve this situation, we have developed a detailed phenomenological description of the detection system, its behavior and its signal, crosstalk and noise sources. Based on this, we have devised a new detection

  13. Report of the proceedings of the Colloquium and Workshop on Multiscale Coupled Modeling

    NASA Technical Reports Server (NTRS)

    Koch, Steven E. (Editor)

    1993-01-01

    The Colloquium and Workshop on Multiscale Coupled Modeling was held for the purpose of addressing modeling issues of importance to planning for the Cooperative Multiscale Experiment (CME). The colloquium presentations attempted to assess the current ability of numerical models to accurately simulate the development and evolution of mesoscale cloud and precipitation systems and their cycling of water substance, energy, and trace species. The primary purpose of the workshop was to make specific recommendations for the improvement of mesoscale models prior to the CME, their coupling with cloud, cumulus ensemble, hydrology, air chemistry models, and the observational requirements to initialize and verify these models.

  14. Multi-scale investigation of tensile creep of ultra-high performance concrete for bridge applications

    NASA Astrophysics Data System (ADS)

    Garas Yanni, Victor Youssef

    Ultra-high performance concrete (UHPC) is relatively a new generation of concretes optimized at the nano and micro-scales to provide superior mechanical and durability properties compared to conventional and high performance concretes. Improvements in UHPC are achieved through: limiting the water-to-cementitious materials ratio (i.e., w/cm ≤ 0.20), optimizing particle packing, eliminating coarse aggregate, using specialized materials, and implementing high temperature and high pressure curing regimes. In addition, and randomly dispersed and short fibers are typically added to enhance the material's tensile and flexural strength, ductility, and toughness. There is a specific interest in using UHPC for precast prestressed bridge girders because it has the potential to reduce maintenance costs associated with steel and conventional concrete girders, replace functionally obsolete or structurally deficient steel girders without increasing the weight or the depth of the girder, and increase bridge durability to between 75 and 100 years. UHPC girder construction differs from that of conventional reinforced concrete in that UHPC may not need transverse reinforcement due to the high tensile and shear strengths of the material. Before bridge designers specify such girders without using shear reinforcement, the long-term tensile performance of the material must be characterized. This multi-scale study provided new data and understanding of the long-term tensile performance of UHPC by assessing the effect of thermal treatment, fiber content, and stress level on the tensile creep in a large-scale study, and by characterizing the fiber-cementitious matrix interface at different curing regimes through nanoindentation and scanning electron microscopy (SEM) in a nano/micro-scale study. Tensile creep of UHPC was more sensitive to investigated parameters than tensile strength. Thermal treatment decreased tensile creep by about 60% after 1 year. Results suggested the possibility of

  15. Combining micromagnetism and magnetostatic Maxwell equations for multiscale magnetic simulations☆

    PubMed Central

    Bruckner, Florian; Vogler, Christoph; Bergmair, Bernhard; Huber, Thomas; Fuger, Markus; Suess, Dieter; Feischl, Michael; Fuehrer, Thomas; Page, Marcus; Praetorius, Dirk

    2013-01-01

    Magnetostatic Maxwell equations and the Landau–Lifshitz–Gilbert (LLG) equation are combined to a multiscale method, which allows to extend the problem size of traditional micromagnetic simulations. By means of magnetostatic Maxwell equations macroscopic regions can be handled in an averaged and stationary sense, whereas the LLG allows to accurately describe domain formation as well as magnetization dynamics in some microscopic subregions. The two regions are coupled by means of their strayfield and the combined system is solved by an optimized time integration scheme. PMID:24092951

  16. Expected Navigation Flight Performance for the Magnetospheric Multiscale (MMS) Mission

    NASA Technical Reports Server (NTRS)

    Olson, Corwin; Wright, Cinnamon; Long, Anne

    2012-01-01

    The Magnetospheric Multiscale (MMS) mission consists of four formation-flying spacecraft placed in highly eccentric elliptical orbits about the Earth. The primary scientific mission objective is to study magnetic reconnection within the Earth s magnetosphere. The baseline navigation concept is the independent estimation of each spacecraft state using GPS pseudorange measurements (referenced to an onboard Ultra Stable Oscillator) and accelerometer measurements during maneuvers. State estimation for the MMS spacecraft is performed onboard each vehicle using the Goddard Enhanced Onboard Navigation System, which is embedded in the Navigator GPS receiver. This paper describes the latest efforts to characterize expected navigation flight performance using upgraded simulation models derived from recent analyses.

  17. Combining micromagnetism and magnetostatic Maxwell equations for multiscale magnetic simulations.

    PubMed

    Bruckner, Florian; Vogler, Christoph; Bergmair, Bernhard; Huber, Thomas; Fuger, Markus; Suess, Dieter; Feischl, Michael; Fuehrer, Thomas; Page, Marcus; Praetorius, Dirk

    2013-10-01

    Magnetostatic Maxwell equations and the Landau-Lifshitz-Gilbert (LLG) equation are combined to a multiscale method, which allows to extend the problem size of traditional micromagnetic simulations. By means of magnetostatic Maxwell equations macroscopic regions can be handled in an averaged and stationary sense, whereas the LLG allows to accurately describe domain formation as well as magnetization dynamics in some microscopic subregions. The two regions are coupled by means of their strayfield and the combined system is solved by an optimized time integration scheme. PMID:24092951

  18. Ten organising principles for coupling in multiphysics and multiscale models.

    SciTech Connect

    Larson, J. W.; Mathematics and Computer Science; Australian National Univ.; Univ. of Chicago

    2009-01-01

    Computational science faces new challenges posed by multiphysics and multiscale, or more generally put, coupled models. These systems are composites formed from separate subsystem models that interact via data exchanges. These data dependencies pose a coupling problem, and on distributed-memory computers, a parallel coupling problem. This paper presents a definition of terms and a set of organizing principles for the coupling and parallel coupling problems. It is meant as a first step towards creating a theory of coupled models. These principles are then employed in a case study of a coupled climate model and offer remarkable insight into its structure.

  19. Multiscale monitoring of interface failure of brittle coating/ductile substrate systems: A non-destructive evaluation method combined digital image correlation with acoustic emission

    NASA Astrophysics Data System (ADS)

    Mao, W. G.; Wu, D. J.; Yao, W. B.; Zhou, M.; Lu, C.

    2011-10-01

    In this paper, we proposed a non-destructive evaluation method combined digital image correlation w