On the Interaction between Superabsorbent Hydrogels and Cementitious Materials

NASA Astrophysics Data System (ADS)

Farzanian, Khashayar

Autogenous shrinkage induced cracking is a major concern in high performance concretes (HPC), which are produced with low water to cement ratios. Internal curing to maintain high relative humidity in HPC with the use of an internal water reservoir has proven effective in mitigating autogenous shrinkage in HPC. Superabsorbent polymers (SAP) or hydrogels have received increasing attention as an internal curing agent in recent years. A key advantage of SAP is its versatility in size distribution and absorption/desorption characteristics, which allow it to be adapted to specific mix designs. Understanding the behavior of superabsorbent hydrogels in cementitious materials is critical for accurate design of internal curing. The primary goal of this study is to fundamentally understand the interaction between superabsorbent hydrogels and cementitious materials. In the first step, the effect of chemical and mechanical conditions on the absorption of hydrogels is investigated. In the second step, the desorption of hydrogels in contact with porous cementitious materials is examined to aid in understanding the mechanisms of water release from superabsorbent hydrogels (SAP) into cementitious materials. The dependence of hydrogel desorption on the microstructure of cementitious materials and relative humidity is studied. It is shown that the capillary forces developed at the interface between the hydrogel and cementitious materials increased the desorption of the hydrogels. The size of hydrogels is shown to influence desorption, beyond the known size dependence of bulk diffusion, through debonding from the cementitious matrix, thereby decreasing the effect of the Laplace pressure on desorption. In the third step, the desorption of hydrogels synthesized with varied chemical compositions in cementitious materials are investigated. The absorption, chemical structure and mechanical response of hydrogels swollen in a cement mixture are studied. The effect of the capillary forces on

Rough Set Approach to Incomplete Multiscale Information System

PubMed Central

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

In situ measurement of the rheological properties and agglomeration on cementitious pastes

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

Kim, Jae Hong; Yim, Hong Jae, E-mail: yimhj@knu.ac.kr; Ferron, Raissa Douglas

2016-07-15

Various factors influence the rheology of cementitious pastes, with the most important being the mixing protocol, mixture proportions, and mixture composition. This study investigated the influence of ground-granulated blast-furnace slag, on the rheological behavior of cementitious pastes. In tandem with the rheological measurements, fresh state microstructural measurements were conducted using three different techniques: A coupled stroboscope-rheometer, a coupled laser backscattering-rheometer, and a conventional laser diffraction technique. Laser diffraction and the coupled stroboscope-rheometer were not good measures of the in situ state of flocculation of a sample. Rather, only the laser backscattering technique allowed for in situ measurement on a highlymore » concentrated suspension (cementitious paste). Using the coupled laser backscattering-rheometer technique, a link between the particle system and rheological behavior was determined through a modeling approach that takes into account agglomeration properties. A higher degree of agglomeration was seen in the ordinary Portland cement paste than pastes containing the slag and this was related to the degree of capillary pressure in the paste systems.« less

Setup of Extruded Cementitious Hollow Tubes as Containing/Releasing Devices in Self-Healing Systems

PubMed Central

Formia, Alessandra; Terranova, Salvatore; Antonaci, Paola; Pugno, Nicola Maria; Tulliani, Jean Marc

2015-01-01

The aim of this research is to produce self-healing cementitious composites based on the use of cylindrical capsules containing a repairing agent. Cementitious hollow tubes (CHT) having two different internal diameters (of 2 mm and 7.5 mm) were produced by extrusion and used as containers and releasing devices for cement paste/mortar healing agents. Based on the results of preliminary mechanical tests, sodium silicate was selected as the healing agent. The morphological features of several mix designs used to manufacture the extruded hollow tubes, as well as the coatings applied to increase the durability of both core and shell materials are discussed. Three-point bending tests were performed on samples produced with the addition of the above-mentioned cementitious hollow tubes to verify the self-healing effectiveness of the proposed solution. Promising results were achieved, in particular when tubes with a bigger diameter were used. In this case, a substantial strength and stiffness recovery was observed, even in specimens presenting large cracks (>1 mm). The method is inexpensive and simple to scale up; however, further research is needed in view of a final optimization. PMID:28788038

Micro- and macroscale coefficients of friction of cementitious materials

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

Lomboy, Gilson; Sundararajan, Sriram, E-mail: srirams@iastate.edu; 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 onmore » 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.« less

Method for characterization of the redox condition of cementitious materials

DOEpatents

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.

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.

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.

Multi-scale biomedical systems: measurement challenges

NASA Astrophysics Data System (ADS)

Summers, R.

2016-11-01

Multi-scale biomedical systems are those that represent interactions in materials, sensors, and systems from a holistic perspective. It is possible to view such multi-scale activity using measurement of spatial scale or time scale, though in this paper only the former is considered. The biomedical application paradigm comprises interactions that range from quantum biological phenomena at scales of 10-12 for one individual to epidemiological studies of disease spread in populations that in a pandemic lead to measurement at a scale of 10+7. It is clear that there are measurement challenges at either end of this spatial scale, but those challenges that relate to the use of new technologies that deal with big data and health service delivery at the point of care are also considered. The measurement challenges lead to the use, in many cases, of model-based measurement and the adoption of virtual engineering. It is these measurement challenges that will be uncovered in this paper.

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

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

Cementitious Barriers Partnership FY2013 End-Year Report

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

Flach, G. P.; Langton, C. A.; Burns, H. H.

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 DOEmore » 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

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.;

X-ray Computed Microtomography technique applied for cementitious materials: A review.

PubMed

da Silva, Ítalo Batista

2018-04-01

The main objective of this article is to present a bibliographical review about the use of the X-ray microtomography method in 3D images processing of cementitious materials microstructure, analyzing the pores microstructure and connectivity network, enabling tthe possibility of building a relationship between permeability and porosity. The use of this technique enables the understanding of physical, chemical and mechanical properties of cementitious materials by publishing good results, considering that the quality and quantity of accessible information were significant and may contribute to the study of cementitious materials development. Copyright © 2018 Elsevier Ltd. All rights reserved.

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.

A Multi-scale Modeling System with Unified Physics to Study Precipitation Processes

NASA Astrophysics Data System (ADS)

Tao, W. K.

2017-12-01

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), and (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF). 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 precipitation, processes and their sensitivity on model resolution and microphysics schemes will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.

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.

COMMUNITY MULTISCALE AIR QUALITY MODELING SYSTEM (ONE ATMOSPHERE)

EPA Science Inventory

This task supports ORD's strategy by providing responsive technical support of EPA's mission and provides credible state of the art air quality models and guidance. This research effort is to develop and improve the Community Multiscale Air Quality (CMAQ) modeling system, a mu...

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.

Reduction of minimum required weight of cementitious materials in WisDOT concrete mixes.

DOT National Transportation Integrated Search

2011-12-01

"This project was designed to explore the feasibility of lowering the cementitious materials content : (CMC) used in Wisconsin concrete pavement construction. The cementitious materials studied included : portland cement, fly ash, and ground granulat...

Reduction of minimum required weight of cementitious materials in WisDOT concrete mixes.

DOT National Transportation Integrated Search

2011-12-01

This project was designed to explore the feasibility of lowering the cementitious materials content : (CMC) used in Wisconsin concrete pavement construction. The cementitious materials studied included : portland cement, fly ash, and ground granulate...

Modeling and simulation of high dimensional stochastic multiscale PDE systems at the exascale

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

Zabaras, Nicolas J.

2016-11-08

Predictive Modeling of multiscale and Multiphysics systems requires accurate data driven characterization of the input uncertainties, and understanding of how they propagate across scales and alter the final solution. This project develops a rigorous mathematical framework and scalable uncertainty quantification algorithms to efficiently construct realistic low dimensional input models, and surrogate low complexity systems for the analysis, design, and control of physical systems represented by multiscale stochastic PDEs. The work can be applied to many areas including physical and biological processes, from climate modeling to systems biology.

Community Multiscale Air Quality Model

EPA Science Inventory

The U.S. EPA developed the Community Multiscale Air Quality (CMAQ) system to apply a “one atmosphere” multiscale and multi-pollutant modeling approach based mainly on the “first principles” description of the atmosphere. The multiscale capability is supported by the governing di...

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.

Evaluation of ternary cementitious combinations : tech summary.

DOT National Transportation Integrated Search

2012-02-01

Portland cement concrete (PCC) is the worlds most versatile and utilized construction material. Modern concrete consists of six : main ingredients: coarse aggregate, sand, portland cement, supplementary cementitious materials (SCMs), chemical admi...

Multiscale systems biology of trauma-induced coagulopathy.

PubMed

Tsiklidis, Evan; Sims, Carrie; Sinno, Talid; Diamond, Scott L

2018-07-01

Trauma with hypovolemic shock is an extreme pathological state that challenges the body to maintain blood pressure and oxygenation in the face of hemorrhagic blood loss. In conjunction with surgical actions and transfusion therapy, survival requires the patient's blood to maintain hemostasis to stop bleeding. The physics of the problem are multiscale: (a) the systemic circulation sets the global blood pressure in response to blood loss and resuscitation therapy, (b) local tissue perfusion is altered by localized vasoregulatory mechanisms and bleeding, and (c) altered blood and vessel biology resulting from the trauma as well as local hemodynamics control the assembly of clotting components at the site of injury. Building upon ongoing modeling efforts to simulate arterial or venous thrombosis in a diseased vasculature, computer simulation of trauma-induced coagulopathy is an emerging approach to understand patient risk and predict response. Despite uncertainties in quantifying the patient's dynamic injury burden, multiscale systems biology may help link blood biochemistry at the molecular level to multiorgan responses in the bleeding patient. As an important goal of systems modeling, establishing early metrics of a patient's high-dimensional trajectory may help guide transfusion therapy or warn of subsequent later stage bleeding or thrombotic risks. This article is categorized under: Analytical and Computational Methods > Computational Methods Biological Mechanisms > Regulatory Biology Models of Systems Properties and Processes > Mechanistic Models. © 2018 Wiley Periodicals, Inc.

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

2012-03-06

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.

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

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

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

Castellote, M.; Andrade, C.

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,more » 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.« less

Influence of Cracks in Cementitious Engineered Barriers in a Near-Surface Disposal System: Assessment Analysis of the Belgian Case

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

Perko, Janez; Seetharam, Suresh C.; Jacques, Diederik

2013-07-01

In large cement-based structures such as a near surface disposal facility for radioactive waste voids and cracks are inevitable. However, the pattern and nature of cracks are very difficult to predict reliably. Cracks facilitate preferential water flow through the facility because their saturated hydraulic conductivity is generally higher than the conductivity of the cementitious matrix. Moreover, sorption within the crack is expected to be lower than in the matrix and hence cracks in engineered barriers can act as a bypass for radionuclides. Consequently, understanding the effects of crack characteristics on contaminant fluxes from the facility is of utmost importance inmore » a safety assessment. In this paper we numerically studied radionuclide leaching from a crack-containing cementitious containment system. First, the effect of cracks on radionuclide fluxes is assessed for a single repository component which contains a radionuclide source (i.e. conditioned radwaste). These analyses reveal the influence of cracks on radionuclide release from the source. The second set of calculations deals with the safety assessment results for the planned near-surface disposal facility for low-level radioactive waste in Dessel (Belgium); our focus is on the analysis of total system behaviour in regards to release of radionuclide fluxes from the facility. Simulation results are interpreted through a complementary safety indicator (radiotoxicity flux). We discuss the possible consequences from different scenarios of cracks and voids. (authors)« less

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.

CEMENTITIOUS BARRIERS PARTNERSHIP FY13 MID-YEAR REPORT

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

Burns, H.; Flach, G.; Langton, C.

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. THAMESmore » 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

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. Copyright © 2011 Académie des sciences. Published by Elsevier SAS. All rights reserved.

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...

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

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

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

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 focusmore » 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

Multiscale asymmetric orthogonal wavelet kernel for linear programming support vector learning and nonlinear dynamic systems identification.

PubMed

Lu, Zhao; Sun, Jing; Butts, Kenneth

2014-05-01

Support vector regression for approximating nonlinear dynamic systems is more delicate than the approximation of indicator functions in support vector classification, particularly for systems that involve multitudes of time scales in their sampled data. The kernel used for support vector learning determines the class of functions from which a support vector machine can draw its solution, and the choice of kernel significantly influences the performance of a support vector machine. In this paper, to bridge the gap between wavelet multiresolution analysis and kernel learning, the closed-form orthogonal wavelet is exploited to construct new multiscale asymmetric orthogonal wavelet kernels for linear programming support vector learning. The closed-form multiscale orthogonal wavelet kernel provides a systematic framework to implement multiscale kernel learning via dyadic dilations and also enables us to represent complex nonlinear dynamics effectively. To demonstrate the superiority of the proposed multiscale wavelet kernel in identifying complex nonlinear dynamic systems, two case studies are presented that aim at building parallel models on benchmark datasets. The development of parallel models that address the long-term/mid-term prediction issue is more intricate and challenging than the identification of series-parallel models where only one-step ahead prediction is required. Simulation results illustrate the effectiveness of the proposed multiscale kernel learning.

Evaluation of ternary cementitious combinations : research project capsule.

DOT National Transportation Integrated Search

2009-03-01

PROBLEM: Many entities currently use fly ash, slag, and other supplementary cementitious materials (SCMs) in Portland cement concrete (PCC) pavement and structures. Although the body of knowledge is limited, several states are currently using ternary...

Towards a Multiscale Approach to Cybersecurity Modeling

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

Hogan, Emilie A.; Hui, Peter SY; Choudhury, Sutanay

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 ofmore » 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.« less

Solidification/stabilization of chromite ore processing residue using alkali-activated composite cementitious materials.

PubMed

Huang, Xiao; Zhuang, RanLiang; Muhammad, Faheem; Yu, Lin; Shiau, YanChyuan; Li, Dongwei

2017-02-01

Chromite Ore Processing Residue (COPR) produced in chromium salt production process causes a great health and environmental risk with Cr(VI) leaching. The solidification/stabilization (S/S) of COPR using alkali-activated blast furnace slag (BFS) and fly ash (FA) based cementitious material was investigated in this study. The optimum percentage of BFS and FA for preparing the alkali-activated BFS-FA binder had been studied. COPR was used to replace the amount of BFS-FA or ordinary Portland cement (OPC) for the preparation of the cementitious materials, respectively. The immobilization effect of the alkali-activated BFS-FA binder on COPR was much better than that of OPC based cementitious material. The potential for reusing the final treatment product as a readily available construction material was evaluated. X-ray diffraction (XRD), Fourier transform infrared spectrometry (FTIR) and scanning electron microscope with energy dispersive spectrometer (SEM-EDS) analysis indicated that COPR had been effectively immobilized. The solidification mechanism is the combined effect of reduction, ion exchange, precipitation, adsorption and physical fixation in the alkali-activated composite cementitious material. Copyright © 2016 Elsevier Ltd. All rights reserved.

About the possibility of obtaining cementitious soil composites of high strength on the basis of belozems of carbonate composition

NASA Astrophysics Data System (ADS)

Karapetyan, K. A.; Hayroyan, S. G.; Manukyan, E. S.

2018-04-01

The problem of manufacturing high strength cementitious soils based on belozems of carbonate composition, which experience compression (no less than 10 MPa), without application of surface active substances is considered. The portland cement of type 400 was used as a binding agent to develop compositions of cementitious soil composites, and the ordinary pipe water was used to obtain solutions of cementitious soils. The chemical and mineralogical composition of the initial ingredients and the granulometric composition of belozems were determined. The measurements showed that the upper and lower plasticity limits, the optimum moisture content, and the maximal density of the skeleton of belozems, as well as the considered compositions of cementitious soils, are insignificant, while the plasticity index of cementitious soils is less than one for belozems. It is experimentally proved that an increase in the portland cement amount lead to an increase in the compressive strength of cementitious soils with a decreasing speed. But for the same amount of portland cement used in the cementitious soil compositions, the values of the strength ratio of the pieces tested at the age of 60 and 28 days remain the same and are approximately equal to 1.2. A comparison of experimental data showed that it seems to be real to manufacture a cementitious soil on the basis of belozems of carbonate composition, which contain 10% of cement of the weight of dry mixture and have strength more than 10 MPa, without adding any surfactants to the material composition.

Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

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

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

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 andmore » 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.« less

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.

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.

Cementitious Barriers Partnership - FY2015 End-Year Report

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

Burns, H. H.; Flach, G. P.; Langton, C. 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)more » 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.« less

Multiscale Granger causality

NASA Astrophysics Data System (ADS)

Faes, Luca; Nollo, Giandomenico; Stramaglia, Sebastiano; Marinazzo, Daniele

2017-10-01

In the study of complex physical and biological systems represented by multivariate stochastic processes, an issue of great relevance is the description of the system dynamics spanning multiple temporal scales. While methods to assess the dynamic complexity of individual processes at different time scales are well established, multiscale analysis of directed interactions has never been formalized theoretically, and empirical evaluations are complicated by practical issues such as filtering and downsampling. Here we extend the very popular measure of Granger causality (GC), a prominent tool for assessing directed lagged interactions between joint processes, to quantify information transfer across multiple time scales. We show that the multiscale processing of a vector autoregressive (AR) process introduces a moving average (MA) component, and describe how to represent the resulting ARMA process using state space (SS) models and to combine the SS model parameters for computing exact GC values at arbitrarily large time scales. We exploit the theoretical formulation to identify peculiar features of multiscale GC in basic AR processes, and demonstrate with numerical simulations the much larger estimation accuracy of the SS approach compared to pure AR modeling of filtered and downsampled data. The improved computational reliability is exploited to disclose meaningful multiscale patterns of information transfer between global temperature and carbon dioxide concentration time series, both in paleoclimate and in recent years.

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

Applications of graphite-enabled phase change material composites to improve thermal performance of cementitious materials

NASA Astrophysics Data System (ADS)

Li, Mingli; Lin, Zhibin; Wu, Lili; Wang, Jinhui; Gong, Na

2017-11-01

Enhancing the thermal efficiency to decrease the energy consumption of structures has been the topic of much research. In this study, a graphite-enabled microencapsulated phase change material (GE-MEPCM) was used in the production of a novel thermal energy storage engineered cementitious composite feathering high heat storage capacity and enhanced thermal conductivity. The surface morphology and particle size of the microencapsulated phase change material (MEPCM) were investigated by scanning electron microscopy (SEM). Thermal properties of MEPCM was determined using differential scanning calorimetry (DSC). In addition, thermal and mechanical properties of the cementitious mortar with different admixtures were explored and compared with those of a cementitious composite. It was shown that the latent heat of MEPCM was 162 J/g, offering much better thermal energy storage capacity to the cementitious composite. However, MEPCM was found to decrease the thermal conductivity of the composite, which can be effectively solved by adding natural graphite (NG). Moreover, the incorporation of MEPCM has a certain decrease in the compressive strength, mainly due to the weak interfaces between MEPCM and cement matrix.

Cellulose nanomaterials as additives for cementitious materials

Treesearch

Tengfei Fu; Robert J. Moon; Pablo Zavatierri; Jeffrey Youngblood; William Jason Weiss

2017-01-01

Cementitious materials cover a very broad area of industries/products (buildings, streets and highways, water and waste management, and many others; see Fig. 20.1). Annual production of cements is on the order of 4 billion metric tons [2]. In general these industries want stronger, cheaper, more durable concrete, with faster setting times, faster rates of strength gain...

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

A multiscale dataset for understanding complex eco-hydrological processes in a heterogeneous oasis system

PubMed Central

Li, Xin; Liu, Shaomin; Xiao, Qin; Ma, Mingguo; Jin, Rui; Che, Tao; Wang, Weizhen; Hu, Xiaoli; Xu, Ziwei; Wen, Jianguang; Wang, Liangxu

2017-01-01

We introduce a multiscale dataset obtained from Heihe Watershed Allied Telemetry Experimental Research (HiWATER) in an oasis-desert area in 2012. Upscaling of eco-hydrological processes on a heterogeneous surface is a grand challenge. Progress in this field is hindered by the poor availability of multiscale observations. HiWATER is an experiment designed to address this challenge through instrumentation on hierarchically nested scales to obtain multiscale and multidisciplinary data. The HiWATER observation system consists of a flux observation matrix of eddy covariance towers, large aperture scintillometers, and automatic meteorological stations; an eco-hydrological sensor network of soil moisture and leaf area index; hyper-resolution airborne remote sensing using LiDAR, imaging spectrometer, multi-angle thermal imager, and L-band microwave radiometer; and synchronical ground measurements of vegetation dynamics, and photosynthesis processes. All observational data were carefully quality controlled throughout sensor calibration, data collection, data processing, and datasets generation. The data are freely available at figshare and the Cold and Arid Regions Science Data Centre. The data should be useful for elucidating multiscale eco-hydrological processes and developing upscaling methods. PMID:28654086

Characterization and Performance Optimization of a Cementitious Composite for Quasi-Static and Dynamic Loads

DTIC Science & Technology

2011-01-01

blast and weapon fragmentation. A particular cementitious composite of interest is an inorganic polymer cement or “ geopolymer ” cement. The term...www.sciencedirect.com ICM11 Characterization and performance optimization of a cementitious composite for quasi-static and dynamic loads W.F. Hearda,b, P.K. Basub...rapid-set, high-strength geopolymer cement under quasi-static and dynamic loads. Four unique tensile experiments were conducted to characterize and

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.

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

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

Transport properties of damaged materials. Cementitious barriers partnership

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

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, whichmore » 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

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

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

Tawhai, Merryn; Bischoff, Jeff; Einstein, Daniel R.

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.

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

Self-cementitious properties of fly ashes from CFBC boilers co-firing coal and high-sulphur petroleum coke

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

Sheng Guanghong; Li Qin; Zhai Jianping

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. Themore » 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)« less

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

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

Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.

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 upmore » 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

Flexural behavior of the fibrous cementitious composites (FCC) containing hybrid fibres

NASA Astrophysics Data System (ADS)

Ramli, Mahyuddin; Ban, Cheah Chee; Samsudin, Muhamad Fadli

2018-02-01

In this study, the flexural behavior of the fibrous cementitious composites containing hybrid fibers was investigated. Waste materials or by product materials such as pulverized fuel ash (PFA) and ground granulated blast-furnace slag (GGBS) was used as supplementary cement replacement. In addition, barchip and kenaf fiber will be used as additional materials for enhance the flexural behavior of cementitious composites. A seven mix design of fibrous cementitious composites containing hybrid fiber mortar were fabricated with PFA-GGBS as cement replacement at 50% with hybridization of barchip and kenaf fiber between 0.5% and 2.0% by total volume weight. The FCC with hybrid fibers mortar will be fabricated by using 50 × 50 × 50 mm, 40 × 40 × 160 mm and 350 × 125 × 30 mm steel mold for assessment of mechanical performances and flexural behavior characteristics. The flexural behavior and mechanical performance of the PFA-GGBS with hybrid fiber mortar block was assessed in terms of load deflection response, stress-strain response, crack development, compressive and flexural strength after water curing for 28 days. Moreover, the specimen HBK 1 and HBK 2 was observed equivalent or better in mechanical performance and flexural behavior as compared to control mortar.

Technetium Sorption By Cementitious Materials Under Reducing Conditions

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

Kaplan, Daniel I.; Estes, Shanna L.; Arai, Yuji

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 datamore » 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

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.

Integrating Multiscale Modeling with Drug Effects for Cancer Treatment.

PubMed

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.

Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

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

Smith, F.; Flach, G.

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 asmore » 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.« less

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.

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...

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.

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.

Restrained shrinkage cracking of cementitious composites containing soft PCM inclusions: A paste (matrix) controlled response

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

Wei, Zhenhua; Falzone, Gabriel; Das, Sumanta

The addition of phase change materials (PCMs) has been proposed as a way to mitigate thermal cracking in cementitious materials. However, the addition of PCMs, i.e., soft inclusions, degrades the compressive strength of cementitious composites. From a strength-of-materials viewpoint, such reductions in strength are suspected to increase the tendency of cementitious materials containing PCMs to crack under load (e.g., volume instability-induced stresses resulting from thermal and/or hygral deformations). Based on detailed assessments of free and restrained shrinkage, elastic modulus, and tensile strength, this study shows that the addition of PCMs does not alter the cracking sensitivity of the material. Inmore » fact, the addition of PCMs (or other soft inclusions) enhances the cracking resistance as compared to a plain cement paste or composites containing equivalent dosages of (stiff) quartz inclusions. This is because composites containing soft inclusions demonstrate benefits resulting from crack blunting and deflection, and improved stress relaxation. As a result, although the tensile stress at failure remains similar, the time to failure (i.e., macroscopic cracking) of PCM-containing composites is considerably extended. More generally, the outcomes indicate that dosages of soft(er) inclusions, and the resulting decrease in compressive strength does not amplify the cracking risk of cementitious composites.« less

Engineering Properties and Correlation Analysis of Fiber Cementitious Materials

PubMed Central

Lin, Wei-Ting; Wu, Yuan-Chieh; Cheng, An; Chao, Sao-Jeng; Hsu, Hui-Mi

2014-01-01

This study focuses on the effect of the amount of silica fume addition and volume fraction of steel fiber on the engineering properties of cementitious materials. Test variables include dosage of silica fume (5% and 10%), water/cement ratio (0.35 and 0.55) and steel fiber dosage (0.5%, 1.0% and 2.0%). The experimental results included: compressive strength, direct tensile strength, splitting tensile strength, surface abrasion and drop-weight test, which were collected to carry out the analysis of variance to realize the relevancy and significance between material parameters and those mechanical properties. Test results illustrate that the splitting tensile strength, direct tensile strength, strain capacity and ability of crack-arresting increase with increasing steel fiber and silica fume dosages, as well as the optimum mixture of the fiber cementitious materials is 5% replacement silica fume and 2% fiber dosage. In addition, the Pearson correlation coefficient was conducted to evaluate the influence of the material variables and corresponds to the experiment result. PMID:28788256

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.

Dynamics of a neural system with a multiscale architecture

PubMed Central

Breakspear, Michael; Stam, Cornelis J

2005-01-01

The architecture of the brain is characterized by a modular organization repeated across a hierarchy of spatial scales—neurons, minicolumns, cortical columns, functional brain regions, and so on. It is important to consider that the processes governing neural dynamics at any given scale are not only determined by the behaviour of other neural structures at that scale, but also by the emergent behaviour of smaller scales, and the constraining influence of activity at larger scales. In this paper, we introduce a theoretical framework for neural systems in which the dynamics are nested within a multiscale architecture. In essence, the dynamics at each scale are determined by a coupled ensemble of nonlinear oscillators, which embody the principle scale-specific neurobiological processes. The dynamics at larger scales are ‘slaved’ to the emergent behaviour of smaller scales through a coupling function that depends on a multiscale wavelet decomposition. The approach is first explicated mathematically. Numerical examples are then given to illustrate phenomena such as between-scale bifurcations, and how synchronization in small-scale structures influences the dynamics in larger structures in an intuitive manner that cannot be captured by existing modelling approaches. A framework for relating the dynamical behaviour of the system to measured observables is presented and further extensions to capture wave phenomena and mode coupling are suggested. PMID:16087448

Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System

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

Goldhaber, Steve; Holland, Marika

The major goal of this project was to contribute improvements to the infrastructure of an Earth System Model in order to support research in the Multiscale Methods for Accurate, Efficient, and Scale-Aware models of the Earth System project. In support of this, the NCAR team accomplished two main tasks: improving input/output performance of the model and improving atmospheric model simulation quality. Improvement of the performance and scalability of data input and diagnostic output within the model required a new infrastructure which can efficiently handle the unstructured grids common in multiscale simulations. This allows for a more computationally efficient model, enablingmore » more years of Earth System simulation. The quality of the model simulations was improved by reducing grid-point noise in the spectral element version of the Community Atmosphere Model (CAM-SE). This was achieved by running the physics of the model using grid-cell data on a finite-volume grid.« less

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

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

Multiscale modeling methods in biomechanics.

PubMed

Bhattacharya, Pinaki; Viceconti, Marco

2017-05-01

More and more frequently, computational biomechanics deals with problems where the portion of physical reality to be modeled spans over such a large range of spatial and temporal dimensions, that it is impossible to represent it as a single space-time continuum. We are forced to consider multiple space-time continua, each representing the phenomenon of interest at a characteristic space-time scale. Multiscale models describe a complex process across multiple scales, and account for how quantities transform as we move from one scale to another. This review offers a set of definitions for this emerging field, and provides a brief summary of the most recent developments on multiscale modeling in biomechanics. Of all possible perspectives, we chose that of the modeling intent, which vastly affect the nature and the structure of each research activity. To the purpose we organized all papers reviewed in three categories: 'causal confirmation,' where multiscale models are used as materializations of the causation theories; 'predictive accuracy,' where multiscale modeling is aimed to improve the predictive accuracy; and 'determination of effect,' where multiscale modeling is used to model how a change at one scale manifests in an effect at another radically different space-time scale. Consistent with how the volume of computational biomechanics research is distributed across application targets, we extensively reviewed papers targeting the musculoskeletal and the cardiovascular systems, and covered only a few exemplary papers targeting other organ systems. The review shows a research subdomain still in its infancy, where causal confirmation papers remain the most common. WIREs Syst Biol Med 2017, 9:e1375. doi: 10.1002/wsbm.1375 For further resources related to this article, please visit the WIREs website. © 2017 The Authors. WIREs Systems Biology and Medicine published by Wiley Periodicals, Inc.

A multiphysics and multiscale software environment for modeling astrophysical systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; Harfst, Stefan; Groen, Derek; Fujii, Michiko; Nualláin, Breanndán Ó.; Glebbeek, Evert; Heggie, Douglas; Lombardi, James; Hut, Piet; Angelou, Vangelis; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Gaburov, Evghenii; Izzard, Rob; Jurić, Mario; Justham, Stephen; Sottoriva, Andrea; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

2009-05-01

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a "Noah's Ark" milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multiscale and multiphysics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe three examples calculated using MUSE: the merger of two galaxies, the merger of two evolving stars, and a hybrid N-body simulation. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

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.

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.

Multiscale Modeling: A Review

NASA Astrophysics Data System (ADS)

Horstemeyer, M. F.

This review of multiscale modeling covers a brief history of various multiscale methodologies related to solid materials and the associated experimental influences, the various influence of multiscale modeling on different disciplines, and some examples of multiscale modeling in the design of structural components. Although computational multiscale modeling methodologies have been developed in the late twentieth century, the fundamental notions of multiscale modeling have been around since da Vinci studied different sizes of ropes. The recent rapid growth in multiscale modeling is the result of the confluence of parallel computing power, experimental capabilities to characterize structure-property relations down to the atomic level, and theories that admit multiple length scales. The ubiquitous research that focus on multiscale modeling has broached different disciplines (solid mechanics, fluid mechanics, materials science, physics, mathematics, biological, and chemistry), different regions of the world (most continents), and different length scales (from atoms to autos).

Materials integrity in microsystems: a framework for a petascale predictive-science-based multiscale modeling and simulation system

NASA Astrophysics Data System (ADS)

To, Albert C.; Liu, Wing Kam; Olson, Gregory B.; Belytschko, Ted; Chen, Wei; Shephard, Mark S.; Chung, Yip-Wah; Ghanem, Roger; Voorhees, Peter W.; Seidman, David N.; Wolverton, Chris; Chen, J. S.; Moran, Brian; Freeman, Arthur J.; Tian, Rong; Luo, Xiaojuan; Lautenschlager, Eric; Challoner, A. Dorian

2008-09-01

Microsystems have become an integral part of our lives and can be found in homeland security, medical science, aerospace applications and beyond. Many critical microsystem applications are in harsh environments, in which long-term reliability needs to be guaranteed and repair is not feasible. For example, gyroscope microsystems on satellites need to function for over 20 years under severe radiation, thermal cycling, and shock loading. Hence a predictive-science-based, verified and validated computational models and algorithms to predict the performance and materials integrity of microsystems in these situations is needed. Confidence in these predictions is improved by quantifying uncertainties and approximation errors. With no full system testing and limited sub-system testings, petascale computing is certainly necessary to span both time and space scales and to reduce the uncertainty in the prediction of long-term reliability. This paper presents the necessary steps to develop predictive-science-based multiscale modeling and simulation system. The development of this system will be focused on the prediction of the long-term performance of a gyroscope microsystem. The environmental effects to be considered include radiation, thermo-mechanical cycling and shock. Since there will be many material performance issues, attention is restricted to creep resulting from thermal aging and radiation-enhanced mass diffusion, material instability due to radiation and thermo-mechanical cycling and damage and fracture due to shock. To meet these challenges, we aim to develop an integrated multiscale software analysis system that spans the length scales from the atomistic scale to the scale of the device. The proposed software system will include molecular mechanics, phase field evolution, micromechanics and continuum mechanics software, and the state-of-the-art model identification strategies where atomistic properties are calibrated by quantum calculations. We aim to predict the

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

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

Scheibe, Timothy D.; Murphy, Ellyn M.; Chen, Xingyuan

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 modelmore » 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

An analysis platform for multiscale hydrogeologic modeling with emphasis on hybrid multiscale methods.

PubMed

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 faced by hydrogeologic modelers is the disparity between the spatial and temporal scales at which fundamental flow, transport, and reaction processes can best be understood and quantified (e.g., microscopic to pore scales and seconds to days) and at which practical model predictions are needed (e.g., plume to aquifer scales and years to centuries). While the multiscale nature of hydrogeologic problems is widely recognized, technological limitations in computation 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 article, 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 flowchart (Multiscale Analysis Platform), 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 improve

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.

Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

NASA Astrophysics Data System (ADS)

Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

2018-04-01

Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

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.

Multiscale Mathematics for Biomass Conversion to Renewable Hydrogen

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

Plechac, Petr; Vlachos, Dionisios; 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 biomassmore » 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.« less

Exploratory investigation of high-performance fiber-reinforced cementitious composites for crack control.

DOT National Transportation Integrated Search

2008-01-01

This study evaluated high-performance fiber-reinforced cementitious composites (HPFRCC), which are mortar mixtures with synthetic and steel fibers. The feasibility of using HPFRCC technology for transportation applications by the Virginia Department ...

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…

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

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

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.

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

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.

Multiscale Reactive Molecular Dynamics

DTIC Science & Technology

2012-08-15

biology cannot be described without considering electronic and nuclear-level dynamics and their coupling to slower, cooperative motions of the system ...coupling to slower, cooperative motions of the system . These inherently multiscale problems require computationally efficient and accurate methods to...condensed phase systems with computational efficiency orders of magnitudes greater than currently possible with ab initio simulation methods, thus

Multiscale System for Environmentally-Driven Infectious Disease with Threshold Control Strategy

NASA Astrophysics Data System (ADS)

Sun, Xiaodan; Xiao, Yanni

A multiscale system for environmentally-driven infectious disease is proposed, in which control measures at three different scales are implemented when the number of infected hosts exceeds a certain threshold. Our coupled model successfully describes the feedback mechanisms of between-host dynamics on within-host dynamics by employing one-scale variable guided enhancement of interventions on other scales. The modeling approach provides a novel idea of how to link the large-scale dynamics to small-scale dynamics. The dynamic behaviors of the multiscale system on two time-scales, i.e. fast system and slow system, are investigated. The slow system is further simplified to a two-dimensional Filippov system. For the Filippov system, we study the dynamics of its two subsystems (i.e. free-system and control-system), the sliding mode dynamics, the boundary equilibrium bifurcations, as well as the global behaviors. We prove that both subsystems may undergo backward bifurcations and the sliding domain exists. Meanwhile, it is possible that the pseudo-equilibrium exists and is globally stable, or the pseudo-equilibrium, the disease-free equilibrium and the real equilibrium are tri-stable, or the pseudo-equilibrium and the real equilibrium are bi-stable, or the pseudo-equilibrium and disease-free equilibrium are bi-stable, which depends on the threshold value and other parameter values. The global stability of the pseudo-equilibrium reveals that we may maintain the number of infected hosts at a previously given value. Moreover, the bi-stability and tri-stability indicate that whether the number of infected individuals tends to zero or a previously given value or other positive values depends on the parameter values and the initial states of the system. These results highlight the challenges in the control of environmentally-driven infectious disease.

Superhydrophobic engineered cementitious composites for highway bridge applications : technology transfer and implementation.

DOT National Transportation Integrated Search

2013-09-01

The strength and durability of highway bridges are two of the key components in maintaining a : high level of freight transportation capacity on the nations highways. Superhydrophobic : engineered cementitious composite (SECC) is a new advanced con...

Experimental Study on Cementitious Composites Embedded with Organic Microcapsules

PubMed Central

Wang, Xianfeng; Xing, Feng; Zhang, Ming; Han, Ningxu; Qian, Zhiwei

2013-01-01

The recovery behavior for strength and impermeability of cementitious composites embedded with organic microcapsules was investigated in this study. Mortar specimens were formed by mixing the organic microcapsules and a catalyst with cement and sand. The mechanical behaviors of flexural and compression strength were tested. The results showed that strength could increase by up to nine percent with the addition of a small amount of microcapsules and then decrease with an increasing amount of microcapsules. An orthogonal test for investigating the strength recovery rate was designed and implemented for bending and compression using the factors of water/cement ratio, amount of microcapsules, and preloading rate. It is shown that the amount of microcapsules plays a key role in the strength recovery rate. Chloride ion permeability tests were also carried out to investigate the recovery rate and healing effect. The initial damage was obtained by subjecting the specimens to compression. Both the recovery rate and the healing effect were nearly proportional to the amount of microcapsules. The obtained cementitious composites can be seen as self-healing owing to their recovery behavior for both strength and permeability. PMID:28788318

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.

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...

Design of microcamera for field curvature and distortion correction in monocentric multiscale foveated imaging system

NASA Astrophysics Data System (ADS)

Wu, Xiongxiong; Wang, Xiaorui; Zhang, Jianlei; Yuan, Ying; Chen, Xiaoxiang

2017-04-01

To realize large field of view (FOV) and high-resolution dynamic gaze of the moving target, this paper proposes the monocentric multiscale foveated (MMF) imaging system based on monocentric multiscale design and foveated imaging. First we present the MMF imaging system concept. Then we analyze large field curvature and distortion of the secondary image when the spherical intermediate image produced by the primary monocentric objective lens is relayed by the microcameras. Further a type of zoom endoscope objective lens is selected as the initial structure and optimized to minimize the field curvature and distortion with ZEMAX optical design software. The simulation results show that the maximum field curvature in full field of view is below 0.25 mm and the maximum distortion in full field of view is below 0.6%, which can meet the requirements of the microcamera in the proposed MMF imaging system. In addition, a simple doublet is used to design the foveated imaging system. Results of the microcamera together with the foveated imager compose the results of the whole MMF imaging system.

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.

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.

Multiscale sensorless adaptive optics OCT angiography system for in vivo human retinal imaging.

PubMed

Ju, Myeong Jin; Heisler, Morgan; Wahl, Daniel; Jian, Yifan; Sarunic, Marinko V

2017-11-01

We present a multiscale sensorless adaptive optics (SAO) OCT system capable of imaging retinal structure and vasculature with various fields-of-view (FOV) and resolutions. Using a single deformable mirror and exploiting the polarization properties of light, the SAO-OCT-A was implemented in a compact and easy to operate system. With the ability to adjust the beam diameter at the pupil, retinal imaging was demonstrated at two different numerical apertures with the same system. The general morphological structure and retinal vasculature could be observed with a few tens of micrometer-scale lateral resolution with conventional OCT and OCT-A scanning protocols with a 1.7-mm-diameter beam incident at the pupil and a large FOV (15 deg× 15 deg). Changing the system to a higher numerical aperture with a 5.0-mm-diameter beam incident at the pupil and the SAO aberration correction, the FOV was reduced to 3 deg× 3 deg for fine detailed imaging of morphological structure and microvasculature such as the photoreceptor mosaic and capillaries. Multiscale functional SAO-OCT imaging was performed on four healthy subjects, demonstrating its functionality and potential for clinical utility. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Integrated multiscale biomaterials experiment and modelling: a perspective

PubMed Central

Buehler, Markus J.; Genin, Guy M.

2016-01-01

Advances in multiscale models and computational power have enabled a broad toolset to predict how molecules, cells, tissues and organs behave and develop. A key theme in biological systems is the emergence of macroscale behaviour from collective behaviours across a range of length and timescales, and a key element of these models is therefore hierarchical simulation. However, this predictive capacity has far outstripped our ability to validate predictions experimentally, particularly when multiple hierarchical levels are involved. The state of the art represents careful integration of multiscale experiment and modelling, and yields not only validation, but also insights into deformation and relaxation mechanisms across scales. We present here a sampling of key results that highlight both challenges and opportunities for integrated multiscale experiment and modelling in biological systems. PMID:28981126

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite.

PubMed

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints.

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.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite

PubMed Central

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints. PMID:28772382

Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a comprehensive multipollutant air quality modeling system developed and maintained by the US Environmental Protection Agency's (EPA) Office of Research and Development (ORD). Recently, version 5.1 of the CMAQ model (v5.1) was ...

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

DOE PAGES

Adalsteinsson, Helgi; Debusschere, Bert J.; Long, Kevin R.; ...

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

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

Multiscale modeling of mucosal immune responses.

PubMed

Mei, Yongguo; Abedi, Vida; Carbo, Adria; Zhang, Xiaoying; Lu, Pinyi; Philipson, Casandra; Hontecillas, Raquel; Hoops, Stefan; Liles, Nathan; Bassaganya-Riera, Josep

2015-01-01

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. 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. We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut inflammation. Our modeling predictions dissect the mechanisms by which effector CD4+ T cell responses contribute to tissue damage in the gut mucosa following immune dysregulation.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

Development of Specifications for Engineered Cementitious Composites for Use in Bridge Deck Overlays

DOT National Transportation Integrated Search

2016-02-01

Engineered cementitious composite (ECC) material is a high strength, fiber-reinforced, ductile mortar mixture that can exhibit tensile strains of up to 5%. ECC has a dense matrix, giving the material exceptional durability characteristics. The durabi...

Utilization of red mud and Pb/Zn smelter waste for the synthesis of a red mud-based cementitious material.

PubMed

Li, Yuan-Cheng; Min, Xiao-Bo; Ke, Yong; Chai, Li-Yuan; Shi, Mei-Qing; Tang, Chong-Jian; Wang, Qing-Wei; Liang, Yan-Jie; Lei, Jie; Liu, De-Gang

2018-02-15

A new method in which Pb/Zn smelter waste containing arsenic and heavy metals (arsenic sludge), red mud and lime are utilized to prepare red mud-based cementitious material (RCM) is proposed in this study. XRD, SEM, FTIR and unconfined compressive strength (UCS) tests were employed to assess the physicochemical properties of RCM. In addition, ettringite and iron oxide-containing ettringite were used to study the hydration mechanism of RCM. The results show that the UCS of the RCM (red mud+arsenic sludge+lime) was higher than that of the binder (red mud+arsenic sludge). When the mass ratio of m (binder): m (lime) was 94:6 and then maintained 28days at ambient temperature, the UCS reached 12.05MPa. The red mud has potential cementitious characteristics, and the major source of those characteristics was the aluminium oxide. In the red mud-arsenic sludge-lime system, aluminium oxide was effectively activated by lime and gypsum to form complex hydration products. Some of the aluminium in ettringite was replaced by iron to form calcium sulfoferrite hydrate. The BCR and leaching toxicity results show that the leaching concentration was strongly dependent on the chemical speciation of arsenic and the hydration products. Therefore, the investigated red mud and arsenic sludge can be successfully utilized in cement composites to create a red mud-based cementitious material. Copyright © 2017 Elsevier B.V. All rights reserved.

Multiscale equation-free algorithms for molecular dynamics

NASA Astrophysics Data System (ADS)

Abi Mansour, Andrew

Molecular dynamics is a physics-based computational tool that has been widely employed to study the dynamics and structure of macromolecules and their assemblies at the atomic scale. However, the efficiency of molecular dynamics simulation is limited because of the broad spectrum of timescales involved. To overcome this limitation, an equation-free algorithm is presented for simulating these systems using a multiscale model cast in terms of atomistic and coarse-grained variables. Both variables are evolved in time in such a way that the cross-talk between short and long scales is preserved. In this way, the coarse-grained variables guide the evolution of the atom-resolved states, while the latter provide the Newtonian physics for the former. While the atomistic variables are evolved using short molecular dynamics runs, time advancement at the coarse-grained level is achieved with a scheme that uses information from past and future states of the system while accounting for both the stochastic and deterministic features of the coarse-grained dynamics. To complete the multiscale cycle, an atom-resolved state consistent with the updated coarse-grained variables is recovered using algorithms from mathematical optimization. This multiscale paradigm is extended to nanofluidics using concepts from hydrodynamics, and it is demonstrated for macromolecular and nanofluidic systems. A toolkit is developed for prototyping these algorithms, which are then implemented within the GROMACS simulation package and released as an open source multiscale simulator.

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

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

Burns, Heather; Flach, Greg; Smith, Frank

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 attackmore » 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

Study on reinforcement of soil for suppressing fugitive dust by bio-cementitious material

NASA Astrophysics Data System (ADS)

Zhan, Qiwei; Qian, Chunxiang

2017-06-01

Microbial-induced reinforcement of soil, as a new green and environmental-friendly method, is being paid extensive attention to in that it has low cost, simple operation and rapid effects. In this research, reinforcement of soil for suppressing fugitive dust by bio-cementitious material was investigated. Soil cemented by bio-cementitious material had superior mechanical properties, such as hardness, compressive strength, microstructure, wind-erosion resistance, rainfall-erosion resistance and freeze-thaw resistance. The average hardness of sandy soil, floury soil and clay soil is 18.9 º, 25.2 º and 26.1 º, while average compressive strength of samples is 0.43 MPa, 0.54 MPa and 0.69 MPa, respectively; meanwhile, the average calcite content of samples is 6.85 %, 6.09 %, and 5.96 %, respectively. Compared with the original sandy soil, floury soil and clay soil, the porosity decreases by 38.5 %, 33.7 % and 29.2 %. When wind speed is 12 m/s, the mass loss of sandy soil, floury soil and clay soil cemented by bio-cementitious material are all less than 30 g/(m2·h). After three cycles of rainfall erosion of 2.5 mm/h, the mass loss are less than 25 g/(m2·h) and the compressive strength residual ratio are more than 98.0 %. Under 25 cycles of freeze-thaw, the mass loss ratio are less than 3.0 %.

Multiscale Support Vector Learning With Projection Operator Wavelet Kernel for Nonlinear Dynamical System Identification.

PubMed

Lu, Zhao; Sun, Jing; Butts, Kenneth

2016-02-03

A giant leap has been made in the past couple of decades with the introduction of kernel-based learning as a mainstay for designing effective nonlinear computational learning algorithms. In view of the geometric interpretation of conditional expectation and the ubiquity of multiscale characteristics in highly complex nonlinear dynamic systems [1]-[3], this paper presents a new orthogonal projection operator wavelet kernel, aiming at developing an efficient computational learning approach for nonlinear dynamical system identification. In the framework of multiresolution analysis, the proposed projection operator wavelet kernel can fulfill the multiscale, multidimensional learning to estimate complex dependencies. The special advantage of the projection operator wavelet kernel developed in this paper lies in the fact that it has a closed-form expression, which greatly facilitates its application in kernel learning. To the best of our knowledge, it is the first closed-form orthogonal projection wavelet kernel reported in the literature. It provides a link between grid-based wavelets and mesh-free kernel-based methods. Simulation studies for identifying the parallel models of two benchmark nonlinear dynamical systems confirm its superiority in model accuracy and sparsity.

Filters for Improvement of Multiscale Data from Atomistic Simulations

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

Gardner, David J.; Reynolds, Daniel R.

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE PAGES

Gardner, David J.; Reynolds, Daniel R.

2017-01-05

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Multiscale Mathematics for Biomass Conversion to Renewable Hydrogen

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

Plechac, Petr

2016-03-01

The overall objective of this project was 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 and developing rigorous mathematical techniques and computational algorithms to study such models. 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.

Complexity and multifractal behaviors of multiscale-continuum percolation financial system for Chinese stock markets

NASA Astrophysics Data System (ADS)

Zeng, Yayun; Wang, Jun; Xu, Kaixuan

2017-04-01

A new financial agent-based time series model is developed and investigated by multiscale-continuum percolation system, which can be viewed as an extended version of continuum percolation system. In this financial model, for different parameters of proportion and density, two Poisson point processes (where the radii of points represent the ability of receiving or transmitting information among investors) are applied to model a random stock price process, in an attempt to investigate the fluctuation dynamics of the financial market. To validate its effectiveness and rationality, we compare the statistical behaviors and the multifractal behaviors of the simulated data derived from the proposed model with those of the real stock markets. Further, the multiscale sample entropy analysis is employed to study the complexity of the returns, and the cross-sample entropy analysis is applied to measure the degree of asynchrony of return autocorrelation time series. The empirical results indicate that the proposed financial model can simulate and reproduce some significant characteristics of the real stock markets to a certain extent.

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2017-12-08

MMS Spacecraft Animation The Magnetospheric Multiscale (MMS) mission is a Solar Terrestrial Probes mission comprising four identically instrumented spacecraft that will use Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes: magnetic reconnection, energetic particle acceleration, and turbulence. These processes occur in all astrophysical plasma systems but can be studied in situ only in our solar system and most efficiently only in Earth's magnetosphere, where they control the dynamics of the geospace environment and play an important role in the processes known as "space weather." Learn more about MMS at www.nasa.gov/mms Learn more about MMS at www.nasa.gov/mms Credit NASA/Chris Gunn The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Direct Phase-resolved strain Measurements in Cementitious materials (Prop.2001-061)

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

Watkins, Thomas R; BIernacki, Joseph J.; Wang, R

J. J. Biernacki, S. E. Mikel, C. J. Parnham, R. Wang, J. Bai, T. R. Watkins, M. Lance and C. R. Hubbard, "Direct Phase-Resolved Strain Measurements in Cementitious Materials," pp. 57-72 in Transport Properties and Concrete Quality: Materials Science of Concrete, Special Volume. Edited by B. Mobasher and J. P Skalny, ACerS, Westerville, OH, 2007.

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

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.

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

Micro-structural characterization of the hydration products of bauxite-calcination-method red mud-coal gangue based cementitious materials.

PubMed

Liu, Xiaoming; Zhang, Na; Yao, Yuan; Sun, Henghu; Feng, Huan

2013-11-15

In this research, the micro-structural characterization of the hydration products of red mud-coal gangue based cementitious materials has been investigated through SEM-EDS, (27)Al MAS NMR and (29)Si MAS NMR techniques, in which the used red mud was derived from the bauxite calcination method. The results show that the red mud-coal gangue based cementitious materials mainly form fibrous C-A-S-H gel, needle-shaped/rod-like AFt in the early hydration period. With increasing of the hydration period, densification of the pastes were promoted resulting in the development of strength. EDS analysis shows that with the Ca/Si of red mud-coal gangue based cementitious materials increases, the average Ca/Si and Ca/(Si+Al) atomic ratio of C-A-S-H gel increases, while the average Al/Si atomic ratio of C-A-S-H gel decreases. MAS NMR analysis reveals that Al in the hydration products of red mud-coal gangue based cementitious materials exists in the forms of Al(IV) and Al(VI), but mainly in the form of Al(VI). Increasing the Ca/Si ratio of raw material promotes the conversion of [AlO4] to [AlO6] and inhibits the combination between [AlO4] and [SiO4] to form C-A-S-H gel. Meanwhile, the polymerization degree of [SiO4] in the hydration products declines. Published by Elsevier B.V.

Simulation of Left Atrial Function Using a Multi-Scale Model of the Cardiovascular System

PubMed Central

Pironet, Antoine; Dauby, Pierre C.; Paeme, Sabine; Kosta, Sarah; Chase, J. Geoffrey; Desaive, Thomas

2013-01-01

During a full cardiac cycle, the left atrium successively behaves as a reservoir, a conduit and a pump. This complex behavior makes it unrealistic to apply the time-varying elastance theory to characterize the left atrium, first, because this theory has known limitations, and second, because it is still uncertain whether the load independence hypothesis holds. In this study, we aim to bypass this uncertainty by relying on another kind of mathematical model of the cardiac chambers. In the present work, we describe both the left atrium and the left ventricle with a multi-scale model. The multi-scale property of this model comes from the fact that pressure inside a cardiac chamber is derived from a model of the sarcomere behavior. Macroscopic model parameters are identified from reference dog hemodynamic data. The multi-scale model of the cardiovascular system including the left atrium is then simulated to show that the physiological roles of the left atrium are correctly reproduced. This include a biphasic pressure wave and an eight-shaped pressure-volume loop. We also test the validity of our model in non basal conditions by reproducing a preload reduction experiment by inferior vena cava occlusion with the model. We compute the variation of eight indices before and after this experiment and obtain the same variation as experimentally observed for seven out of the eight indices. In summary, the multi-scale mathematical model presented in this work is able to correctly account for the three roles of the left atrium and also exhibits a realistic left atrial pressure-volume loop. Furthermore, the model has been previously presented and validated for the left ventricle. This makes it a proper alternative to the time-varying elastance theory if the focus is set on precisely representing the left atrial and left ventricular behaviors. PMID:23755183

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.

Systems oncology: towards patient-specific treatment regimes informed by multiscale mathematical modelling.

PubMed

Powathil, Gibin G; Swat, Maciej; Chaplain, Mark A J

2015-02-01

The multiscale complexity of cancer as a disease necessitates a corresponding multiscale modelling approach to produce truly predictive mathematical models capable of improving existing treatment protocols. To capture all the dynamics of solid tumour growth and its progression, mathematical modellers need to couple biological processes occurring at various spatial and temporal scales (from genes to tissues). Because effectiveness of cancer therapy is considerably affected by intracellular and extracellular heterogeneities as well as by the dynamical changes in the tissue microenvironment, any model attempt to optimise existing protocols must consider these factors ultimately leading to improved multimodal treatment regimes. By improving existing and building new mathematical models of cancer, modellers can play important role in preventing the use of potentially sub-optimal treatment combinations. In this paper, we analyse a multiscale computational mathematical model for cancer growth and spread, incorporating the multiple effects of radiation therapy and chemotherapy in the patient survival probability and implement the model using two different cell based modelling techniques. We show that the insights provided by such multiscale modelling approaches can ultimately help in designing optimal patient-specific multi-modality treatment protocols that may increase patients quality of life. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

PubMed

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.

Use of polypropylene fibers coated with nano-silica particles into a cementitious mortar

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

Coppola, B., E-mail: bcoppola@unisa.it; Di Maio, L.; Scarfato, P.

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. SEMmore » 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.« less

Discrete Model for the Structure and Strength of Cementitious Materials

NASA Astrophysics Data System (ADS)

Balopoulos, Victor D.; Archontas, Nikolaos; Pantazopoulou, Stavroula J.

2017-12-01

Cementitious materials are characterized by brittle behavior in direct tension and by transverse dilatation (due to microcracking) under compression. Microcracking causes increasingly larger transverse strains and a phenomenological Poisson's ratio that gradually increases to about ν =0.5 and beyond, at the limit point in compression. This behavior is due to the underlying structure of cementitious pastes which is simulated here with a discrete physical model. The computational model is generic, assembled from a statistically generated, continuous network of flaky dendrites consisting of cement hydrates that emanate from partially hydrated cement grains. In the actual amorphous material, the dendrites constitute the solid phase of the cement gel and interconnect to provide the strength and stiffness against load. The idealized dendrite solid is loaded in compression and tension to compute values for strength and Poisson's effects. Parametric studies are conducted, to calibrate the statistical parameters of the discrete model with the physical and mechanical characteristics of the material, so that the familiar experimental trends may be reproduced. The model provides a framework for the study of the mechanical behavior of the material under various states of stress and strain and can be used to model the effects of additives (e.g., fibers) that may be explicitly simulated in the discrete structure.

Multi-scale lung modeling.

PubMed

Tawhai, Merryn H; Bates, Jason H T

2011-05-01

Multi-scale modeling of biological systems has recently become fashionable due to the growing power of digital computers as well as to the growing realization that integrative systems behavior is as important to life as is the genome. While it is true that the behavior of a living organism must ultimately be traceable to all its components and their myriad interactions, attempting to codify this in its entirety in a model misses the insights gained from understanding how collections of system components at one level of scale conspire to produce qualitatively different behavior at higher levels. The essence of multi-scale modeling thus lies not in the inclusion of every conceivable biological detail, but rather in the judicious selection of emergent phenomena appropriate to the level of scale being modeled. These principles are exemplified in recent computational models of the lung. Airways responsiveness, for example, is an organ-level manifestation of events that begin at the molecular level within airway smooth muscle cells, yet it is not necessary to invoke all these molecular events to accurately describe the contraction dynamics of a cell, nor is it necessary to invoke all phenomena observable at the level of the cell to account for the changes in overall lung function that occur following methacholine challenge. Similarly, the regulation of pulmonary vascular tone has complex origins within the individual smooth muscle cells that line the blood vessels but, again, many of the fine details of cell behavior average out at the level of the organ to produce an effect on pulmonary vascular pressure that can be described in much simpler terms. The art of multi-scale lung modeling thus reduces not to being limitlessly inclusive, but rather to knowing what biological details to leave out.

The effects of combined supplementary cementitious materials on physical properties of Kansas concrete pavements.

DOT National Transportation Integrated Search

2013-12-01

This study evaluated the effects of combining varying proportions of slag cement and Class C fly ash : with Type I/II cement in concrete pavement. Three different ternary cementitious material combinations : containing slag cement and Class C fly ash...

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.

Computational Modeling of Multi-Scale Material Features in Cement Paste - An Overview

DTIC Science & Technology

2015-05-25

and concrete ; though commonly used are one of the most complex in terms of material morphology and structure than most materials, for example...across the multiple scales are required. In this paper, recent work from our research group on the nano to continuum level modeling of cementitious...of our research work consisting of, • Molecular Dynamics (MD) modeling for the nano scale features of the cementitious material chemistry. • Micro

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.

Multiscale simulation of molecular processes in cellular environments.

PubMed

Chiricotto, Mara; Sterpone, Fabio; Derreumaux, Philippe; Melchionna, Simone

2016-11-13

We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of forces resulting in a stable and accurate methodology allowing biosystems of unprecedented size to be simulated.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Concussion As a Multi-Scale Complex System: An Interdisciplinary Synthesis of Current Knowledge

PubMed Central

Kenzie, Erin S.; Parks, Elle L.; Bigler, Erin D.; Lim, Miranda M.; Chesnutt, James C.; Wakeland, Wayne

2017-01-01

Traumatic brain injury (TBI) has been called “the most complicated disease of the most complex organ of the body” and is an increasingly high-profile public health issue. Many patients report long-term impairments following even “mild” injuries, but reliable criteria for diagnosis and prognosis are lacking. Every clinical trial for TBI treatment to date has failed to demonstrate reliable and safe improvement in outcomes, and the existing body of literature is insufficient to support the creation of a new classification system. Concussion, or mild TBI, is a highly heterogeneous phenomenon, and numerous factors interact dynamically to influence an individual’s recovery trajectory. Many of the obstacles faced in research and clinical practice related to TBI and concussion, including observed heterogeneity, arguably stem from the complexity of the condition itself. To improve understanding of this complexity, we review the current state of research through the lens provided by the interdisciplinary field of systems science, which has been increasingly applied to biomedical issues. The review was conducted iteratively, through multiple phases of literature review, expert interviews, and systems diagramming and represents the first phase in an effort to develop systems models of concussion. The primary focus of this work was to examine concepts and ways of thinking about concussion that currently impede research design and block advancements in care of TBI. Results are presented in the form of a multi-scale conceptual framework intended to synthesize knowledge across disciplines, improve research design, and provide a broader, multi-scale model for understanding concussion pathophysiology, classification, and treatment. PMID:29033888

Toward multiscale modelings of grain-fluid systems

NASA Astrophysics Data System (ADS)

Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon

2017-06-01

Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.

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...

Magnetospheric Multiscale (MMS) [video

NASA Image and Video Library

2014-05-09

MMS Spacecraft Animation The Magnetospheric Multiscale (MMS) mission is a Solar Terrestrial Probes mission comprising four identically instrumented spacecraft that will use Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes: magnetic reconnection, energetic particle acceleration, and turbulence. These processes occur in all astrophysical plasma systems but can be studied in situ only in our solar system and most efficiently only in Earth's magnetosphere, where they control the dynamics of the geospace environment and play an important role in the processes known as "space weather." Learn more about MMS at www.nasa.gov/mms Learn more about MMS at www.nasa.gov/mms Credit NASA/Goddard The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Facing the challenges of multiscale modelling of bacterial and fungal pathogen–host interactions

PubMed Central

Schleicher, Jana; Conrad, Theresia; Gustafsson, Mika; Cedersund, Gunnar; Guthke, Reinhard

2017-01-01

Abstract Recent and rapidly evolving progress on high-throughput measurement techniques and computational performance has led to the emergence of new disciplines, such as systems medicine and translational systems biology. At the core of these disciplines lies the desire to produce multiscale models: mathematical models that integrate multiple scales of biological organization, ranging from molecular, cellular and tissue models to organ, whole-organism and population scale models. Using such models, hypotheses can systematically be tested. In this review, we present state-of-the-art multiscale modelling of bacterial and fungal infections, considering both the pathogen and host as well as their interaction. Multiscale modelling of the interactions of bacteria, especially Mycobacterium tuberculosis, with the human host is quite advanced. In contrast, models for fungal infections are still in their infancy, in particular regarding infections with the most important human pathogenic fungi, Candida albicans and Aspergillus fumigatus. We reflect on the current availability of computational approaches for multiscale modelling of host–pathogen interactions and point out current challenges. Finally, we provide an outlook for future requirements of multiscale modelling. PMID:26857943

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.

A Multiscale Material Testing System for In Situ Optical and Electron Microscopes and Its Application

PubMed Central

Ye, Xuan; Cui, Zhiguo; Fang, Huajun; Li, Xide

2017-01-01

We report a novel material testing system (MTS) that uses hierarchical designs for in-situ mechanical characterization of multiscale materials. This MTS is adaptable for use in optical microscopes (OMs) and scanning electron microscopes (SEMs). The system consists of a microscale material testing module (m-MTM) and a nanoscale material testing module (n-MTM). The MTS can measure mechanical properties of materials with characteristic lengths ranging from millimeters to tens of nanometers, while load capacity can vary from several hundred micronewtons to several nanonewtons. The m-MTM is integrated using piezoelectric motors and piezoelectric stacks/tubes to form coarse and fine testing modules, with specimen length from millimeters to several micrometers, and displacement distances of 12 mm with 0.2 µm resolution for coarse level and 8 µm with 1 nm resolution for fine level. The n-MTM is fabricated using microelectromechanical system technology to form active and passive components and realizes material testing for specimen lengths ranging from several hundred micrometers to tens of nanometers. The system’s capabilities are demonstrated by in-situ OM and SEM testing of the system’s performance and mechanical properties measurements of carbon fibers and metallic microwires. In-situ multiscale deformation tests of Bacillus subtilis filaments are also presented. PMID:28777341

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

Multiscale Modeling in the Clinic: Drug Design and Development

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

Clancy, Colleen E.; An, Gary; Cannon, William R.

A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multi-scale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multi-scale 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 tomore » guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multi-scale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical techniques employed for multi-scale modeling approaches used in pharmacology and present several examples illustrating the current state-of-the-art regarding drug development for: Excitable Systems (Heart); Cancer (Metastasis and Differentiation); Cancer (Angiogenesis and Drug Targeting); Metabolic Disorders; and Inflammation and Sepsis. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multi-scale models.« less

A concurrent multiscale micromorphic molecular dynamics

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

Li, Shaofan, E-mail: shaofan@berkeley.edu; 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 firstmore » 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.« less

Multi-scale signed envelope inversion

NASA Astrophysics Data System (ADS)

Chen, Guo-Xin; Wu, Ru-Shan; Wang, Yu-Qing; Chen, Sheng-Chang

2018-06-01

Envelope inversion based on modulation signal mode was proposed to reconstruct large-scale structures of underground media. In order to solve the shortcomings of conventional envelope inversion, multi-scale envelope inversion was proposed using new envelope Fréchet derivative and multi-scale inversion strategy to invert strong contrast models. In multi-scale envelope inversion, amplitude demodulation was used to extract the low frequency information from envelope data. However, only to use amplitude demodulation method will cause the loss of wavefield polarity information, thus increasing the possibility of inversion to obtain multiple solutions. In this paper we proposed a new demodulation method which can contain both the amplitude and polarity information of the envelope data. Then we introduced this demodulation method into multi-scale envelope inversion, and proposed a new misfit functional: multi-scale signed envelope inversion. In the numerical tests, we applied the new inversion method to the salt layer model and SEG/EAGE 2-D Salt model using low-cut source (frequency components below 4 Hz were truncated). The results of numerical test demonstrated the effectiveness of this method.

Secondary Waste Cementitious Waste Form Data Package for the Integrated Disposal Facility Performance Assessment

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

Cantrell, Kirk J.; Westsik, Joseph H.; Serne, R Jeffrey

A review of the most up-to-date and relevant data currently available was conducted to develop a set of recommended values for use in the Integrated Disposal Facility (IDF) performance assessment (PA) to model contaminant release from a cementitious waste form for aqueous wastes treated at the Hanford Effluent Treatment Facility (ETF). This data package relies primarily upon recent data collected on Cast Stone formulations fabricated with simulants of low-activity waste (LAW) and liquid secondary wastes expected to be produced at Hanford. These data were supplemented, when necessary, with data developed for saltstone (a similar grout waste form used at themore » Savannah River Site). Work is currently underway to collect data on cementitious waste forms that are similar to Cast Stone and saltstone but are tailored to the characteristics of ETF-treated liquid secondary wastes. Recommended values for key parameters to conduct PA modeling of contaminant release from ETF-treated liquid waste are provided.« less

Triboluminesence multifunctional cementitious composites with in situ damage sensing capability

NASA Astrophysics Data System (ADS)

Olawale, David O.; Dickens, Tarik; Uddin, Mohammed J.; Okoli, Okenwa O.

2012-04-01

Structural health monitoring of civil infrastructure systems like concrete bridges and dams has become critical because of the aging and overloading of these CIS. Most of the available SHM methods are not in-situ and can be very expensive. The triboluminescence multifunctional cementitious composites (TMCC) have in-built crack detection mechanism that can enable bridge engineers to monitor and detect abnormal crack formation in concrete structures so that timely corrective action can be taken to prevent costly or catastrophic failures. This article reports the fabrication process and test result of the flexural characterization of the TMCC. Accelerated durability test indicated that the 0.5 ZnS:Mn/Epoxy weight fraction ITOF sensor configuration to be more desirable in terms of durability. The alkaline environment at the highest temperature investigated (45 °C) resulted in significant reduction in the mean glass transition and storage moduli of the tested ITOF thin films. Further work is ongoing to correlate the TL response of the TMCC with damage, particularly crack opening.

Multiscale Data Assimilation

DTIC Science & Technology

2014-09-30

good test 3 case to study the multiscale data assimilation capabilities of our GMM-DO filter. We also performed stochastic simulations with our DO...Morakot and internal tides. The ignorance score and Kullback - Leibler divergence were employed to measure the skill of the multiscale pdf forecasts...read off from the posterior of the augmented state vector. We implemented this new smoother and tested it using a 2D-in-space stochastic flow exiting

Recycling polyethylene terephthalate wastes as short fibers in Strain-Hardening Cementitious Composites (SHCC).

PubMed

Lin, Xiuyi; Yu, Jing; Li, Hedong; Lam, Jeffery Y K; Shih, Kaimin; Sham, Ivan M L; Leung, Christopher K Y

2018-05-26

As an important portion of the total plastic waste bulk but lack of reuse and recycling, the enormous amounts of polyethylene terephthalate (PET) solid wastes have led to serious environmental issues. This study explores the feasibility of recycling PET solid wastes as short fibers in Strain-Hardening Cementitious Composites (SHCCs), which exhibit strain-hardening and multiple cracking under tension, and therefore have clear advantages over conventional concrete for many construction applications. Based on micromechanical modeling, fiber dispersion and alkali resistance, the size of recycled PET fibers was first determined. Then the hydrophobic PET surface was treated with NaOH solution followed by a silane coupling agent to achieve the dual purpose of improving the fiber/matrix interfacial frictional bond (from 0.64 MPa to 0.80 MPa) and enhancing the alkali resistance for applications in alkaline cementitious environment. With surface treatment, recycling PET wastes as fibers in SHCCs is a promising approach to significantly reduce the material cost of SHCCs while disposing hazardous PET wastes in construction industry. Copyright © 2018 Elsevier B.V. All rights reserved.

Multiscale analysis and computation for flows in heterogeneous media

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

Efendiev, Yalchin; Hou, T. Y.; Durlofsky, L. J.

Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scalemore » basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics. Below, we present a brief overview of each of these contributions.« less

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.

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.

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.

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

PubMed Central

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.

2016-01-01

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. PMID:27138523

Adaptive Multi-scale Prognostics and Health Management for Smart Manufacturing Systems

PubMed Central

Choo, Benjamin Y.; Adams, Stephen C.; Weiss, Brian A.; Marvel, Jeremy A.; Beling, Peter A.

2017-01-01

The Adaptive Multi-scale Prognostics and Health Management (AM-PHM) is a methodology designed to enable PHM in smart manufacturing systems. In application, PHM information is not yet fully utilized in higher-level decision-making in manufacturing systems. AM-PHM leverages and integrates lower-level PHM information such as from a machine or component with hierarchical relationships across the component, machine, work cell, and assembly line levels in a manufacturing system. The AM-PHM methodology enables the creation of actionable prognostic and diagnostic intelligence up and down the manufacturing process hierarchy. Decisions are then made with the knowledge of the current and projected health state of the system at decision points along the nodes of the hierarchical structure. To overcome the issue of exponential explosion of complexity associated with describing a large manufacturing system, the AM-PHM methodology takes a hierarchical Markov Decision Process (MDP) approach into describing the system and solving for an optimized policy. A description of the AM-PHM methodology is followed by a simulated industry-inspired example to demonstrate the effectiveness of AM-PHM. PMID:28736651

New cementitious system: The case of glass frit

NASA Astrophysics Data System (ADS)

Fares, Galal

Canada ranks as the world's third largest aluminium producer, and more than 80% of its aluminum industry is concentrated in Quebec. However, the spent pot-liner waste produced by the aluminium smelters accumulates with time into a considerable amount threatening the Canadian environment, especially that of Quebec. A new-engineered material, known as glass fit (GF) has been developed through the chemical treatment of such waste. GF shows potential hydraulic and pozzolanic properties. GF has been studied as a binder itself and as a supplementary cementitious material (SCM). The activation of industrial by-products into clinkerless binders is a novel trend that has attracted the attention of many researchers. The activation of GF into binder to produce paste, mortar and concrete was the first aim of this study. Potential activation of GF using different types and combinations of inorganic activators and temperatures of activation was successfully achieved and high strength concretes were obtained. Moreover, mortars with high compressive strength were obtained with well-formulated activators at ambient temperature. On the other hand, the utilization of industrial by-products as a partial replacement for cement in concrete is a widespread practice. As GF contains a high concentration of sodium in its structure, there is a concern as to the effect of sodium content on the development of alkali-silica reaction (ASR) expansion of concrete. Therefore, this study also aimed to investigate the effect of GF sodium content in the enhancement of ASR expansion and to find new synergistic mixtures that can effectively mitigate ASR expansion in the long term. We observed that ASR expansion decreases with the replacement level of GF. Different synergistic diagrams containing known SCM (silica fume, fly ash, and slag) were achieved from which different effective mixtures can effectively alleviate ASR expansion. In conclusion, the use of GF in the manufacture of concrete has great

Extending the Community Multiscale Air Quality (CMAQ) Modeling System to Hemispheric Scales: Overview of Process Considerations and Initial Applications

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) modeling system is extended to simulate ozone, particulate matter, and related precursor distributions throughout the Northern Hemisphere. Modeled processes were examined and enhanced to suitably represent the extended space and timesca...

Investigation on the Activity Activation and Cementitious Property of Coal Gangue with High Iron and Silica Contents

NASA Astrophysics Data System (ADS)

Wu, Hong; Li, Yu; Teng, Min; Yang, Yu

2017-11-01

The activity of coal gangue by thermal activation and composite activation technologies was investigated. The crystal composition, framework structure and morphology change were analyzed by XRD, FT-IR and SEM, respectively. The cementitious property of coal gangue was measured by strength test. The results showed that thermal activation decomposed kaolinite in coal gangue, and formed the metastable structure with a porous state, multiple internal broken bonds and large specific surface areas. Based on thermal activation, the added lime provided the alkaline environment, then this reduced the bond energy of reactant particles and the degree of crystallinity of quartz in coal gangue. The two activation methods could effectively improve the cementitious property of coal gangue based unburned bricks, and that the composite activation technology was superior performance.

About microcracking due to leaching in cementitious composites: X-ray microtomography description and numerical approach

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

Rougelot, Thomas; Burlion, Nicolas, E-mail: nicolas.burlion@polytech-lille.f; Bernard, Dominique

2010-02-15

Chemical shock of cement based materials leads to significant degradation of their physical properties. A typical scenario is a calcium leaching due to water (water with very low pH compared with that of pore fluid). The main objective of this paper is to evaluate the evolution of microstructure induced by leaching of a cementitious composite using synchrotron X-ray micro tomography, mainly from an experimental point of view. In this particular case, it was possible to identify cracking induced by leaching. After a description of the degradation mechanism and the X-ray synchrotron microtomographic analysis, numerical simulations are performed in order tomore » show that cracking is induced by an initial pre-stressing of the composite, coupled with decalcification shrinkage and dramatic decrease in tensile strength during leaching. X-ray microtomography analysis allowed to make evidence of an induced microcracking in cementitious material submitted to leaching.« less

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

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...

Multiscale Materials Modeling Workshop Summary

DOT National Transportation Integrated Search

2013-12-01

This report summarizes a 2-day workshop held to share information on multiscale material modeling. The aim was to gain expert feedback on the state of the art and identify Exploratory Advanced Research (EAR) Program opportunities for multiscale mater...

Multiscale analysis of information dynamics for linear multivariate processes.

PubMed

Faes, Luca; Montalto, Alessandro; Stramaglia, Sebastiano; Nollo, Giandomenico; Marinazzo, Daniele

2016-08-01

In the study of complex physical and physiological systems represented by multivariate time series, an issue of great interest is the description of the system dynamics over a range of different temporal scales. While information-theoretic approaches to the multiscale analysis of complex dynamics are being increasingly used, the theoretical properties of the applied measures are poorly understood. This study introduces for the first time a framework for the analytical computation of information dynamics for linear multivariate stochastic processes explored at different time scales. After showing that the multiscale processing of a vector autoregressive (VAR) process introduces a moving average (MA) component, we describe how to represent the resulting VARMA process using statespace (SS) models and how to exploit the SS model parameters to compute analytical measures of information storage and information transfer for the original and rescaled processes. The framework is then used to quantify multiscale information dynamics for simulated unidirectionally and bidirectionally coupled VAR processes, showing that rescaling may lead to insightful patterns of information storage and transfer but also to potentially misleading behaviors.

Multiscale Simulation of Blood Flow in Brain Arteries with an Aneurysm

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

Leopold Grinberg; Vitali Morozov; Dmitry A. Fedosov

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 themore » 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.« less

Multiscale systems pharmacological analysis of everolimus action in hepatocellular carcinoma.

PubMed

Ande, Anusha; Chaar, Maher; Ait-Oudhia, Sihem

2018-05-03

Dysregulation of mTOR pathway is common in hepatocellular carcinoma (HCC). A translational quantitative systems pharmacology (QSP), pharmacokinetic (PK), and pharmacodynamic (PD) model dissecting the circuitry of this pathway was developed to predict HCC patients' response to everolimus, an mTOR inhibitor. The time course of key signaling proteins in the mTOR pathway, HCC cells viability, tumor volume (TV) and everolimus plasma and tumor concentrations in xenograft mice, clinical PK of everolimus and progression free survival (PFS) in placebo and everolimus-treated patients were extracted from literature. A comprehensive and multiscale QSP/PK/PD model was developed, qualified, and translated to clinical settings. Model fittings and simulations were performed using Monolix software. The S6-kinase protein was identified as critical in the mTOR signaling pathway for describing everolimus lack of efficacy in HCC patients. The net growth rate constant (kg) of HCC cells was estimated at 0.02 h -1 (2.88%RSE). The partition coefficient of everolimus into the tumor (kp) was determined at 0.06 (12.98%RSE). The kg in patients was calculated from the doubling time of TV in naturally progressing HCC patients, and was determined at 0.004 day -1 . Model-predicted and observed PFS were in good agreement for placebo and everolimus-treated patients. In conclusion, a multiscale QSP/PK/PD model elucidating everolimus lack of efficacy in HCC patients was successfully developed and predicted PFS reasonably well compared to observed clinical findings. This model may provide insights into clinical response to everolimus-based therapy and serve as a valuable tool for the clinical translation of efficacy for novel mTOR inhibitors.

Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

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

Hou, Thomas; Efendiev, Yalchin; Tchelepi, Hamdi

2016-05-24

Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scalemore » basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.« less

Selection of nutrient used in biogenic healing agent for cementitious materials

NASA Astrophysics Data System (ADS)

Tziviloglou, Eirini; Wiktor, Virginie; Jonkers, Henk M.; Schlangen, Erik

2017-06-01

Biogenic self-healing cementitious materials target on the closure of micro-cracks with precipitated inorganic minerals originating from bacterial metabolic activity. Dormant bacterial spores and organic mineral compounds often constitute a biogenic healing agent. The current paper focuses on the investigation of the most appropriate organic carbon source to be used as component of a biogenic healing agent. It is of great importance to use an appropriate organic source, since it will firstly ensure an optimal bacterial performance in terms of metabolic activity, while it should secondly affect the least the properties of the cementitious matrix. The selection is made among three different organic compounds, namely calcium lactate, calcium acetate and sodium gluconate. The methodology that was used for the research was based on continuous and non-continuous oxygen consumption measurements of washed bacterial cultures and on compressive strength tests on mortar cubes. The oxygen consumption investigation revealed a preference for calcium lactate and acetate, but an indifferent behaviour for sodium gluconate. The compressive strength on mortar cubes with different amounts of either calcium lactate or acetate (up to 2.24% per cement weight) was not or it was positively affected when the compounds were dissolved in the mixing water. In fact, for calcium lactate the increase in compressive strength reached 8%, while for calcium acetate the maximum strength increase was 13.4%.

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.

Multiscale analysis of neural spike trains.

PubMed

Ramezan, Reza; Marriott, Paul; Chenouri, Shojaeddin

2014-01-30

This paper studies the multiscale analysis of neural spike trains, through both graphical and Poisson process approaches. We introduce the interspike interval plot, which simultaneously visualizes characteristics of neural spiking activity at different time scales. Using an inhomogeneous Poisson process framework, we discuss multiscale estimates of the intensity functions of spike trains. We also introduce the windowing effect for two multiscale methods. Using quasi-likelihood, we develop bootstrap confidence intervals for the multiscale intensity function. We provide a cross-validation scheme, to choose the tuning parameters, and study its unbiasedness. Studying the relationship between the spike rate and the stimulus signal, we observe that adjusting for the first spike latency is important in cross-validation. We show, through examples, that the correlation between spike trains and spike count variability can be multiscale phenomena. Furthermore, we address the modeling of the periodicity of the spike trains caused by a stimulus signal or by brain rhythms. Within the multiscale framework, we introduce intensity functions for spike trains with multiplicative and additive periodic components. Analyzing a dataset from the retinogeniculate synapse, we compare the fit of these models with the Bayesian adaptive regression splines method and discuss the limitations of the methodology. Computational efficiency, which is usually a challenge in the analysis of spike trains, is one of the highlights of these new models. In an example, we show that the reconstruction quality of a complex intensity function demonstrates the ability of the multiscale methodology to crack the neural code. Copyright © 2013 John Wiley & Sons, Ltd.

Multiscale Macromolecular Simulation: Role of Evolving Ensembles

PubMed Central

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

2013-01-01

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 timestep 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. PMID:22978601

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.

Performance of hybrid programming models for multiscale cardiac simulations: preparing for petascale computation.

PubMed

Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

2011-10-01

Future multiscale and multiphysics models that support research into human disease, translational medical science, and treatment can utilize the power of high-performance computing (HPC) systems. We anticipate 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, Pthreads). The objective of this study is to compare the performance of such hybrid programming models when applied to the simulation of a realistic physiological multiscale model of the heart. Our results show that the hybrid models perform favorably when compared to an implementation using only the MPI and, furthermore, that OpenMP in combination with the MPI provides a satisfactory compromise between performance and code complexity. Having the ability to use threads within MPI processes enables the sophisticated use of all processor cores for both computation and communication phases. Considering that HPC systems in 2012 will have two orders of magnitude more cores than what was used in this study, we believe that faster than real-time multiscale cardiac simulations can be achieved on these systems.

Principles and Applications of Ultrasonic-Based Nondestructive Methods for Self-Healing in Cementitious Materials

PubMed Central

Ahn, Eunjong; Kim, Hyunjun; Sim, Sung-Han; Shin, Sung Woo; Shin, Myoungsu

2017-01-01

Recently, self-healing technologies have emerged as a promising approach to extend the service life of social infrastructure in the field of concrete construction. However, current evaluations of the self-healing technologies developed for cementitious materials are mostly limited to lab-scale experiments to inspect changes in surface crack width (by optical microscopy) and permeability. Furthermore, there is a universal lack of unified test methods to assess the effectiveness of self-healing technologies. Particularly, with respect to the self-healing of concrete applied in actual construction, nondestructive test methods are required to avoid interrupting the use of the structures under evaluation. This paper presents a review of all existing research on the principles of ultrasonic test methods and case studies pertaining to self-healing concrete. The main objective of the study is to examine the applicability and limitation of various ultrasonic test methods in assessing the self-healing performance. Finally, future directions on the development of reliable assessment methods for self-healing cementitious materials are suggested. PMID:28772640

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

2016-12-01

Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between

Mechanical Properties and Shear Strengthening Capacity of High Volume Fly Ash-Cementitious Composite

NASA Astrophysics Data System (ADS)

Joseph, Aswin K.; Anand, K. B.

2018-02-01

This paper discusses development of Poly Vinyl Alcohol (PVA) fibre reinforced cementitious composites taking into account environmental sustainability. Composites with fly ash to cement ratios from 0 to 3 are investigated in this study. The mechanical properties of HVFA-cement composite are discussed in this paper at PVA fiber volume fraction maintained at 1% of total volume of composite. The optimum replacement of cement with fly ash was found to be 75%, i.e. fly ash to cement ratio (FA/C) of 3. The increase in fiber content from 1% to 2% showed better mechanical performance. A strain capacity of 2.38% was obtained for FA/C ratio of 3 with 2% volume fraction of fiber. With the objective of evaluating the performance of cementitious composites as a strengthening material in reinforced concrete beams, the beams deficient in shear capacity were strengthened with optimal mix having 2% volume fraction of fiber as the strengthening material and tested under four-point load. The reinforced concrete beams designed as shear deficient were loaded to failure and retrofitted with the composite in order to assess the efficiency as a repair material under shear.

A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

DOE PAGES

Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; ...

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

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. Copyright © 2015 Elsevier Ltd. All rights reserved.

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,…

Multivariate multiscale entropy of financial markets

NASA Astrophysics Data System (ADS)

Lu, Yunfan; Wang, Jun

2017-11-01

In current process of quantifying the dynamical properties of the complex phenomena in financial market system, the multivariate financial time series are widely concerned. In this work, considering the shortcomings and limitations of univariate multiscale entropy in analyzing the multivariate time series, the multivariate multiscale sample entropy (MMSE), which can evaluate the complexity in multiple data channels over different timescales, is applied to quantify the complexity of financial markets. Its effectiveness and advantages have been detected with numerical simulations with two well-known synthetic noise signals. For the first time, the complexity of four generated trivariate return series for each stock trading hour in China stock markets is quantified thanks to the interdisciplinary application of this method. We find that the complexity of trivariate return series in each hour show a significant decreasing trend with the stock trading time progressing. Further, the shuffled multivariate return series and the absolute multivariate return series are also analyzed. As another new attempt, quantifying the complexity of global stock markets (Asia, Europe and America) is carried out by analyzing the multivariate returns from them. Finally we utilize the multivariate multiscale entropy to assess the relative complexity of normalized multivariate return volatility series with different degrees.

Magnetospheric Multiscale Instrument Suite Operations and Data System

NASA Technical Reports Server (NTRS)

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

2015-01-01

The four Magnetospheric Multiscale (MMS) spacecraft will collect a combined volume of approximately 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 (SOC) 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.

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.

Multiscale modelling for tokamak pedestals

NASA Astrophysics Data System (ADS)

Abel, I. G.

2018-04-01

Pedestal modelling is crucial to predict the performance of future fusion devices. Current modelling efforts suffer either from a lack of kinetic physics, or an excess of computational complexity. To ameliorate these problems, we take a first-principles multiscale approach to the pedestal. We will present three separate sets of equations, covering the dynamics of edge localised modes (ELMs), the inter-ELM pedestal and pedestal turbulence, respectively. Precisely how these equations should be coupled to each other is covered in detail. This framework is completely self-consistent; it is derived from first principles by means of an asymptotic expansion of the fundamental Vlasov-Landau-Maxwell system in appropriate small parameters. The derivation exploits the narrowness of the pedestal region, the smallness of the thermal gyroradius and the low plasma (the ratio of thermal to magnetic pressures) typical of current pedestal operation to achieve its simplifications. The relationship between this framework and gyrokinetics is analysed, and possibilities to directly match our systems of equations onto multiscale gyrokinetics are explored. A detailed comparison between our model and other models in the literature is performed. Finally, the potential for matching this framework onto an open-field-line region is briefly discussed.

Review on supplymentary cementitious materials used in inorganic polymer concrete

NASA Astrophysics Data System (ADS)

Srinivasreddy, K.; Srinivasan, K.

2017-11-01

This paper presents a review on various supplementary cementitious materials generated from industries are used in concrete, which one is considered a waste material. These materials are rich in aluminosilicates and are activated by sodium/potassium based alkaline solution to form geopolymer concrete. When these geopolymer concrete is used in civil engineering applications has showed better or similar mechanical properties and durability properties than ordinary Portland cement concrete. This paper also given the overview on sodium hydroxide (NaOH) & sodium silicate solution (Na2SiO3) ratios, curing adopted for different geopolymer concretes and the effect of adding fibres in geopolymer concretes.

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; O'Nualláin, Breanndán; Heggie, Douglas; Lombardi, James; Hut, Piet; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Fuji, Michiko; Gaburov, Evghenii; Glebbeek, Evert; Groen, Derek; Harfst, Stefan; Izzard, Rob; Jurić, Mario; Justham, Stephen; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

We present MUSE, a software framework for tying together existing computational tools for different astrophysical domains into a single multiphysics, multiscale workload. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for a generalized stellar systems workload. MUSE has now reached a "Noah's Ark" milestone, with two available numerical solvers for each domain. MUSE can treat small stellar associations, galaxies and everything in between, including planetary systems, dense stellar clusters and galactic nuclei. Here we demonstrate an examples calculated with MUSE: the merger of two galaxies. In addition we demonstrate the working of MUSE on a distributed computer. The current MUSE code base is publicly available as open source at http://muse.li.

Multiscale modeling of the dynamics of multicellular systems

NASA Astrophysics Data System (ADS)

Kosztin, Ioan

2011-03-01

Describing the biomechanical properties of cellular systems, regarded as complex highly viscoelastic materials, is a difficult problem of great conceptual and practical value. Here we present a novel approach, referred to as the Cellular Particle Dynamics (CPD) method, for: (i) quantitatively relating biomechanical properties at the cell level to those at the multicellular and tissue level, and (ii) describing and predicting the time evolution of multicellular systems that undergo biomechanical relaxations. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. Cell and multicellular level biomechanical properties (e.g., viscosity, surface tension and shear modulus) are determined through the combined use of experiments and theory of continuum viscoelastic media. The same biomechanical properties are also ``measured'' computationally by employing the CPD method, the results being expressed in terms of CPD parameters. Once these parameters have been calibrated experimentally, the formalism provides a systematic framework to predict the time evolution of complex multicellular systems during shape-changing biomechanical transformations. By design, the CPD method is rather flexible and most suitable for multiscale modeling of multicellular system. The spatial level of detail of the system can be easily tuned by changing the number of CPs in a cell. Thus, CPD can be used equally well to describe both cell level processes (e.g., the adhesion of two cells) and tissue level processes (e.g., the formation of 3D constructs of millions of cells through bioprinting). Work supported by NSF [FIBR-0526854 and PHY-0957914

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

Recent Enhancements to the Community Multiscale Air Quality Modeling System (CMAQ)

EPA Science Inventory

EPA’s Office of Research and Development, Computational Exposure Division held a webinar on January 31, 2017 to present the recent scientific and computational updates made by EPA to the Community Multi-Scale Air Quality Model (CMAQ). Topics covered included: (1) Improveme...

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

A fast solver for the Helmholtz equation based on the generalized multiscale finite-element method

NASA Astrophysics Data System (ADS)

Fu, Shubin; Gao, Kai

2017-11-01

Conventional finite-element methods for solving the acoustic-wave Helmholtz equation in highly heterogeneous media usually require finely discretized mesh to represent the medium property variations with sufficient accuracy. Computational costs for solving the Helmholtz equation can therefore be considerably expensive for complicated and large geological models. Based on the generalized multiscale finite-element theory, we develop a novel continuous Galerkin method to solve the Helmholtz equation in acoustic media with spatially variable velocity and mass density. Instead of using conventional polynomial basis functions, we use multiscale basis functions to form the approximation space on the coarse mesh. The multiscale basis functions are obtained from multiplying the eigenfunctions of a carefully designed local spectral problem with an appropriate multiscale partition of unity. These multiscale basis functions can effectively incorporate the characteristics of heterogeneous media's fine-scale variations, thus enable us to obtain accurate solution to the Helmholtz equation without directly solving the large discrete system formed on the fine mesh. Numerical results show that our new solver can significantly reduce the dimension of the discrete Helmholtz equation system, and can also obviously reduce the computational time.

Modeling Framework for Fracture in Multiscale Cement-Based Material Structures

PubMed Central

Qian, Zhiwei; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2017-01-01

Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem for the integrated system of cement paste, mortar, and concrete. The block-by-block technique is employed to solve the length scale overlap challenge between the mortar level (0.1–10 mm) and the concrete level (1–40 mm). The microstructures of cement paste are simulated by the HYMOSTRUC3D model, and the material structures of mortar and concrete are simulated by the Anm material model. Afterwards the 3D lattice fracture model is used to evaluate their mechanical performance by simulating a uniaxial tensile test. The simulated output properties at a lower scale are passed to the next higher scale to serve as input local properties. A three-level multiscale lattice fracture analysis is demonstrated, including cement paste at the micrometer scale, mortar at the millimeter scale, and concrete at centimeter scale. PMID:28772948

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

NASA Astrophysics Data System (ADS)

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-05-01

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

Multiscale Methods for Nuclear Reactor Analysis

NASA Astrophysics Data System (ADS)

Collins, Benjamin S.

The ability to accurately predict local pin powers in nuclear reactors is necessary to understand the mechanisms that cause fuel pin failure during steady state and transient operation. In the research presented here, methods are developed to improve the local solution using high order methods with boundary conditions from a low order global solution. Several different core configurations were tested to determine the improvement in the local pin powers compared to the standard techniques, that use diffusion theory and pin power reconstruction (PPR). Two different multiscale methods were developed and analyzed; the post-refinement multiscale method and the embedded multiscale method. The post-refinement multiscale methods use the global solution to determine boundary conditions for the local solution. The local solution is solved using either a fixed boundary source or an albedo boundary condition; this solution is "post-refinement" and thus has no impact on the global solution. The embedded multiscale method allows the local solver to change the global solution to provide an improved global and local solution. The post-refinement multiscale method is assessed using three core designs. When the local solution has more energy groups, the fixed source method has some difficulties near the interface: however the albedo method works well for all cases. In order to remedy the issue with boundary condition errors for the fixed source method, a buffer region is used to act as a filter, which decreases the sensitivity of the solution to the boundary condition. Both the albedo and fixed source methods benefit from the use of a buffer region. Unlike the post-refinement method, the embedded multiscale method alters the global solution. The ability to change the global solution allows for refinement in areas where the errors in the few group nodal diffusion are typically large. The embedded method is shown to improve the global solution when it is applied to a MOX/LEU assembly

Multiscale Information Transfer in Functional Corticomuscular Coupling Estimation Following Stroke: A Pilot Study

PubMed Central

Chen, Xiaoling; Xie, Ping; Zhang, Yuanyuan; Chen, Yuling; Yang, Fangmei; Zhang, Litai; Li, Xiaoli

2018-01-01

Recently, functional corticomuscular coupling (FCMC) between the cortex and the contralateral muscle has been used to evaluate motor function after stroke. As we know, the motor-control system is a closed-loop system that is regulated by complex self-regulating and interactive mechanisms which operate in multiple spatial and temporal scales. Multiscale analysis can represent the inherent complexity. However, previous studies in FCMC for stroke patients mainly focused on the coupling strength in single-time scale, without considering the changes of the inherently directional and multiscale properties in sensorimotor systems. In this paper, a multiscale-causal model, named multiscale transfer entropy, was used to quantify the functional connection between electroencephalogram over the scalp and electromyogram from the flexor digitorum superficialis (FDS) recorded simultaneously during steady-state grip task in eight stroke patients and eight healthy controls. Our results showed that healthy controls exhibited higher coupling when the scale reached up to about 12, and the FCMC in descending direction was stronger at certain scales (1, 7, 12, and 14) than that in ascending direction. Further analysis showed these multi-time scale characteristics mainly focused on the beta1 band at scale 11 and beta2 band at scale 9, 11, 13, and 15. Compared to controls, the multiscale properties of the FCMC for stroke were changed, the strengths in both directions were reduced, and the gaps between the descending and ascending directions were disappeared over all scales. Further analysis in specific bands showed that the reduced FCMC mainly focused on the alpha2 at higher scale, beta1 and beta2 across almost the entire scales. This study about multi-scale confirms that the FCMC between the brain and muscles is capable of complex and directional characteristics, and these characteristics in functional connection for stroke are destroyed by the structural lesion in the brain that might

Multiscale Modeling and Uncertainty Quantification for Nuclear Fuel Performance

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

Estep, Donald; El-Azab, Anter; Pernice, Michael

2017-03-23

In this project, we will address the challenges associated with constructing high fidelity multiscale models of nuclear fuel performance. We (*) propose a novel approach for coupling mesoscale and macroscale models, (*) devise efficient numerical methods for simulating the coupled system, and (*) devise and analyze effective numerical approaches for error and uncertainty quantification for the coupled multiscale system. As an integral part of the project, we will carry out analysis of the effects of upscaling and downscaling, investigate efficient methods for stochastic sensitivity analysis of the individual macroscale and mesoscale models, and carry out a posteriori error analysis formore » computed results. We will pursue development and implementation of solutions in software used at Idaho National Laboratories on models of interest to the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.« less

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

Cementitious Barriers Partnership (CBP): Using the CBP Software Toolbox to Simulate Sulfate Attack and Carbonation of Concrete Structures - 13481

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

Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.

2013-07-01

The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy Office of Tank Waste Management. The CBP project has developed a set of integrated modeling tools and leaching test methods to help improve understanding and prediction of the long-term hydraulic and chemical performance of cementitious materials used in nuclear applications. State-of-the-art modeling tools, including LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R}, were selected for their demonstrated abilities to simulate reactive transport and degradation in cementitious materials. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF), nowmore » adopted as part of the SW-846 RCRA methods, have been used to help make the link between modeling and experiment. Although each of the CBP tools has demonstrated utility as a standalone product, coupling the models over relevant spatial and temporal solution domains can provide more accurate predictions of cementitious materials behavior over relevant periods of performance. The LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} models were first linked to the GoldSim Monte Carlo simulator to better and more easily characterize model uncertainties and as a means to coupling the models allowing linking to broader performance assessment evaluations that use CBP results for a source term. Two important degradation scenarios were selected for initial demonstration: sulfate ingress / attack and carbonation of cementitious materials. When sufficient sulfate is present in the pore solution external to a concrete barrier, sulfate can diffuse into the concrete, react with the concrete solid phases, and cause cracking that significantly changes the transport and structural properties of the concrete. The penetration of gaseous carbon dioxide within partially saturated concrete usually initiates a series of

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. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

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.

Weighted multiscale Rényi permutation entropy of nonlinear time series

NASA Astrophysics Data System (ADS)

Chen, Shijian; Shang, Pengjian; Wu, Yue

2018-04-01

In this paper, based on Rényi permutation entropy (RPE), which has been recently suggested as a relative measure of complexity in nonlinear systems, we propose multiscale Rényi permutation entropy (MRPE) and weighted multiscale Rényi permutation entropy (WMRPE) to quantify the complexity of nonlinear time series over multiple time scales. First, we apply MPRE and WMPRE to the synthetic data and make a comparison of modified methods and RPE. Meanwhile, the influence of the change of parameters is discussed. Besides, we interpret the necessity of considering not only multiscale but also weight by taking the amplitude into account. Then MRPE and WMRPE methods are employed to the closing prices of financial stock markets from different areas. By observing the curves of WMRPE and analyzing the common statistics, stock markets are divided into 4 groups: (1) DJI, S&P500, and HSI, (2) NASDAQ and FTSE100, (3) DAX40 and CAC40, and (4) ShangZheng and ShenCheng. Results show that the standard deviations of weighted methods are smaller, showing WMRPE is able to ensure the results more robust. Besides, WMPRE can provide abundant dynamical properties of complex systems, and demonstrate the intrinsic mechanism.

A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

NASA Astrophysics Data System (ADS)

Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.

2017-12-01

Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.

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

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE PAGES

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

2018-03-27

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

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

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

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.

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

A Tensor-Product-Kernel Framework for Multiscale Neural Activity Decoding and Control

PubMed Central

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

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

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

Gao, Kai; Fu, Shubin; Chung, Eric T.

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-04

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

A test method for determining adhesion forces and Hamaker constants of cementitious materials using atomic force microscopy

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

Lomboy, Gilson; Sundararajan, Sriram, E-mail: srirams@iastate.edu; Wang Kejin

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 materialsmore » 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.« less

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

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

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 speciationmore » 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

An approach to multiscale modelling with graph grammars.

PubMed

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-09-01

Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

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.

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

An approach to multiscale modelling with graph grammars

PubMed Central

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-01-01

Background and Aims Functional–structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. Methods A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Key Results Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. Conclusions The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models. PMID:25134929

Multi-scale spectrally resolved quantitative fluorescence imaging system: towards neurosurgical guidance in glioma resection

NASA Astrophysics Data System (ADS)

Xie, Yijing; Thom, Maria; Miserocchi, Anna; McEvoy, Andrew W.; Desjardins, Adrien; Ourselin, Sebastien; Vercauteren, Tom

2017-02-01

In glioma resection surgery, the detection of tumour is often guided by using intraoperative fluorescence imaging notably with 5-ALA-PpIX, providing fluorescent contrast between normal brain tissue and the gliomas tissue to achieve improved tumour delineation and prolonged patient survival compared with the conventional white-light guided resection. However, the commercially available fluorescence imaging system relies on surgeon's eyes to visualise and distinguish the fluorescence signals, which unfortunately makes the resection subjective. In this study, we developed a novel multi-scale spectrally-resolved fluorescence imaging system and a computational model for quantification of PpIX concentration. The system consisted of a wide-field spectrally-resolved quantitative imaging device and a fluorescence endomicroscopic imaging system enabling optical biopsy. Ex vivo animal tissue experiments as well as human tumour sample studies demonstrated that the system was capable of specifically detecting the PpIX fluorescent signal and estimate the true concentration of PpIX in brain specimen.

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

Cementitious waste option scoping study report

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

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 asmore » 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.« less

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

Parallelization of fine-scale computation in Agile Multiscale Modelling Methodology

NASA Astrophysics Data System (ADS)

Macioł, Piotr; Michalik, Kazimierz

2016-10-01

Nowadays, multiscale modelling of material behavior is an extensively developed area. An important obstacle against its wide application is high computational demands. Among others, the parallelization of multiscale computations is a promising solution. Heterogeneous multiscale models are good candidates for parallelization, since communication between sub-models is limited. In this paper, the possibility of parallelization of multiscale models based on Agile Multiscale Methodology framework is discussed. A sequential, FEM based macroscopic model has been combined with concurrently computed fine-scale models, employing a MatCalc thermodynamic simulator. The main issues, being investigated in this work are: (i) the speed-up of multiscale models with special focus on fine-scale computations and (ii) on decreasing the quality of computations enforced by parallel execution. Speed-up has been evaluated on the basis of Amdahl's law equations. The problem of `delay error', rising from the parallel execution of fine scale sub-models, controlled by the sequential macroscopic sub-model is discussed. Some technical aspects of combining third-party commercial modelling software with an in-house multiscale framework and a MPI library are also discussed.

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

PubMed Central

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

2016-01-01

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

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. © 2016 Institute of Food Technologists®

Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

NASA Astrophysics Data System (ADS)

Fasanella, Nicholas A.

Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment

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.

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.

The Cementitious Barriers Partnership Experimental Programs and Software Advancing DOE’s Waste Disposal/Tank Closure Efforts – 15436

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

Burns, Heather; Flach, Greg; Smith, Frank

2015-01-27

The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management-sponsored 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. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: long-term performance predictions, flow sheet development and flow sheet enhancements, and conceptual designs for new disposal facilities. The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods andmore » data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox –“Version 2.0” which provides concrete degradation models for 1) sulfate attack, 2) carbonation, and 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex, including future SRS Saltstone and HLW tank performance assessments and special analyses, Hanford site HLW tank closure projects and other projects in which cementitious barriers are required, the Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations, regulatory reviews of DOE

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.

Multiscale model reduction for shale gas transport in poroelastic fractured media

NASA Astrophysics Data System (ADS)

Akkutlu, I. Yucel; Efendiev, Yalchin; Vasilyeva, Maria; Wang, Yuhe

2018-01-01

Inherently coupled flow and geomechanics processes in fractured shale media have implications for shale gas production. The system involves highly complex geo-textures comprised of a heterogeneous anisotropic fracture network spatially embedded in an ultra-tight matrix. In addition, nonlinearities due to viscous flow, diffusion, and desorption in the matrix and high velocity gas flow in the fractures complicates the transport. In this paper, we develop a multiscale model reduction approach to couple gas flow and geomechanics in fractured shale media. A Discrete Fracture Model (DFM) is used to treat the complex network of fractures on a fine grid. The coupled flow and geomechanics equations are solved using a fixed stress-splitting scheme by solving the pressure equation using a continuous Galerkin method and the displacement equation using an interior penalty discontinuous Galerkin method. We develop a coarse grid approximation and coupling using the Generalized Multiscale Finite Element Method (GMsFEM). GMsFEM constructs the multiscale basis functions in a systematic way to capture the fracture networks and their interactions with the shale matrix. Numerical results and an error analysis is provided showing that the proposed approach accurately captures the coupled process using a few multiscale basis functions, i.e. a small fraction of the degrees of freedom of the fine-scale problem.

Multiscale measurement error models for aggregated small area health data.

PubMed

Aregay, Mehreteab; Lawson, Andrew B; Faes, Christel; Kirby, Russell S; Carroll, Rachel; Watjou, Kevin

2016-08-01

Spatial data are often aggregated from a finer (smaller) to a coarser (larger) geographical level. The process of data aggregation induces a scaling effect which smoothes the variation in the data. To address the scaling problem, multiscale models that link the convolution models at different scale levels via the shared random effect have been proposed. One of the main goals in aggregated health data is to investigate the relationship between predictors and an outcome at different geographical levels. In this paper, we extend multiscale models to examine whether a predictor effect at a finer level hold true at a coarser level. To adjust for predictor uncertainty due to aggregation, we applied measurement error models in the framework of multiscale approach. To assess the benefit of using multiscale measurement error models, we compare the performance of multiscale models with and without measurement error in both real and simulated data. We found that ignoring the measurement error in multiscale models underestimates the regression coefficient, while it overestimates the variance of the spatially structured random effect. On the other hand, accounting for the measurement error in multiscale models provides a better model fit and unbiased parameter estimates. © The Author(s) 2016.

Incorporation mode effect of Nano-silica on the rheological and mechanical properties of cementitious pastes and cement mortars

NASA Astrophysics Data System (ADS)

Safi, B.; Aknouche, H.; Mechakra, H.; Aboutaleb, D.; Bouali, K.

2018-04-01

Previous research indicates that the inclusion of nanosilica (NS) modifies the properties of the fresh and hardened state, compared to the traditional mineral additions. NS decreases the setting times of the cement mortar compared to silica fume (SF) and reduce of required water while improving the cohesion of the mixtures in the fresh state. Some authors estimate that the appropriate percentage of Nano-silica should be small (1 to 5% by weight) because of difficulties caused by agglomeration to particles during mixing, while others indicate that 10% by weight, if adjustments are made to the formulation to avoid an excess of self-drying and micro cracks that could impede strength. For this purpose, the present work aim to see the effect of the introduction mode of the nanosilica on the rheological and physic mechanical properties of cement mortars. In this study, NS was used either powdered with cement or in solution with the superplasticizer (Superplasticizer doped in nanosilica). Results show that the use of nanosilica powder (replacing cement on the one hand) has a negative influence on the rheological parameters and the rheological behavior of cementitious pastes. However, the introduction of nanosilica in solution in the superplasticizer (SP) was significantly improved the rheological parameters and the rheological behavior of cementitious pastes. Indeed, more the dosage of NS-doped SP increases more the shear stress and viscosities of the cementitious pastes become more fluid and manageable. A significant reduction of shear stress and plastic viscosity were observed that due to the increase in superplasticizer. A dosage of 1.5% NS-doped SP gave adequate fluidity and the shear rate was lower.

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement

PubMed Central

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-01-01

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro–meso–scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy–enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy–enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates. PMID:28869520

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement.

PubMed

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-09-03

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro-meso-scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy-enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy-enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates.

Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

NASA Technical Reports Server (NTRS)

Naghipour Ghezeljeh, Paria; Arnold, Steven M.; Pineda, Evan J.

2016-01-01

Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

Multiscale structure of time series revealed by the monotony spectrum.

PubMed

Vamoş, Călin

2017-03-01

Observation of complex systems produces time series with specific dynamics at different time scales. The majority of the existing numerical methods for multiscale analysis first decompose the time series into several simpler components and the multiscale structure is given by the properties of their components. We present a numerical method which describes the multiscale structure of arbitrary time series without decomposing them. It is based on the monotony spectrum defined as the variation of the mean amplitude of the monotonic segments with respect to the mean local time scale during successive averagings of the time series, the local time scales being the durations of the monotonic segments. The maxima of the monotony spectrum indicate the time scales which dominate the variations of the time series. We show that the monotony spectrum can correctly analyze a diversity of artificial time series and can discriminate the existence of deterministic variations at large time scales from the random fluctuations. As an application we analyze the multifractal structure of some hydrological time series.

Poincaré-Treshchev Mechanism in Multi-scale, Nearly Integrable Hamiltonian Systems

NASA Astrophysics Data System (ADS)

Xu, Lu; Li, Yong; Yi, Yingfei

2018-02-01

This paper is a continuation to our work (Xu et al. in Ann Henri Poincaré 18(1):53-83, 2017) concerning the persistence of lower-dimensional tori on resonant surfaces of a multi-scale, nearly integrable Hamiltonian system. This type of systems, being properly degenerate, arise naturally in planar and spatial lunar problems of celestial mechanics for which the persistence problem ties closely to the stability of the systems. For such a system, under certain non-degenerate conditions of Rüssmann type, the majority persistence of non-resonant tori and the existence of a nearly full measure set of Poincaré non-degenerate, lower-dimensional, quasi-periodic invariant tori on a resonant surface corresponding to the highest order of scale is proved in Han et al. (Ann Henri Poincaré 10(8):1419-1436, 2010) and Xu et al. (2017), respectively. In this work, we consider a resonant surface corresponding to any intermediate order of scale and show the existence of a nearly full measure set of Poincaré non-degenerate, lower-dimensional, quasi-periodic invariant tori on the resonant surface. The proof is based on a normal form reduction which consists of a finite step of KAM iterations in pushing the non-integrable perturbation to a sufficiently high order and the splitting of resonant tori on the resonant surface according to the Poincaré-Treshchev mechanism.

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

Multiscale turbulence models based on convected fluid microstructure

NASA Astrophysics Data System (ADS)

Holm, Darryl D.; Tronci, Cesare

2012-11-01

The Euler-Poincaré approach to complex fluids is used to derive multiscale equations for computationally modeling Euler flows as a basis for modeling turbulence. The model is based on a kinematic sweeping ansatz (KSA) which assumes that the mean fluid flow serves as a Lagrangian frame of motion for the fluctuation dynamics. Thus, we regard the motion of a fluid parcel on the computationally resolvable length scales as a moving Lagrange coordinate for the fluctuating (zero-mean) motion of fluid parcels at the unresolved scales. Even in the simplest two-scale version on which we concentrate here, the contributions of the fluctuating motion under the KSA to the mean motion yields a system of equations that extends known results and appears to be suitable for modeling nonlinear backscatter (energy transfer from smaller to larger scales) in turbulence using multiscale methods.

A weak Galerkin generalized multiscale finite element method

DOE PAGES

Mu, Lin; Wang, Junping; Ye, Xiu

2016-03-31

In this study, we propose a general framework for weak Galerkin generalized multiscale (WG-GMS) finite element method for the elliptic problems with rapidly oscillating or high contrast coefficients. This general WG-GMS method features in high order accuracy on general meshes and can work with multiscale basis derived by different numerical schemes. A special case is studied under this WG-GMS framework in which the multiscale basis functions are obtained by solving local problem with the weak Galerkin finite element method. Convergence analysis and numerical experiments are obtained for the special case.

A weak Galerkin generalized multiscale finite element method

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

Mu, Lin; Wang, Junping; Ye, Xiu

In this study, we propose a general framework for weak Galerkin generalized multiscale (WG-GMS) finite element method for the elliptic problems with rapidly oscillating or high contrast coefficients. This general WG-GMS method features in high order accuracy on general meshes and can work with multiscale basis derived by different numerical schemes. A special case is studied under this WG-GMS framework in which the multiscale basis functions are obtained by solving local problem with the weak Galerkin finite element method. Convergence analysis and numerical experiments are obtained for the special case.

Multi-Scale Scattering Transform in Music Similarity Measuring

NASA Astrophysics Data System (ADS)

Wang, Ruobai

Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

Alternative transitions between existing representations in multi-scale maps

NASA Astrophysics Data System (ADS)

Dumont, Marion; Touya, Guillaume; Duchêne, Cécile

2018-05-01

Map users may have issues to achieve multi-scale navigation tasks, as cartographic objects may have various representations across scales. We assume that adding intermediate representations could be one way to reduce the differences between existing representations, and to ease the transitions across scales. We consider an existing multiscale map on the scale range from 1 : 25k to 1 : 100k scales. Based on hypotheses about intermediate representations design, we build custom multi-scale maps with alternative transitions. We will conduct in a next future a user evaluation to compare the efficiency of these alternative maps for multi-scale navigation. This paper discusses the hypotheses and production process of these alternative maps.

Multiscale Persistent Functions for Biomolecular Structure Characterization

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

Xia, Kelin; Li, Zhiming; Mu, Lin

Here in this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions (MRFs) with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy (MPE) model is discussed in great detail. Mathematically, unlike the previous persistent entropy (Chintakunta et al. in Pattern Recognit 48(2):391–401, 2015; Merelli et al. in Entropy 17(10):6872–6892, 2015; Rucco et al. in: Proceedings of ECCS 2014, Springer, pp 117–128, 2016), a special resolutionmore » parameter is incorporated into our model. Various scales can be achieved by tuning its value. Physically, our MPE can be used in conformational entropy evaluation. More specifically, it is found that our method incorporates in it a natural classification scheme. This is achieved through a density filtration of an MRF built from angular distributions. To further validate our model, a systematical comparison with the traditional entropy evaluation model is done. Additionally, it is found that our model is able to preserve the intrinsic topological features of biomolecular data much better than traditional approaches, particularly for resolutions in the intermediate range. Moreover, by comparing with traditional entropies from various grid sizes, bond angle-based methods and a persistent homology-based support vector machine method (Cang et al. in Mol Based Math Biol 3:140–162, 2015), we find that our MPE method gives the best results in terms of average true positive rate in a classic protein structure classification test. More interestingly, all-alpha and all-beta protein classes can be clearly separated from each other with zero error only in our model. Finally, a special protein structure index (PSI) is proposed, for

Development of multiscale complexity and multifractality of fetal heart rate variability.

PubMed

Gierałtowski, Jan; Hoyer, Dirk; Tetschke, Florian; Nowack, Samuel; Schneider, Uwe; Zebrowski, Jan

2013-11-01

During fetal development a complex system grows and coordination over multiple time scales is formed towards an integrated behavior of the organism. Since essential cardiovascular and associated coordination is mediated by the autonomic nervous system (ANS) and the ANS activity is reflected in recordable heart rate patterns, multiscale heart rate analysis is a tool predestined for the diagnosis of prenatal maturation. The analyses over multiple time scales requires sufficiently long data sets while the recordings of fetal heart rate as well as the behavioral states studied are themselves short. Care must be taken that the analysis methods used are appropriate for short data lengths. We investigated multiscale entropy and multifractal scaling exponents from 30 minute recordings of 27 normal fetuses, aged between 23 and 38 weeks of gestational age (WGA) during the quiet state. In multiscale entropy, we found complexity lower than that of non-correlated white noise over all 20 coarse graining time scales investigated. Significant maturation age related complexity increase was strongest expressed at scale 2, both using sample entropy and generalized mutual information as complexity estimates. Multiscale multifractal analysis (MMA) in which the Hurst surface h(q,s) is calculated, where q is the multifractal parameter and s is the scale, was applied to the fetal heart rate data. MMA is a method derived from detrended fluctuation analysis (DFA). We modified the base algorithm of MMA to be applicable for short time series analysis using overlapping data windows and a reduction of the scale range. We looked for such q and s for which the Hurst exponent h(q,s) is most correlated with gestational age. We used this value of the Hurst exponent to predict the gestational age based only on fetal heart rate variability properties. Comparison with the true age of the fetus gave satisfying results (error 2.17±3.29 weeks; p<0.001; R(2)=0.52). In addition, we found that the normally

Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

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

Arnold, J.; Kosson, D.S., E-mail: david.s.kosson@vanderbilt.edu; Garrabrants, A.

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.

Multiscale agent-based cancer modeling.

PubMed

Zhang, Le; Wang, Zhihui; Sagotsky, Jonathan A; Deisboeck, Thomas S

2009-04-01

Agent-based modeling (ABM) is an in silico technique that is being used in a variety of research areas such as in social sciences, economics and increasingly in biomedicine as an interdisciplinary tool to study the dynamics of complex systems. Here, we describe its applicability to integrative tumor biology research by introducing a multi-scale tumor modeling platform that understands brain cancer as a complex dynamic biosystem. We summarize significant findings of this work, and discuss both challenges and future directions for ABM in the field of cancer research.

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2014-05-09

Propulsion engineer measures the flight filters during the receiving inspection. Learn more about MMS at www.nasa.gov/mms Credit NASA/Goddard The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Variational multiscale models for charge transport.

PubMed

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

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

Simulated shift work in rats perturbs multiscale regulation of locomotor activity

PubMed Central

Hsieh, Wan-Hsin; Escobar, Carolina; Yugay, Tatiana; Lo, Men-Tzung; Pittman-Polletta, Benjamin; Salgado-Delgado, Roberto; Scheer, Frank A. J. L.; Shea, Steven A.; Buijs, Ruud M.; Hu, Kun

2014-01-01

Motor activity possesses a multiscale regulation that is characterized by fractal activity fluctuations with similar structure across a wide range of timescales spanning minutes to hours. Fractal activity patterns are disturbed in animals after ablating the master circadian pacemaker (suprachiasmatic nucleus, SCN) and in humans with SCN dysfunction as occurs with aging and in dementia, suggesting the crucial role of the circadian system in the multiscale activity regulation. We hypothesized that the normal synchronization between behavioural cycles and the SCN-generated circadian rhythms is required for multiscale activity regulation. To test the hypothesis, we studied activity fluctuations of rats in a simulated shift work protocol that was designed to force animals to be active during the habitual resting phase of the circadian/daily cycle. We found that these animals had gradually decreased mean activity level and reduced 24-h activity rhythm amplitude, indicating disturbed circadian and behavioural cycles. Moreover, these animals had disrupted fractal activity patterns as characterized by more random activity fluctuations at multiple timescales from 4 to 12 h. Intriguingly, these activity disturbances exacerbated when the shift work schedule lasted longer and persisted even in the normal days (without forced activity) following the shift work. The disrupted circadian and fractal patterns resemble those of SCN-lesioned animals and of human patients with dementia, suggesting a detrimental impact of shift work on multiscale activity regulation. PMID:24829282

Toward a global multi-scale heliophysics observatory

NASA Astrophysics Data System (ADS)

Semeter, J. L.

2017-12-01

We live within the only known stellar-planetary system that supports life. What we learn about this system is not only relevant to human society and its expanding reach beyond Earth's surface, but also to our understanding of the origins and evolution of life in the universe. Heliophysics is focused on solar-terrestrial interactions mediated by the magnetic and plasma environment surrounding the planet. A defining feature of energy flow through this environment is interaction across physical scales. A solar disturbance aimed at Earth can excite geospace variability on scales ranging from thousands of kilometers (e.g., global convection, region 1 and 2 currents, electrojet intensifications) to 10's of meters (e.g., equatorial spread-F, dispersive Alfven waves, plasma instabilities). Most "geospace observatory" concepts are focused on a single modality (e.g., HF/UHF radar, magnetometer, optical) providing a limited parameter set over a particular spatiotemporal resolution. Data assimilation methods have been developed to couple heterogeneous and distributed observations, but resolution has typically been prescribed a-priori and according to physical assumptions. This paper develops a conceptual framework for the next generation multi-scale heliophysics observatory, capable of revealing and quantifying the complete spectrum of cross-scale interactions occurring globally within the geospace system. The envisioned concept leverages existing assets, enlists citizen scientists, and exploits low-cost access to the geospace environment. Examples are presented where distributed multi-scale observations have resulted in substantial new insight into the inner workings of our stellar-planetary system.

Multiscale analysis of heart rate dynamics: entropy and time irreversibility measures.

PubMed

Costa, Madalena D; Peng, Chung-Kang; Goldberger, Ary L

2008-06-01

Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and non-equilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools--multiscale entropy and multiscale time irreversibility--are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs.

A real-time multi-scale 2D Gaussian filter based on FPGA

NASA Astrophysics Data System (ADS)

Luo, Haibo; Gai, Xingqin; Chang, Zheng; Hui, Bin

2014-11-01

Multi-scale 2-D Gaussian filter has been widely used in feature extraction (e.g. SIFT, edge etc.), image segmentation, image enhancement, image noise removing, multi-scale shape description etc. However, their computational complexity remains an issue for real-time image processing systems. Aimed at this problem, we propose a framework of multi-scale 2-D Gaussian filter based on FPGA in this paper. Firstly, a full-hardware architecture based on parallel pipeline was designed to achieve high throughput rate. Secondly, in order to save some multiplier, the 2-D convolution is separated into two 1-D convolutions. Thirdly, a dedicate first in first out memory named as CAFIFO (Column Addressing FIFO) was designed to avoid the error propagating induced by spark on clock. Finally, a shared memory framework was designed to reduce memory costs. As a demonstration, we realized a 3 scales 2-D Gaussian filter on a single ALTERA Cyclone III FPGA chip. Experimental results show that, the proposed framework can computing a Multi-scales 2-D Gaussian filtering within one pixel clock period, is further suitable for real-time image processing. Moreover, the main principle can be popularized to the other operators based on convolution, such as Gabor filter, Sobel operator and so on.

2D deblending using the multi-scale shaping scheme

NASA Astrophysics Data System (ADS)

Li, Qun; Ban, Xingan; Gong, Renbin; Li, Jinnuo; Ge, Qiang; Zu, Shaohuan

2018-01-01

Deblending can be posed as an inversion problem, which is ill-posed and requires constraint to obtain unique and stable solution. In blended record, signal is coherent, whereas interference is incoherent in some domains (e.g., common receiver domain and common offset domain). Due to the different sparsity, coefficients of signal and interference locate in different curvelet scale domains and have different amplitudes. Take into account the two differences, we propose a 2D multi-scale shaping scheme to constrain the sparsity to separate the blended record. In the domain where signal concentrates, the multi-scale scheme passes all the coefficients representing signal, while, in the domain where interference focuses, the multi-scale scheme suppresses the coefficients representing interference. Because the interference is suppressed evidently at each iteration, the constraint of multi-scale shaping operator in all scale domains are weak to guarantee the convergence of algorithm. We evaluate the performance of the multi-scale shaping scheme and the traditional global shaping scheme by using two synthetic and one field data examples.

Multi-Scale Microstructural Thermoelectric Materials: Transport Behavior, Non-Equilibrium Preparation, and Applications.

PubMed

Su, Xianli; Wei, Ping; Li, Han; Liu, Wei; Yan, Yonggao; Li, Peng; Su, Chuqi; Xie, Changjun; Zhao, Wenyu; Zhai, Pengcheng; Zhang, Qingjie; Tang, Xinfeng; Uher, Ctirad

2017-05-01

Considering only about one third of the world's energy consumption is effectively utilized for functional uses, and the remaining is dissipated as waste heat, thermoelectric (TE) materials, which offer a direct and clean thermal-to-electric conversion pathway, have generated a tremendous worldwide interest. The last two decades have witnessed a remarkable development in TE materials. This Review summarizes the efforts devoted to the study of non-equilibrium synthesis of TE materials with multi-scale structures, their transport behavior, and areas of applications. Studies that work towards the ultimate goal of developing highly efficient TE materials possessing multi-scale architectures are highlighted, encompassing the optimization of TE performance via engineering the structures with different dimensional aspects spanning from the atomic and molecular scales, to nanometer sizes, and to the mesoscale. In consideration of the practical applications of high-performance TE materials, the non-equilibrium approaches offer a fast and controllable fabrication of multi-scale microstructures, and their scale up to industrial-size manufacturing is emphasized here. Finally, the design of two integrated power generating TE systems are described-a solar thermoelectric-photovoltaic hybrid system and a vehicle waste heat harvesting system-that represent perhaps the most important applications of thermoelectricity in the energy conversion area. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiscale free-space optical interconnects for intrachip global communication: motivation, analysis, and experimental validation.

PubMed

McFadden, Michael J; Iqbal, Muzammil; Dillon, Thomas; Nair, Rohit; Gu, Tian; Prather, Dennis W; Haney, Michael W

2006-09-01

The use of optical interconnects for communication between points on a microchip is motivated by system-level interconnect modeling showing the saturation of metal wire capacity at the global layer. Free-space optical solutions are analyzed for intrachip communication at the global layer. A multiscale solution comprising microlenses, etched compound slope microprisms, and a curved mirror is shown to outperform a single-scale alternative. Microprisms are designed and fabricated and inserted into an optical setup apparatus to experimentally validate the concept. The multiscale free-space system is shown to have the potential to provide the bandwidth density and configuration flexibility required for global communication in future generations of microchips.

Bioaccessibility of nutrients and micronutrients from dispersed food systems: impact of the multiscale bulk and interfacial structures.

PubMed

Marze, Sébastien

2013-01-01

Many food systems are dispersed systems, that is, they possess at least two immiscible phases. This is generally due to the coexistence of domains with different physicochemical properties separated by many interfaces which control the apparent thermodynamic equilibrium. This feature was and is still largely studied to design pharmaceutical delivery systems. In food science, the recent intensification of in vitro digestion tests to complement the in vivo ones holds promises in the identification of the key parameters controlling the bioaccessibility of nutrients and micronutrients. In this review, we present the developments of in vitro digestion tests for dispersed food systems (mainly emulsions, dispersions and gels). We especially highlight the evidences detailing the roles of the constituting multiscale structures. In a perspective section, we show the potential of structured interfaces to allow controlled bioaccessibility.

Non-Markovian properties and multiscale hidden Markovian network buried in single molecule time series

NASA Astrophysics Data System (ADS)

Sultana, Tahmina; Takagi, Hiroaki; Morimatsu, Miki; Teramoto, Hiroshi; Li, Chun-Biu; Sako, Yasushi; Komatsuzaki, Tamiki

2013-12-01

We present a novel scheme to extract a multiscale state space network (SSN) from single-molecule time series. The multiscale SSN is a type of hidden Markov model that takes into account both multiple states buried in the measurement and memory effects in the process of the observable whenever they exist. Most biological systems function in a nonstationary manner across multiple timescales. Combined with a recently established nonlinear time series analysis based on information theory, a simple scheme is proposed to deal with the properties of multiscale and nonstationarity for a discrete time series. We derived an explicit analytical expression of the autocorrelation function in terms of the SSN. To demonstrate the potential of our scheme, we investigated single-molecule time series of dissociation and association kinetics between epidermal growth factor receptor (EGFR) on the plasma membrane and its adaptor protein Ash/Grb2 (Grb2) in an in vitro reconstituted system. We found that our formula successfully reproduces their autocorrelation function for a wide range of timescales (up to 3 s), and the underlying SSNs change their topographical structure as a function of the timescale; while the corresponding SSN is simple at the short timescale (0.033-0.1 s), the SSN at the longer timescales (0.1 s to ˜3 s) becomes rather complex in order to capture multiscale nonstationary kinetics emerging at longer timescales. It is also found that visiting the unbound form of the EGFR-Grb2 system approximately resets all information of history or memory of the process.

Multiscale modeling and simulation of brain blood flow

NASA Astrophysics Data System (ADS)

Perdikaris, Paris; Grinberg, Leopold; Karniadakis, George Em

2016-02-01

The aim of this work is to present an overview of recent advances in multi-scale modeling of brain blood flow. In particular, we present some approaches that enable the in silico study of multi-scale and multi-physics phenomena in the cerebral vasculature. We discuss the formulation of continuum and atomistic modeling approaches, present a consistent framework for their concurrent coupling, and list some of the challenges that one needs to overcome in achieving a seamless and scalable integration of heterogeneous numerical solvers. The effectiveness of the proposed framework is demonstrated in a realistic case involving modeling the thrombus formation process taking place on the wall of a patient-specific cerebral aneurysm. This highlights the ability of multi-scale algorithms to resolve important biophysical processes that span several spatial and temporal scales, potentially yielding new insight into the key aspects of brain blood flow in health and disease. Finally, we discuss open questions in multi-scale modeling and emerging topics of future research.

Multiscale entropy-based methods for heart rate variability complexity analysis

NASA Astrophysics Data System (ADS)

Silva, Luiz Eduardo Virgilio; Cabella, Brenno Caetano Troca; Neves, Ubiraci Pereira da Costa; Murta Junior, Luiz Otavio

2015-03-01

Physiologic complexity is an important concept to characterize time series from biological systems, which associated to multiscale analysis can contribute to comprehension of many complex phenomena. Although multiscale entropy has been applied to physiological time series, it measures irregularity as function of scale. In this study we purpose and evaluate a set of three complexity metrics as function of time scales. Complexity metrics are derived from nonadditive entropy supported by generation of surrogate data, i.e. SDiffqmax, qmax and qzero. In order to access accuracy of proposed complexity metrics, receiver operating characteristic (ROC) curves were built and area under the curves was computed for three physiological situations. Heart rate variability (HRV) time series in normal sinus rhythm, atrial fibrillation, and congestive heart failure data set were analyzed. Results show that proposed metric for complexity is accurate and robust when compared to classic entropic irregularity metrics. Furthermore, SDiffqmax is the most accurate for lower scales, whereas qmax and qzero are the most accurate when higher time scales are considered. Multiscale complexity analysis described here showed potential to assess complex physiological time series and deserves further investigation in wide context.

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

Towards practical multiscale approach for analysis of reinforced concrete structures

NASA Astrophysics Data System (ADS)

Moyeda, Arturo; Fish, Jacob

2017-12-01

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

Multiscale Analysis of Heart Rate Dynamics: Entropy and Time Irreversibility Measures

PubMed Central

Peng, Chung-Kang; Goldberger, Ary L.

2016-01-01

Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and nonequilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools— multiscale entropy and multiscale time irreversibility—are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs. PMID:18172763

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

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

Gao, Kai; Fu, Shubin; Gibson, Richard L.

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

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

Gao, Kai, E-mail: kaigao87@gmail.com; Fu, Shubin, E-mail: shubinfu89@gmail.com; Gibson, Richard L., E-mail: gibson@tamu.edu

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE PAGES

Gao, Kai; Fu, Shubin; Gibson, Richard L.; ...

2015-04-14

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Multiscale Embedded Gene Co-expression Network Analysis

PubMed Central

Song, Won-Min; Zhang, Bin

2015-01-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma. PMID:26618778

Multiscale Embedded Gene Co-expression Network Analysis.

PubMed

Song, Won-Min; Zhang, Bin

2015-11-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

Molecular systems biology of ErbB1 signaling: bridging the gap through multiscale modeling and high-performance computing.

PubMed

Shih, Andrew J; Purvis, Jeremy; Radhakrishnan, Ravi

2008-12-01

The complexity in intracellular signaling mechanisms relevant for the conquest of many diseases resides at different levels of organization with scales ranging from the subatomic realm relevant to catalytic functions of enzymes to the mesoscopic realm relevant to the cooperative association of molecular assemblies and membrane processes. Consequently, the challenge of representing and quantifying functional or dysfunctional modules within the networks remains due to the current limitations in our understanding of mesoscopic biology, i.e., how the components assemble into functional molecular ensembles. A multiscale approach is necessary to treat a hierarchy of interactions ranging from molecular (nm, ns) to signaling (microm, ms) length and time scales, which necessitates the development and application of specialized modeling tools. Complementary to multiscale experimentation (encompassing structural biology, mechanistic enzymology, cell biology, and single molecule studies) multiscale modeling offers a powerful and quantitative alternative for the study of functional intracellular signaling modules. Here, we describe the application of a multiscale approach to signaling mediated by the ErbB1 receptor which constitutes a network hub for the cell's proliferative, migratory, and survival programs. Through our multiscale model, we mechanistically describe how point-mutations in the ErbB1 receptor can profoundly alter signaling characteristics leading to the onset of oncogenic transformations. Specifically, we describe how the point mutations induce cascading fragility mechanisms at the molecular scale as well as at the scale of the signaling network to preferentially activate the survival factor Akt. We provide a quantitative explanation for how the hallmark of preferential Akt activation in cell-lines harboring the constitutively active mutant ErbB1 receptors causes these cell-lines to be addicted to ErbB1-mediated generation of survival signals. Consequently

Stochastic and deterministic multiscale models for systems biology: an auxin-transport case study.

PubMed

Twycross, Jamie; Band, Leah R; Bennett, Malcolm J; King, John R; Krasnogor, Natalio

2010-03-26

Stochastic and asymptotic methods are powerful tools in developing multiscale systems biology models; however, little has been done in this context to compare the efficacy of these methods. The majority of current systems biology modelling research, including that of auxin transport, uses numerical simulations to study the behaviour of large systems of deterministic ordinary differential equations, with little consideration of alternative modelling frameworks. In this case study, we solve an auxin-transport model using analytical methods, deterministic numerical simulations and stochastic numerical simulations. Although the three approaches in general predict the same behaviour, the approaches provide different information that we use to gain distinct insights into the modelled biological system. We show in particular that the analytical approach readily provides straightforward mathematical expressions for the concentrations and transport speeds, while the stochastic simulations naturally provide information on the variability of the system. Our study provides a constructive comparison which highlights the advantages and disadvantages of each of the considered modelling approaches. This will prove helpful to researchers when weighing up which modelling approach to select. In addition, the paper goes some way to bridging the gap between these approaches, which in the future we hope will lead to integrative hybrid models.

Multiscale synchrony behaviors of paired financial time series by 3D multi-continuum percolation

NASA Astrophysics Data System (ADS)

Wang, M.; Wang, J.; Wang, B. T.

2018-02-01

Multiscale synchrony behaviors and nonlinear dynamics of paired financial time series are investigated, in an attempt to study the cross correlation relationships between two stock markets. A random stock price model is developed by a new system called three-dimensional (3D) multi-continuum percolation system, which is utilized to imitate the formation mechanism of price dynamics and explain the nonlinear behaviors found in financial time series. We assume that the price fluctuations are caused by the spread of investment information. The cluster of 3D multi-continuum percolation represents the cluster of investors who share the same investment attitude. In this paper, we focus on the paired return series, the paired volatility series, and the paired intrinsic mode functions which are decomposed by empirical mode decomposition. A new cross recurrence quantification analysis is put forward, combining with multiscale cross-sample entropy, to investigate the multiscale synchrony of these paired series from the proposed model. The corresponding research is also carried out for two China stock markets as comparison.

Construction of multi-scale consistent brain networks: methods and applications.

PubMed

Ge, Bao; Tian, Yin; Hu, Xintao; Chen, Hanbo; Zhu, Dajiang; Zhang, Tuo; Han, Junwei; Guo, Lei; Liu, Tianming

2015-01-01

Mapping human brain networks provides a basis for studying brain function and dysfunction, and thus has gained significant interest in recent years. However, modeling human brain networks still faces several challenges including constructing networks at multiple spatial scales and finding common corresponding networks across individuals. As a consequence, many previous methods were designed for a single resolution or scale of brain network, though the brain networks are multi-scale in nature. To address this problem, this paper presents a novel approach to constructing multi-scale common structural brain networks from DTI data via an improved multi-scale spectral clustering applied on our recently developed and validated DICCCOLs (Dense Individualized and Common Connectivity-based Cortical Landmarks). Since the DICCCOL landmarks possess intrinsic structural correspondences across individuals and populations, we employed the multi-scale spectral clustering algorithm to group the DICCCOL landmarks and their connections into sub-networks, meanwhile preserving the intrinsically-established correspondences across multiple scales. Experimental results demonstrated that the proposed method can generate multi-scale consistent and common structural brain networks across subjects, and its reproducibility has been verified by multiple independent datasets. As an application, these multi-scale networks were used to guide the clustering of multi-scale fiber bundles and to compare the fiber integrity in schizophrenia and healthy controls. In general, our methods offer a novel and effective framework for brain network modeling and tract-based analysis of DTI data.

Multiscale Study of Currents Affected by Topography

DTIC Science & Technology

2015-09-30

1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Multiscale Study of Currents Affected by Topography ... topography on the ocean general circulation is challenging because of the multiscale nature of the flow interactions. Small-scale details of the... topography , and the waves, drag, and turbulence generated at the boundary, from meter scale to mesoscale, interact in the boundary layers to influence the

Spatial adaptive sampling in multiscale simulation

NASA Astrophysics Data System (ADS)

Rouet-Leduc, Bertrand; Barros, Kipton; Cieren, Emmanuel; Elango, Venmugil; Junghans, Christoph; Lookman, Turab; Mohd-Yusof, Jamaludin; Pavel, Robert S.; Rivera, Axel Y.; Roehm, Dominic; McPherson, Allen L.; Germann, Timothy C.

2014-07-01

In a common approach to multiscale simulation, an incomplete set of macroscale equations must be supplemented with constitutive data provided by fine-scale simulation. Collecting statistics from these fine-scale simulations is typically the overwhelming computational cost. We reduce this cost by interpolating the results of fine-scale simulation over the spatial domain of the macro-solver. Unlike previous adaptive sampling strategies, we do not interpolate on the potentially very high dimensional space of inputs to the fine-scale simulation. Our approach is local in space and time, avoids the need for a central database, and is designed to parallelize well on large computer clusters. To demonstrate our method, we simulate one-dimensional elastodynamic shock propagation using the Heterogeneous Multiscale Method (HMM); we find that spatial adaptive sampling requires only ≈ 50 ×N0.14 fine-scale simulations to reconstruct the stress field at all N grid points. Related multiscale approaches, such as Equation Free methods, may also benefit from spatial adaptive sampling.

Adaptive multiscale processing for contrast enhancement

NASA Astrophysics Data System (ADS)

Laine, Andrew F.; Song, Shuwu; Fan, Jian; Huda, Walter; Honeyman, Janice C.; Steinbach, Barbara G.

1993-07-01

This paper introduces a novel approach for accomplishing mammographic feature analysis through overcomplete multiresolution representations. We show that efficient representations may be identified from digital mammograms within a continuum of scale space and used to enhance features of importance to mammography. Choosing analyzing functions that are well localized in both space and frequency, results in a powerful methodology for image analysis. We describe methods of contrast enhancement based on two overcomplete (redundant) multiscale representations: (1) Dyadic wavelet transform (2) (phi) -transform. Mammograms are reconstructed from transform coefficients modified at one or more levels by non-linear, logarithmic and constant scale-space weight functions. Multiscale edges identified within distinct levels of transform space provide a local support for enhancement throughout each decomposition. We demonstrate that features extracted from wavelet spaces can provide an adaptive mechanism for accomplishing local contrast enhancement. We suggest that multiscale detection and local enhancement of singularities may be effectively employed for the visualization of breast pathology without excessive noise amplification.

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

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2017-12-08

MMS Four Separate – View of all four spacecraft in the MMS Cleanroom getting prepared for stacking operations. Learn more about MMS at www.nasa.gov/mms Credit NASA/Chris Gunn The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2014-05-09

MMS Stacked – View of the fully stacked MMS prior to being bagged for vibration tests. Learn more about MMS at www.nasa.gov/mms Credit NASA/Chris Gunn The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

A Multiscale Model for Virus Capsid Dynamics

PubMed Central

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

Multiscale Pressure-Balanced Structures in Three-dimensional Magnetohydrodynamic Turbulence

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

Yang, Liping; Zhang, Lei; Feng, Xueshang

2017-02-10

Observations of solar wind turbulence indicate the existence of multiscale pressure-balanced structures (PBSs) in the solar wind. In this work, we conduct a numerical simulation to investigate multiscale PBSs and in particular their formation in compressive magnetohydrodynamic turbulence. By the use of the higher-order Godunov code Athena, a driven compressible turbulence with an imposed uniform guide field is simulated. The simulation results show that both the magnetic pressure and the thermal pressure exhibit a turbulent spectrum with a Kolmogorov-like power law, and that in many regions of the simulation domain they are anticorrelated. The computed wavelet cross-coherence spectra of themore » magnetic pressure and the thermal pressure, as well as their space series, indicate the existence of multiscale PBSs, with the small PBSs being embedded in the large ones. These multiscale PBSs are likely to be related to the highly oblique-propagating slow-mode waves, as the traced multiscale PBS is found to be traveling in a certain direction at a speed consistent with that predicted theoretically for a slow-mode wave propagating in the same direction.« less

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

NASA Technical Reports Server (NTRS)

Liu, Xuan; Furrer, David; Kosters, Jared; Holmes, Jack

2018-01-01

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost

Multiscale geometric modeling of macromolecules I: Cartesian representation

NASA Astrophysics Data System (ADS)

Xia, Kelin; Feng, Xin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

2014-01-01

This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace-Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the

Multiscale Models in the Biomechanics of Plant Growth

PubMed Central

Fozard, John A.

2015-01-01

Plant growth occurs through the coordinated expansion of tightly adherent cells, driven by regulated softening of cell walls. It is an intrinsically multiscale process, with the integrated properties of multiple cell walls shaping the whole tissue. Multiscale models encode physical relationships to bring new understanding to plant physiology and development. PMID:25729061

Simulated shift work in rats perturbs multiscale regulation of locomotor activity.

PubMed

Hsieh, Wan-Hsin; Escobar, Carolina; Yugay, Tatiana; Lo, Men-Tzung; Pittman-Polletta, Benjamin; Salgado-Delgado, Roberto; Scheer, Frank A J L; Shea, Steven A; Buijs, Ruud M; Hu, Kun

2014-07-06

Motor activity possesses a multiscale regulation that is characterized by fractal activity fluctuations with similar structure across a wide range of timescales spanning minutes to hours. Fractal activity patterns are disturbed in animals after ablating the master circadian pacemaker (suprachiasmatic nucleus, SCN) and in humans with SCN dysfunction as occurs with aging and in dementia, suggesting the crucial role of the circadian system in the multiscale activity regulation. We hypothesized that the normal synchronization between behavioural cycles and the SCN-generated circadian rhythms is required for multiscale activity regulation. To test the hypothesis, we studied activity fluctuations of rats in a simulated shift work protocol that was designed to force animals to be active during the habitual resting phase of the circadian/daily cycle. We found that these animals had gradually decreased mean activity level and reduced 24-h activity rhythm amplitude, indicating disturbed circadian and behavioural cycles. Moreover, these animals had disrupted fractal activity patterns as characterized by more random activity fluctuations at multiple timescales from 4 to 12 h. Intriguingly, these activity disturbances exacerbated when the shift work schedule lasted longer and persisted even in the normal days (without forced activity) following the shift work. The disrupted circadian and fractal patterns resemble those of SCN-lesioned animals and of human patients with dementia, suggesting a detrimental impact of shift work on multiscale activity regulation. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Multi-Scale Morphological Analysis of Conductance Signals in Vertical Upward Gas-Liquid Two-Phase Flow

NASA Astrophysics Data System (ADS)

Lian, Enyang; Ren, Yingyu; Han, Yunfeng; Liu, Weixin; Jin, Ningde; Zhao, Junying

2016-11-01

The multi-scale analysis is an important method for detecting nonlinear systems. In this study, we carry out experiments and measure the fluctuation signals from a rotating electric field conductance sensor with eight electrodes. We first use a recurrence plot to recognise flow patterns in vertical upward gas-liquid two-phase pipe flow from measured signals. Then we apply a multi-scale morphological analysis based on the first-order difference scatter plot to investigate the signals captured from the vertical upward gas-liquid two-phase flow loop test. We find that the invariant scaling exponent extracted from the multi-scale first-order difference scatter plot with the bisector of the second-fourth quadrant as the reference line is sensitive to the inhomogeneous distribution characteristics of the flow structure, and the variation trend of the exponent is helpful to understand the process of breakup and coalescence of the gas phase. In addition, we explore the dynamic mechanism influencing the inhomogeneous distribution of the gas phase in terms of adaptive optimal kernel time-frequency representation. The research indicates that the system energy is a factor influencing the distribution of the gas phase and the multi-scale morphological analysis based on the first-order difference scatter plot is an effective method for indicating the inhomogeneous distribution of the gas phase in gas-liquid two-phase flow.

Multiscale Magnetic Underdense Regions on the Solar Surface: Granular and Mesogranular Scales

NASA Astrophysics Data System (ADS)

Berrilli, F.; Scardigli, S.; Giordano, S.

2013-02-01

The Sun is a non-equilibrium, dissipative system subject to an energy flow that originates in its core. Convective overshooting motions create temperature and velocity structures that show a temporal and spatial multiscale evolution. As a result, photospheric structures are generally considered to be a direct manifestation of convective plasma motions. The plasma flows in the photosphere govern the motion of single magnetic elements. These elements are arranged in typical patterns, which are observed as a variety of multiscale magnetic patterns. High-resolution magnetograms of the quiet solar surface revealed the presence of multiscale magnetic underdense regions in the solar photosphere, commonly called voids, which may be considered to be a signature of the underlying convective structure. The analysis of such patterns paves the way for the investigation of all turbulent convective scales, from granular to global. In order to address the question of magnetic structures driven by turbulent convection at granular and mesogranular scales, we used a voids-detection method. The computed distribution of void length scales shows an exponential behavior at scales between 2 and 10 Mm and the absence of features at mesogranular scales. The absence of preferred scales of organization in the 2 - 10 Mm range supports the multiscale nature of flows on the solar surface and the absence of a mesogranular convective scale.

Multiscale Feature Analysis of Salivary Gland Branching Morphogenesis

PubMed Central

Baydil, Banu; Daley, William P.; Larsen, Melinda; Yener, Bülent

2012-01-01

Pattern formation in developing tissues involves dynamic spatio-temporal changes in cellular organization and subsequent evolution of functional adult structures. Branching morphogenesis is a developmental mechanism by which patterns are generated in many developing organs, which is controlled by underlying molecular pathways. Understanding the relationship between molecular signaling, cellular behavior and resulting morphological change requires quantification and categorization of the cellular behavior. In this study, tissue-level and cellular changes in developing salivary gland in response to disruption of ROCK-mediated signaling by are modeled by building cell-graphs to compute mathematical features capturing structural properties at multiple scales. These features were used to generate multiscale cell-graph signatures of untreated and ROCK signaling disrupted salivary gland organ explants. From confocal images of mouse submandibular salivary gland organ explants in which epithelial and mesenchymal nuclei were marked, a multiscale feature set capturing global structural properties, local structural properties, spectral, and morphological properties of the tissues was derived. Six feature selection algorithms and multiway modeling of the data was performed to identify distinct subsets of cell graph features that can uniquely classify and differentiate between different cell populations. Multiscale cell-graph analysis was most effective in classification of the tissue state. Cellular and tissue organization, as defined by a multiscale subset of cell-graph features, are both quantitatively distinct in epithelial and mesenchymal cell types both in the presence and absence of ROCK inhibitors. Whereas tensor analysis demonstrate that epithelial tissue was affected the most by inhibition of ROCK signaling, significant multiscale changes in mesenchymal tissue organization were identified with this analysis that were not identified in previous biological studies. We

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

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

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 aremore » 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.« less

Peridynamic Multiscale Finite Element Methods

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

Costa, Timothy; Bond, Stephen D.; Littlewood, David John

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 andmore » 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

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.

Generalization Performance of Regularized Ranking With Multiscale Kernels.

PubMed

Zhou, Yicong; Chen, Hong; Lan, Rushi; Pan, Zhibin

2016-05-01

The regularized kernel method for the ranking problem has attracted increasing attentions in machine learning. The previous regularized ranking algorithms are usually based on reproducing kernel Hilbert spaces with a single kernel. In this paper, we go beyond this framework by investigating the generalization performance of the regularized ranking with multiscale kernels. A novel ranking algorithm with multiscale kernels is proposed and its representer theorem is proved. We establish the upper bound of the generalization error in terms of the complexity of hypothesis spaces. It shows that the multiscale ranking algorithm can achieve satisfactory learning rates under mild conditions. Experiments demonstrate the effectiveness of the proposed method for drug discovery and recommendation tasks.

Multiscale hidden Markov models for photon-limited imaging

NASA Astrophysics Data System (ADS)

Nowak, Robert D.

1999-06-01

Photon-limited image analysis is often hindered by low signal-to-noise ratios. A novel Bayesian multiscale modeling and analysis method is developed in this paper to assist in these challenging situations. In addition to providing a very natural and useful framework for modeling an d processing images, Bayesian multiscale analysis is often much less computationally demanding compared to classical Markov random field models. This paper focuses on a probabilistic graph model called the multiscale hidden Markov model (MHMM), which captures the key inter-scale dependencies present in natural image intensities. The MHMM framework presented here is specifically designed for photon-limited imagin applications involving Poisson statistics, and applications to image intensity analysis are examined.

Multiscale simulations of anisotropic particles combining molecular dynamics and Green's function reaction dynamics

NASA Astrophysics Data System (ADS)

Vijaykumar, Adithya; Ouldridge, Thomas E.; ten Wolde, Pieter Rein; Bolhuis, Peter G.

2017-03-01

The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic Brownian, Langevin, or deterministic molecular dynamics to treat reactants at the microscopic scale [A. Vijaykumar, P. G. Bolhuis, and P. R. ten Wolde, J. Chem. Phys. 143, 214102 (2015)]. Here we extend this multiscale MD-GFRD approach to include the orientational dynamics that is crucial to describe the anisotropic interactions often prevalent in biomolecular systems. We present the novel algorithm focusing on Brownian dynamics only, although the methodology is generic. We illustrate the novel algorithm using a simple patchy particle model. After validation of the algorithm, we discuss its performance. The rotational Brownian dynamics MD-GFRD multiscale method will open up the possibility for large scale simulations of protein signalling networks.

An Efficient Multiscale Finite-Element Method for Frequency-Domain Seismic Wave Propagation

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-13

The frequency-domain seismic-wave equation, that is, the Helmholtz equation, has many important applications in seismological studies, yet is very challenging to solve, particularly for large geological models. Iterative solvers, domain decomposition, or parallel strategies can partially alleviate the computational burden, but these approaches may still encounter nontrivial difficulties in complex geological models where a sufficiently fine mesh is required to represent the fine-scale heterogeneities. We develop a novel numerical method to solve the frequency-domain acoustic wave equation on the basis of the multiscale finite-element theory. We discretize a heterogeneous model with a coarse mesh and employ carefully constructed high-order multiscalemore » basis functions to form the basis space for the coarse mesh. Solved from medium- and frequency-dependent local problems, these multiscale basis functions can effectively capture themedium’s fine-scale heterogeneity and the source’s frequency information, leading to a discrete system matrix with a much smaller dimension compared with those from conventional methods.We then obtain an accurate solution to the acoustic Helmholtz equation by solving only a small linear system instead of a large linear system constructed on the fine mesh in conventional methods.We verify our new method using several models of complicated heterogeneities, and the results show that our new multiscale method can solve the Helmholtz equation in complex models with high accuracy and extremely low computational costs.« less

An Efficient Multiscale Finite-Element Method for Frequency-Domain Seismic Wave Propagation

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

Gao, Kai; Fu, Shubin; Chung, Eric T.

The frequency-domain seismic-wave equation, that is, the Helmholtz equation, has many important applications in seismological studies, yet is very challenging to solve, particularly for large geological models. Iterative solvers, domain decomposition, or parallel strategies can partially alleviate the computational burden, but these approaches may still encounter nontrivial difficulties in complex geological models where a sufficiently fine mesh is required to represent the fine-scale heterogeneities. We develop a novel numerical method to solve the frequency-domain acoustic wave equation on the basis of the multiscale finite-element theory. We discretize a heterogeneous model with a coarse mesh and employ carefully constructed high-order multiscalemore » basis functions to form the basis space for the coarse mesh. Solved from medium- and frequency-dependent local problems, these multiscale basis functions can effectively capture themedium’s fine-scale heterogeneity and the source’s frequency information, leading to a discrete system matrix with a much smaller dimension compared with those from conventional methods.We then obtain an accurate solution to the acoustic Helmholtz equation by solving only a small linear system instead of a large linear system constructed on the fine mesh in conventional methods.We verify our new method using several models of complicated heterogeneities, and the results show that our new multiscale method can solve the Helmholtz equation in complex models with high accuracy and extremely low computational costs.« less

Multiscale computing.

PubMed

Kobayashi, M; Irino, T; Sweldens, W

2001-10-23

Multiscale computing (MSC) involves the computation, manipulation, and analysis of information at different resolution levels. Widespread use of MSC algorithms and the discovery of important relationships between different approaches to implementation were catalyzed, in part, by the recent interest in wavelets. We present two examples that demonstrate how MSC can help scientists understand complex data. The first is from acoustical signal processing and the second is from computer graphics.

Multiscale Modeling and Simulation of Material Processing

DTIC Science & Technology

2006-07-01

As a re- GIMP simulations . Fig. 2 illustrates the contact algo- suit, MPM using a single mesh tends to induce early con- rithm for the contact pair ...21-07-2006 Final Performance Report 05-01-2003 - 04-30-2006 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Multiscale Modeling and Simulation of Material...development of scaling laws for multiscale simulations from atomistic to continuum using material testing techniques, such as tension and indentation

Filter-based multiscale entropy analysis of complex physiological time series.

PubMed

Xu, Yuesheng; Zhao, Liang

2013-08-01

Multiscale entropy (MSE) has been widely and successfully used in analyzing the complexity of physiological time series. We reinterpret the averaging process in MSE as filtering a time series by a filter of a piecewise constant type. From this viewpoint, we introduce filter-based multiscale entropy (FME), which filters a time series to generate multiple frequency components, and then we compute the blockwise entropy of the resulting components. By choosing filters adapted to the feature of a given time series, FME is able to better capture its multiscale information and to provide more flexibility for studying its complexity. Motivated by the heart rate turbulence theory, which suggests that the human heartbeat interval time series can be described in piecewise linear patterns, we propose piecewise linear filter multiscale entropy (PLFME) for the complexity analysis of the time series. Numerical results from PLFME are more robust to data of various lengths than those from MSE. The numerical performance of the adaptive piecewise constant filter multiscale entropy without prior information is comparable to that of PLFME, whose design takes prior information into account.

Nonlinear dynamics of the complex multi-scale network

NASA Astrophysics Data System (ADS)

Makarov, Vladimir V.; Kirsanov, Daniil; Goremyko, Mikhail; Andreev, Andrey; Hramov, Alexander E.

2018-04-01

In this paper, we study the complex multi-scale network of nonlocally coupled oscillators for the appearance of chimera states. Chimera is a special state in which, in addition to the asynchronous cluster, there are also completely synchronous parts in the system. We show that the increase of nodes in subgroups leads to the destruction of the synchronous interaction within the common ring and to the narrowing of the chimera region.

Time irreversibility of financial time series based on higher moments and multiscale Kullback-Leibler divergence

NASA Astrophysics Data System (ADS)

Li, Jinyang; Shang, Pengjian

2018-07-01

Irreversibility is an important property of time series. In this paper, we propose the higher moments and multiscale Kullback-Leibler divergence to analyze time series irreversibility. The higher moments Kullback-Leibler divergence (HMKLD) can amplify irreversibility and make the irreversibility variation more obvious. Therefore, many time series whose irreversibility is hard to be found are also able to show the variations. We employ simulated data and financial stock data to test and verify this method, and find that HMKLD of stock data is growing in the form of fluctuations. As for multiscale Kullback-Leibler divergence (MKLD), it is very complex in the dynamic system, so that exploring the law of simulation and stock system is difficult. In conventional multiscale entropy method, the coarse-graining process is non-overlapping, however we apply a different coarse-graining process and obtain a surprising discovery. The result shows when the scales are 4 and 5, their entropy is nearly similar, which demonstrates MKLD is efficient to display characteristics of time series irreversibility.

Multiscale decoding for reliable brain-machine interface performance over time.

PubMed

Han-Lin Hsieh; Wong, Yan T; Pesaran, Bijan; Shanechi, Maryam M

2017-07-01

Recordings from invasive implants can degrade over time, resulting in a loss of spiking activity for some electrodes. For brain-machine interfaces (BMI), such a signal degradation lowers control performance. Achieving reliable performance over time is critical for BMI clinical viability. One approach to improve BMI longevity is to simultaneously use spikes and other recording modalities such as local field potentials (LFP), which are more robust to signal degradation over time. We have developed a multiscale decoder that can simultaneously model the different statistical profiles of multi-scale spike/LFP activity (discrete spikes vs. continuous LFP). This decoder can also run at multiple time-scales (millisecond for spikes vs. tens of milliseconds for LFP). Here, we validate the multiscale decoder for estimating the movement of 7 major upper-arm joint angles in a non-human primate (NHP) during a 3D reach-to-grasp task. The multiscale decoder uses motor cortical spike/LFP recordings as its input. We show that the multiscale decoder can improve decoding accuracy by adding information from LFP to spikes, while running at the fast millisecond time-scale of the spiking activity. Moreover, this improvement is achieved using relatively few LFP channels, demonstrating the robustness of the approach. These results suggest that using multiscale decoders has the potential to improve the reliability and longevity of BMIs.

Analysis of crude oil markets with improved multiscale weighted permutation entropy

NASA Astrophysics Data System (ADS)

Niu, Hongli; Wang, Jun; Liu, Cheng

2018-03-01

Entropy measures are recently extensively used to study the complexity property in nonlinear systems. Weighted permutation entropy (WPE) can overcome the ignorance of the amplitude information of time series compared with PE and shows a distinctive ability to extract complexity information from data having abrupt changes in magnitude. Improved (or sometimes called composite) multi-scale (MS) method possesses the advantage of reducing errors and improving the accuracy when applied to evaluate multiscale entropy values of not enough long time series. In this paper, we combine the merits of WPE and improved MS to propose the improved multiscale weighted permutation entropy (IMWPE) method for complexity investigation of a time series. Then it is validated effective through artificial data: white noise and 1 / f noise, and real market data of Brent and Daqing crude oil. Meanwhile, the complexity properties of crude oil markets are explored respectively of return series, volatility series with multiple exponents and EEMD-produced intrinsic mode functions (IMFs) which represent different frequency components of return series. Moreover, the instantaneous amplitude and frequency of Brent and Daqing crude oil are analyzed by the Hilbert transform utilized to each IMF.

Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

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

Stander, Nielen; Basudhar, Anirban; Basu, Ushnish

2015-09-14

Comprehensive Test Ban Treaty of 1996 which banned surface testing of nuclear devices [1]. This had the effect that experimental work was reduced from large scale tests to multiscale experiments to provide material models with validation at different length scales. In the subsequent years industry realized that multi-scale modeling and simulation-based design were transferable to the design optimization of any structural system. Horstemeyer [1] lists a number of advantages of the use of multiscale modeling. Among these are: the reduction of product development time by alleviating costly trial-and-error iterations as well as the reduction of product costs through innovations in material, product and process designs. Multi-scale modeling can reduce the number of costly large scale experiments and can increase product quality by providing more accurate predictions. Research tends to be focussed on each particular length scale, which enhances accuracy in the long term. This paper serves as an introduction to the LS-OPT and LS-DYNA methodology for multi-scale modeling. It mainly focuses on an approach to integrate material identification using material models of different length scales. As an example, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a homogenized State Variable (SV) model, is discussed and the parameter identification of the individual material models of different length scales is demonstrated. The paper concludes with thoughts on integrating the multi-scale methodology into the overall vehicle design.« less

A multiscale quantum mechanics/electromagnetics method for device simulations.

PubMed

Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

2015-04-07

Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2014-05-09

Observatory #1 is shown here on the Ransome table, tilted in a vertical position to provide better access for the engineers and technicians. Learn more about MMS at www.nasa.gov/mms Credit NASA/Goddard The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

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...

Finding Multi-scale Connectivity in Our Geospace Observational System: A New Perspective for Total Electron Content Data Through Network Analysis

NASA Astrophysics Data System (ADS)

McGranaghan, R. M.; Mannucci, A. J.; Verkhoglyadova, O. P.; Malik, N.

2017-12-01

How do we evolve beyond current traditional methods in order to innovate into the future? In what disruptive innovations will the next frontier of space physics and aeronomy (SPA) be grounded? We believe the answer to these compelling, yet equally challenging, questions lies in a shift of focus: from a narrow, field-specific view to a radically inclusive, interdisciplinary new modus operandi at the intersection of SPA and the information and data sciences. Concretely addressing these broader themes, we present results from a novel technique for knowledge discovery in the magnetosphere-ionosphere-thermosphere (MIT) system: complex network analysis (NA). We share findings from the first NA of ionospheric total electron content (TEC) data, including hemispheric and interplanetary magnetic field clock angle dependencies [1]. Our work shows that NA complements more traditional approaches for the investigation of TEC structure and dynamics, by both reaffirming well-established understanding, giving credence to the method, and identifying new connections, illustrating the exciting potential. We contextualize these new results through a discussion of the potential of data-driven discovery in the MIT system when innovative data science techniques are embraced. We address implications and potentially disruptive data analysis approaches for SPA in terms of: 1) the future of the geospace observational system; 2) understanding multi-scale phenomena; and 3) machine learning. [1] McGranaghan, R. M., A. J. Mannucci, O. Verkhoglyadova, and N. Malik (2017), Finding multiscale connectivity in our geospace observational system: Network analysis of total electron content, J. Geophys. Res. Space Physics, 122, doi:10.1002/2017JA024202.

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

Multiscale Modeling of Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Mital, Subodh K.; Pineda, Evan J.; Arnold, Steven M.

2015-01-01

Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

Multi-Scale Models for the Scale Interaction of Organized Tropical Convection

NASA Astrophysics Data System (ADS)

Yang, Qiu

Assessing the upscale impact of organized tropical convection from small spatial and temporal scales is a research imperative, not only for having a better understanding of the multi-scale structures of dynamical and convective fields in the tropics, but also for eventually helping in the design of new parameterization strategies to improve the next-generation global climate models. Here self-consistent multi-scale models are derived systematically by following the multi-scale asymptotic methods and used to describe the hierarchical structures of tropical atmospheric flows. The advantages of using these multi-scale models lie in isolating the essential components of multi-scale interaction and providing assessment of the upscale impact of the small-scale fluctuations onto the large-scale mean flow through eddy flux divergences of momentum and temperature in a transparent fashion. Specifically, this thesis includes three research projects about multi-scale interaction of organized tropical convection, involving tropical flows at different scaling regimes and utilizing different multi-scale models correspondingly. Inspired by the observed variability of tropical convection on multiple temporal scales, including daily and intraseasonal time scales, the goal of the first project is to assess the intraseasonal impact of the diurnal cycle on the planetary-scale circulation such as the Hadley cell. As an extension of the first project, the goal of the second project is to assess the intraseasonal impact of the diurnal cycle over the Maritime Continent on the Madden-Julian Oscillation. In the third project, the goals are to simulate the baroclinic aspects of the ITCZ breakdown and assess its upscale impact on the planetary-scale circulation over the eastern Pacific. These simple multi-scale models should be useful to understand the scale interaction of organized tropical convection and help improve the parameterization of unresolved processes in global climate models.

Asymptotic Expansion Homogenization for Multiscale Nuclear Fuel Analysis

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

Hales, J. D.; Tonks, M. R.; Chockalingam, K.

2015-03-01

Engineering scale nuclear fuel performance simulations can benefit by utilizing high-fidelity models running at a lower length scale. Lower length-scale models provide a detailed view of the material behavior that is used to determine the average material response at the macroscale. These lower length-scale calculations may provide insight into material behavior where experimental data is sparse or nonexistent. This multiscale approach is especially useful in the nuclear field, since irradiation experiments are difficult and expensive to conduct. The lower length-scale models complement the experiments by influencing the types of experiments required and by reducing the total number of experiments needed.more » This multiscale modeling approach is a central motivation in the development of the BISON-MARMOT fuel performance codes at Idaho National Laboratory. These codes seek to provide more accurate and predictive solutions for nuclear fuel behavior. One critical aspect of multiscale modeling is the ability to extract the relevant information from the lower length-scale sim- ulations. One approach, the asymptotic expansion homogenization (AEH) technique, has proven to be an effective method for determining homogenized material parameters. The AEH technique prescribes a system of equations to solve at the microscale that are used to compute homogenized material constants for use at the engineering scale. In this work, we employ AEH to explore the effect of evolving microstructural thermal conductivity and elastic constants on nuclear fuel performance. We show that the AEH approach fits cleanly into the BISON and MARMOT codes and provides a natural, multidimensional homogenization capability.« less

EEMD-based multiscale ICA method for slewing bearing fault detection and diagnosis

NASA Astrophysics Data System (ADS)

Žvokelj, Matej; Zupan, Samo; Prebil, Ivan

2016-05-01

A novel multivariate and multiscale statistical process monitoring method is proposed with the aim of detecting incipient failures in large slewing bearings, where subjective influence plays a minor role. The proposed method integrates the strengths of the Independent Component Analysis (ICA) multivariate monitoring approach with the benefits of Ensemble Empirical Mode Decomposition (EEMD), which adaptively decomposes signals into different time scales and can thus cope with multiscale system dynamics. The method, which was named EEMD-based multiscale ICA (EEMD-MSICA), not only enables bearing fault detection but also offers a mechanism of multivariate signal denoising and, in combination with the Envelope Analysis (EA), a diagnostic tool. The multiscale nature of the proposed approach makes the method convenient to cope with data which emanate from bearings in complex real-world rotating machinery and frequently represent the cumulative effect of many underlying phenomena occupying different regions in the time-frequency plane. The efficiency of the proposed method was tested on simulated as well as real vibration and Acoustic Emission (AE) signals obtained through conducting an accelerated run-to-failure lifetime experiment on a purpose-built laboratory slewing bearing test stand. The ability to detect and locate the early-stage rolling-sliding contact fatigue failure of the bearing indicates that AE and vibration signals carry sufficient information on the bearing condition and that the developed EEMD-MSICA method is able to effectively extract it, thereby representing a reliable bearing fault detection and diagnosis strategy.

Beyond Low Rank + Sparse: Multi-scale Low Rank Matrix Decomposition

PubMed Central

Ong, Frank; Lustig, Michael

2016-01-01

We present a natural generalization of the recent low rank + sparse matrix decomposition and consider the decomposition of matrices into components of multiple scales. Such decomposition is well motivated in practice as data matrices often exhibit local correlations in multiple scales. Concretely, we propose a multi-scale low rank modeling that represents a data matrix as a sum of block-wise low rank matrices with increasing scales of block sizes. We then consider the inverse problem of decomposing the data matrix into its multi-scale low rank components and approach the problem via a convex formulation. Theoretically, we show that under various incoherence conditions, the convex program recovers the multi-scale low rank components either exactly or approximately. Practically, we provide guidance on selecting the regularization parameters and incorporate cycle spinning to reduce blocking artifacts. Experimentally, we show that the multi-scale low rank decomposition provides a more intuitive decomposition than conventional low rank methods and demonstrate its effectiveness in four applications, including illumination normalization for face images, motion separation for surveillance videos, multi-scale modeling of the dynamic contrast enhanced magnetic resonance imaging and collaborative filtering exploiting age information. PMID:28450978

The trend of the multi-scale temporal variability of precipitation in Colorado River Basin

NASA Astrophysics Data System (ADS)

Jiang, P.; Yu, Z.

2011-12-01

Hydrological problems like estimation of flood and drought frequencies under future climate change are not well addressed as a result of the disability of current climate models to provide reliable prediction (especially for precipitation) shorter than 1 month. In order to assess the possible impacts that multi-scale temporal distribution of precipitation may have on the hydrological processes in Colorado River Basin (CRB), a comparative analysis of multi-scale temporal variability of precipitation as well as the trend of extreme precipitation is conducted in four regions controlled by different climate systems. Multi-scale precipitation variability including within-storm patterns and intra-annual, inter-annual and decadal variabilities will be analyzed to explore the possible trends of storm durations, inter-storm periods, average storm precipitation intensities and extremes under both long-term natural climate variability and human-induced warming. Further more, we will examine the ability of current climate models to simulate the multi-scale temporal variability and extremes of precipitation. On the basis of these analyses, a statistical downscaling method will be developed to disaggregate the future precipitation scenarios which will provide a more reliable and finer temporal scale precipitation time series for hydrological modeling. Analysis results and downscaling results will be presented.

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.

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 MMSis 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.

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.

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.

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.

Multiscale Enaction Model (MEM): the case of complexity and “context-sensitivity” in vision

PubMed Central

Laurent, Éric

2014-01-01

I review the data on human visual perception that reveal the critical role played by non-visual contextual factors influencing visual activity. The global perspective that progressively emerges reveals that vision is sensitive to multiple couplings with other systems whose nature and levels of abstraction in science are highly variable. Contrary to some views where vision is immersed in modular hard-wired modules, rather independent from higher-level or other non-cognitive processes, converging data gathered in this article suggest that visual perception can be theorized in the larger context of biological, physical, and social systems with which it is coupled, and through which it is enacted. Therefore, any attempt to model complexity and multiscale couplings, or to develop a complex synthesis in the fields of mind, brain, and behavior, shall involve a systematic empirical study of both connectedness between systems or subsystems, and the embodied, multiscale and flexible teleology of subsystems. The conceptual model (Multiscale Enaction Model [MEM]) that is introduced in this paper finally relates empirical evidence gathered from psychology to biocomputational data concerning the human brain. Both psychological and biocomputational descriptions of MEM are proposed in order to help fill in the gap between scales of scientific analysis and to provide an account for both the autopoiesis-driven search for information, and emerging perception. PMID:25566115

Good coupling for the multiscale patch scheme on systems with microscale heterogeneity

NASA Astrophysics Data System (ADS)

Bunder, J. E.; Roberts, A. J.; Kevrekidis, I. G.

2017-05-01

Computational simulation of microscale detailed systems is frequently only feasible over spatial domains much smaller than the macroscale of interest. The 'equation-free' methodology couples many small patches of microscale computations across space to empower efficient computational simulation over macroscale domains of interest. Motivated by molecular or agent simulations, we analyse the performance of various coupling schemes for patches when the microscale is inherently 'rough'. As a canonical problem in this universality class, we systematically analyse the case of heterogeneous diffusion on a lattice. Computer algebra explores how the dynamics of coupled patches predict the large scale emergent macroscale dynamics of the computational scheme. We determine good design for the coupling of patches by comparing the macroscale predictions from patch dynamics with the emergent macroscale on the entire domain, thus minimising the computational error of the multiscale modelling. The minimal error on the macroscale is obtained when the coupling utilises averaging regions which are between a third and a half of the patch. Moreover, when the symmetry of the inter-patch coupling matches that of the underlying microscale structure, patch dynamics predicts the desired macroscale dynamics to any specified order of error. The results confirm that the patch scheme is useful for macroscale computational simulation of a range of systems with microscale heterogeneity.

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

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

Multiscale limited penetrable horizontal visibility graph for analyzing nonlinear time series

NASA Astrophysics Data System (ADS)

Gao, Zhong-Ke; Cai, Qing; Yang, Yu-Xuan; Dang, Wei-Dong; Zhang, Shan-Shan

2016-10-01

Visibility graph has established itself as a powerful tool for analyzing time series. We in this paper develop a novel multiscale limited penetrable horizontal visibility graph (MLPHVG). We use nonlinear time series from two typical complex systems, i.e., EEG signals and two-phase flow signals, to demonstrate the effectiveness of our method. Combining MLPHVG and support vector machine, we detect epileptic seizures from the EEG signals recorded from healthy subjects and epilepsy patients and the classification accuracy is 100%. In addition, we derive MLPHVGs from oil-water two-phase flow signals and find that the average clustering coefficient at different scales allows faithfully identifying and characterizing three typical oil-water flow patterns. These findings render our MLPHVG method particularly useful for analyzing nonlinear time series from the perspective of multiscale network analysis.

Computational design and multiscale modeling of a nanoactuator using DNA actuation.

PubMed

Hamdi, Mustapha

2009-12-02

Developments in the field of nanobiodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.

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.

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.

Magnetospheric Multiscale (MMS)

NASA Image and Video Library

2014-05-09

Electrical technicians work diligently to build the connector harnessing for the Command and Data Handling (C&DH) unit, (black box with two red handles) that is installed on spacecraft Deck for MMS #4. Learn more about MMS at www.nasa.gov/mms Credit NASA/Goddard The Magnetospheric Multiscale, or MMS, will study how the sun and the Earth's magnetic fields connect and disconnect, an explosive process that can accelerate particles through space to nearly the speed of light. This process is called magnetic reconnection and can occur throughout all space. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Quantifying complexity of financial short-term time series by composite multiscale entropy measure

NASA Astrophysics Data System (ADS)

Niu, Hongli; Wang, Jun

2015-05-01

It is significant to study the complexity of financial time series since the financial market is a complex evolved dynamic system. Multiscale entropy is a prevailing method used to quantify the complexity of a time series. Due to its less reliability of entropy estimation for short-term time series at large time scales, a modification method, the composite multiscale entropy, is applied to the financial market. To qualify its effectiveness, its applications in the synthetic white noise and 1 / f noise with different data lengths are reproduced first in the present paper. Then it is introduced for the first time to make a reliability test with two Chinese stock indices. After conducting on short-time return series, the CMSE method shows the advantages in reducing deviations of entropy estimation and demonstrates more stable and reliable results when compared with the conventional MSE algorithm. Finally, the composite multiscale entropy of six important stock indices from the world financial markets is investigated, and some useful and interesting empirical results are obtained.

Nano-modification to improve the ductility of cementitious composites

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

Yeşilmen, Seda; Al-Najjar, Yazin; Balav, Mohammad Hatam

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 flexuralmore » 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.« less

An optimized algorithm for multiscale wideband deconvolution of radio astronomical images

NASA Astrophysics Data System (ADS)

Offringa, A. R.; Smirnov, O.

2017-10-01

We describe a new multiscale deconvolution algorithm that can also be used in a multifrequency mode. The algorithm only affects the minor clean loop. In single-frequency mode, the minor loop of our improved multiscale algorithm is over an order of magnitude faster than the casa multiscale algorithm, and produces results of similar quality. For multifrequency deconvolution, a technique named joined-channel cleaning is used. In this mode, the minor loop of our algorithm is two to three orders of magnitude faster than casa msmfs. We extend the multiscale mode with automated scale-dependent masking, which allows structures to be cleaned below the noise. We describe a new scale-bias function for use in multiscale cleaning. We test a second deconvolution method that is a variant of the moresane deconvolution technique, and uses a convex optimization technique with isotropic undecimated wavelets as dictionary. On simple well-calibrated data, the convex optimization algorithm produces visually more representative models. On complex or imperfect data, the convex optimization algorithm has stability issues.

Characterization and application of automated in-vacuum PIXE/EBS system for direct analysis of chloride and sulfate ions attack in cementitious materials

NASA Astrophysics Data System (ADS)

Rihawy, M. S.; Alwazzeh, M.; Abbas, K.

2018-01-01

Ion beam analysis (IBA) techniques (Particle Induced X-ray Emission, PIXE and Elastic Backscattering Spectrometry, EBS), were applied to investigate chloride and sulfate ions diffusion into laboratory prepared mortar samples. Development and characterization of an automated in-vacuum macro PIXE/EBS system is thoroughly discussed. Depth profile information of both chloride and sulfate ions in laboratory prepared mortar samples, after immersion in sea water for nine months, was rapidly and easily obtained at fairly low cost and with standardless analysis, demonstrating the value of the application of IBA to elemental depth profiling in cementitious materials. Chloride and sulfate depth profiles were obtained for two sets of mortar samples, one prepared with different water/cement (W/C) ratios and the other with different sand/cement (S/C) ratios. Results showed higher diffusion rates of both chloride and sulfate ions when both ratios are increased. Additionally, the W/C ratio has a stronger influence in both sulfate and chloride penetration than the S/C ratio, and chloride ions penetrate faster than sulfates. Advantages and limitations of applying IBA techniques in this investigation are discussed. The comparison between PIXE and other X-ray based analytical techniques, namely X-ray fluorescence (XRF) and energy and wavelength dispersive X-rays (EDX/WDX), as well as other traditional wet chemical methods is reviewed, and industrial applications are discussed.

A Liver-centric Multiscale Modeling Framework for Xenobiotics ...

EPA Pesticide Factsheets

We describe a multi-scale framework for modeling acetaminophen-induced liver toxicity. Acetaminophen is a widely used analgesic. Overdose of acetaminophen can result in liver injury via its biotransformation into toxic product, which further induce massive necrosis. Our study focuses on developing a multi-scale computational model to characterize both phase I and phase II metabolism of acetaminophen, by bridging Physiologically Based Pharmacokinetic (PBPK) modeling at the whole body level, cell movement and blood flow at the tissue level and cell signaling and drug metabolism at the sub-cellular level. To validate the model, we estimated our model parameters by fi?tting serum concentrations of acetaminophen and its glucuronide and sulfate metabolites to experiments, and carried out sensitivity analysis on 35 parameters selected from three modules. Our study focuses on developing a multi-scale computational model to characterize both phase I and phase II metabolism of acetaminophen, by bridging Physiologically Based Pharmacokinetic (PBPK) modeling at the whole body level, cell movement and blood flow at the tissue level and cell signaling and drug metabolism at the sub-cellular level. This multiscale model bridges the CompuCell3D tool used by the Virtual Tissue project with the httk tool developed by the Rapid Exposure and Dosimetry project.

Solidification of Dredged Sludge by Hydraulic Ash-Slag Cementitious Materials

NASA Astrophysics Data System (ADS)

Zhu, Shu-Jing; Qin, Ying; Hwang, Jiann-Yang

Solidification treatment is used to treat hazardous wastes for disposal and to remediate the contaminated land. It is an increasingly popular technology for redevelopment of brown fields since treated wastes can often be left on-site, which can improve the site's soil for subsequent construction. In order to find home for the dredged sludge from the Pearl River Estuary Channel in China, the potential uses of treated dredged sludge by solidification treatment as valuable structural fill was investigated. Structure fills were prepared under various formula and curing conditions. Modulus of elasticity was detemined at 7 days, 14 days and 28 days with different types of load application. Atterberg limit, compactibility and CBR values are reported. The relationship between the microstructure and engineering properties of treated sludge are examined. The results clearly show the technical benefits by stabilizing soft soils with Hydraulic ash-slag cementitious materials. XRD and DTA-TG tests were carried out on certain samples to characterize the hydraulic compounds formed.

Development of low-pH cementitious materials for HLRW repositories

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

Garcia Calvo, J.L., E-mail: jolgac@ietcc.csic.e; Hidalgo, A.; Alonso, C.

One of the most accepted engineering construction concepts of underground repositories for high radioactive waste considers the use of low-pH cementitious materials. This paper deals with the design of those based on Ordinary Portland Cements with high contents of silica fume and/or fly ashes that modify most of the concrete 'standard' properties, the pore fluid composition and the microstructure of the hydrated products. Their resistance to long-term groundwater aggression is also evaluated. The results show that the use of OPC cement binders with high silica content produces low-pH pore waters and the microstructure of these cement pastes is different frommore » the conventional OPC ones, generating C-S-H gels with lower CaO/SiO{sub 2} ratios that possibly bind alkali ions. Leaching tests show a good resistance of low-pH concretes against groundwater aggression although an altered front can be observed.« less

An infrared small target detection method based on multiscale local homogeneity measure

NASA Astrophysics Data System (ADS)

Nie, Jinyan; Qu, Shaocheng; Wei, Yantao; Zhang, Liming; Deng, Lizhen

2018-05-01

Infrared (IR) small target detection plays an important role in the field of image detection area owing to its intrinsic characteristics. This paper presents a multiscale local homogeneity measure (MLHM) for infrared small target detection, which can enhance the performance of IR small target detection system. Firstly, intra-patch homogeneity of the target itself and the inter-patch heterogeneity between target and the local background regions are integrated to enhance the significant of small target. Secondly, a multiscale measure based on local regions is proposed to obtain the most appropriate response. Finally, an adaptive threshold method is applied to small target segmentation. Experimental results on three different scenarios indicate that the MLHM has good performance under the interference of strong noise.

A multi-scale cardiovascular system model can account for the load-dependence of the end-systolic pressure-volume relationship

PubMed Central

2013-01-01

Background The end-systolic pressure-volume relationship is often considered as a load-independent property of the heart and, for this reason, is widely used as an index of ventricular contractility. However, many criticisms have been expressed against this index and the underlying time-varying elastance theory: first, it does not consider the phenomena underlying contraction and second, the end-systolic pressure volume relationship has been experimentally shown to be load-dependent. Methods In place of the time-varying elastance theory, a microscopic model of sarcomere contraction is used to infer the pressure generated by the contraction of the left ventricle, considered as a spherical assembling of sarcomere units. The left ventricle model is inserted into a closed-loop model of the cardiovascular system. Finally, parameters of the modified cardiovascular system model are identified to reproduce the hemodynamics of a normal dog. Results Experiments that have proven the limitations of the time-varying elastance theory are reproduced with our model: (1) preload reductions, (2) afterload increases, (3) the same experiments with increased ventricular contractility, (4) isovolumic contractions and (5) flow-clamps. All experiments simulated with the model generate different end-systolic pressure-volume relationships, showing that this relationship is actually load-dependent. Furthermore, we show that the results of our simulations are in good agreement with experiments. Conclusions We implemented a multi-scale model of the cardiovascular system, in which ventricular contraction is described by a detailed sarcomere model. Using this model, we successfully reproduced a number of experiments that have shown the failing points of the time-varying elastance theory. In particular, the developed multi-scale model of the cardiovascular system can capture the load-dependence of the end-systolic pressure-volume relationship. PMID:23363818

A multiscale modeling approach to inflammation: A case study in human endotoxemia

NASA Astrophysics Data System (ADS)

Scheff, Jeremy D.; Mavroudis, Panteleimon D.; Foteinou, Panagiota T.; An, Gary; Calvano, Steve E.; Doyle, John; Dick, Thomas E.; Lowry, Stephen F.; Vodovotz, Yoram; Androulakis, Ioannis P.

2013-07-01

Inflammation is a critical component in the body's response to injury. A dysregulated inflammatory response, in which either the injury is not repaired or the inflammatory response does not appropriately self-regulate and end, is associated with a wide range of inflammatory diseases such as sepsis. Clinical management of sepsis is a significant problem, but progress in this area has been slow. This may be due to the inherent nonlinearities and complexities in the interacting multiscale pathways that are activated in response to systemic inflammation, motivating the application of systems biology techniques to better understand the inflammatory response. Here, we review our past work on a multiscale modeling approach applied to human endotoxemia, a model of systemic inflammation, consisting of a system of compartmentalized differential equations operating at different time scales and through a discrete model linking inflammatory mediators with changing patterns in the beating of the heart, which has been correlated with outcome and severity of inflammatory disease despite unclear mechanistic underpinnings. Working towards unraveling the relationship between inflammation and heart rate variability (HRV) may enable greater understanding of clinical observations as well as novel therapeutic targets.

Overview and Evaluation of the Community Multiscale Air Quality (CMAQ) Modeling System Version 5.2

EPA Science Inventory

A new version of the Community Multiscale Air Quality (CMAQ) model, version 5.2 (CMAQv5.2), is currently being developed, with a planned release date in 2017. The new model includes numerous updates from the previous version of the model (CMAQv5.1). Specific updates include a new...

Infrared small target detection based on multiscale center-surround contrast measure

NASA Astrophysics Data System (ADS)

Fu, Hao; Long, Yunli; Zhu, Ran; An, Wei

2018-04-01

Infrared(IR) small target detection plays a critical role in the Infrared Search And Track (IRST) system. Although it has been studied for years, there are some difficulties remained to the clutter environment. According to the principle of human discrimination of small targets from a natural scene that there is a signature of discontinuity between the object and its neighboring regions, we develop an efficient method for infrared small target detection called multiscale centersurround contrast measure (MCSCM). First, to determine the maximum neighboring window size, an entropy-based window selection technique is used. Then, we construct a novel multiscale center-surround contrast measure to calculate the saliency map. Compared with the original image, the MCSCM map has less background clutters and noise residual. Subsequently, a simple threshold is used to segment the target. Experimental results show our method achieves better performance.

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

2016-01-01

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling.

PubMed

Zhang, Xueqing; Bieberle-Hütter, Anja

2016-06-08

This review summarizes recent developments, challenges, and strategies in the field of modeling and simulations of photoelectrochemical (PEC) water oxidation. We focus on water splitting by metal-oxide semiconductors and discuss topics such as theoretical calculations of light absorption, band gap/band edge, charge transport, and electrochemical reactions at the electrode-electrolyte interface. In particular, we review the mechanisms of the oxygen evolution reaction, strategies to lower overpotential, and computational methods applied to PEC systems with particular focus on multiscale modeling. The current challenges in modeling PEC interfaces and their processes are summarized. At the end, we propose a new multiscale modeling approach to simulate the PEC interface under conditions most similar to those of experiments. This approach will contribute to identifying the limitations at PEC interfaces. Its generic nature allows its application to a number of electrochemical systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Comprehensive Specimen-Specific Multiscale Data Set for Anatomical and Mechanical Characterization of the Tibiofemoral Joint

PubMed Central

Chokhandre, Snehal; Colbrunn, Robb; Bennetts, Craig; Erdemir, Ahmet

2015-01-01

Understanding of tibiofemoral joint mechanics at multiple spatial scales is essential for developing effective preventive measures and treatments for both pathology and injury management. Currently, there is a distinct lack of specimen-specific biomechanical data at multiple spatial scales, e.g., joint, tissue, and cell scales. Comprehensive multiscale data may improve the understanding of the relationship between biomechanical and anatomical markers across various scales. Furthermore, specimen-specific multiscale data for the tibiofemoral joint may assist development and validation of specimen-specific computational models that may be useful for more thorough analyses of the biomechanical behavior of the joint. This study describes an aggregation of procedures for acquisition of multiscale anatomical and biomechanical data for the tibiofemoral joint. Magnetic resonance imaging was used to acquire anatomical morphology at the joint scale. A robotic testing system was used to quantify joint level biomechanical response under various loading scenarios. Tissue level material properties were obtained from the same specimen for the femoral and tibial articular cartilage, medial and lateral menisci, anterior and posterior cruciate ligaments, and medial and lateral collateral ligaments. Histology data were also obtained for all tissue types to measure specimen-specific cell scale information, e.g., cellular distribution. This study is the first of its kind to establish a comprehensive multiscale data set for a musculoskeletal joint and the presented data collection approach can be used as a general template to guide acquisition of specimen-specific comprehensive multiscale data for musculoskeletal joints. PMID:26381404

Multiscale high-order/low-order (HOLO) algorithms and applications

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

Chacon, Luis; Chen, Guangye; Knoll, Dana Alan

Here, we review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. Themore » HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.« less

Multiscale high-order/low-order (HOLO) algorithms and applications

DOE PAGES

Chacon, Luis; Chen, Guangye; Knoll, Dana Alan; ...

2016-11-11

Here, we review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. Themore » HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.« less

Multiscale high-order/low-order (HOLO) algorithms and applications

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.; Knoll, D. A.; Newman, C.; Park, H.; Taitano, W.; Willert, J. A.; Womeldorff, G.

2017-02-01

We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

A Micromechanics-Based Method for Multiscale Fatigue Prediction

NASA Astrophysics Data System (ADS)

Moore, John Allan

An estimated 80% of all structural failures are due to mechanical fatigue, often resulting in catastrophic, dangerous and costly failure events. However, an accurate model to predict fatigue remains an elusive goal. One of the major challenges is that fatigue is intrinsically a multiscale process, which is dependent on a structure's geometric design as well as its material's microscale morphology. The following work begins with a microscale study of fatigue nucleation around non- metallic inclusions. Based on this analysis, a novel multiscale method for fatigue predictions is developed. This method simulates macroscale geometries explicitly while concurrently calculating the simplified response of microscale inclusions. Thus, providing adequate detail on multiple scales for accurate fatigue life predictions. The methods herein provide insight into the multiscale nature of fatigue, while also developing a tool to aid in geometric design and material optimization for fatigue critical devices such as biomedical stents and artificial heart valves.

Multiscale time-dependent density functional theory: Demonstration for plasmons.

PubMed

Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

2017-08-07

Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

Adaptive Multi-scale PHM for Robotic Assembly Processes

PubMed Central

Choo, Benjamin Y.; Beling, Peter A.; LaViers, Amy E.; Marvel, Jeremy A.; Weiss, Brian A.

2017-01-01

Adaptive multiscale prognostics and health management (AM-PHM) is a methodology designed to support PHM in smart manufacturing systems. As a rule, PHM information is not used in high-level decision-making in manufacturing systems. AM-PHM leverages and integrates component-level PHM information with hierarchical relationships across the component, machine, work cell, and production line levels in a manufacturing system. The AM-PHM methodology enables the creation of actionable prognostic and diagnostic intelligence up and down the manufacturing process hierarchy. Decisions are made with the knowledge of the current and projected health state of the system at decision points along the nodes of the hierarchical structure. A description of the AM-PHM methodology with a simulated canonical robotic assembly process is presented. PMID:28664161

Development of a sorption data base for the cementitious near-field of a repository for radioactive waste

NASA Astrophysics Data System (ADS)

Wieland, E.; Bradbury, M. H.; van Loon, L.

2003-01-01

The migration of radionuclides within a repository for radioactive waste is retarded due to interaction with the engineered barrier system. Sorption processes play a decisive role in the retardation of radionuclides in the repository environment, and thus, the development of sorption data bases (SDBs) is an important task and an integral part of performance assessment. The methodology applied in the development of a SDB for the cementitious near-field of a repository for long-lived intermediate-level waste is presented in this study. The development of such a SDB requires knowledge of the chemical conditions of the near-field and information on the uptake process of radionuclides by hardened cement paste. The principles upon which the selection of the “best available” laboratory sorption values is based are outlined. The influence of cellulose degradation products, cement additives and cement-derived colloids on the sorption behaviour of radionuclides is addressed in conjunction with the development of the SDB.

Transition between inverse and direct energy cascades in multiscale optical turbulence

DOE PAGES

Malkin, V. M.; Fisch, N. J.

2018-03-06

Transition between inverse and direct energy cascades in multiscale optical turbulence. Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a singlemore » scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.« less

Acoustics of multiscale sorptive porous materials

NASA Astrophysics Data System (ADS)

Venegas, R.; Boutin, C.; Umnova, O.

2017-08-01

This paper investigates sound propagation in multiscale rigid-frame porous materials that support mass transfer processes, such as sorption and different types of diffusion, in addition to the usual visco-thermo-inertial interactions. The two-scale asymptotic method of homogenization for periodic media is successively used to derive the macroscopic equations describing sound propagation through the material. This allowed us to conclude that the macroscopic mass balance is significantly modified by sorption, inter-scale (micro- to/from nanopore scales) mass diffusion, and inter-scale (pore to/from micro- and nanopore scales) pressure diffusion. This modification is accounted for by the dynamic compressibility of the effective saturating fluid that presents atypical properties that lead to slower speed of sound and higher sound attenuation, particularly at low frequencies. In contrast, it is shown that the physical processes occurring at the micro-nano-scale do not affect the macroscopic fluid flow through the material. The developed theory is exemplified by introducing an analytical model for multiscale sorptive granular materials, which is experimentally validated by comparing its predictions with acoustic measurements on granular activated carbons. Furthermore, we provide empirical evidence supporting an alternative method for measuring sorption and mass diffusion properties of multiscale sorptive materials using sound waves.

Multi-scale graph-cut algorithm for efficient water-fat separation.

PubMed

Berglund, Johan; Skorpil, Mikael

2017-09-01

To improve the accuracy and robustness to noise in water-fat separation by unifying the multiscale and graph cut based approaches to B 0 -correction. A previously proposed water-fat separation algorithm that corrects for B 0 field inhomogeneity in 3D by a single quadratic pseudo-Boolean optimization (QPBO) graph cut was incorporated into a multi-scale framework, where field map solutions are propagated from coarse to fine scales for voxels that are not resolved by the graph cut. The accuracy of the single-scale and multi-scale QPBO algorithms was evaluated against benchmark reference datasets. The robustness to noise was evaluated by adding noise to the input data prior to water-fat separation. Both algorithms achieved the highest accuracy when compared with seven previously published methods, while computation times were acceptable for implementation in clinical routine. The multi-scale algorithm was more robust to noise than the single-scale algorithm, while causing only a small increase (+10%) of the reconstruction time. The proposed 3D multi-scale QPBO algorithm offers accurate water-fat separation, robustness to noise, and fast reconstruction. The software implementation is freely available to the research community. Magn Reson Med 78:941-949, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

MULTISCALE TENSOR ANISOTROPIC FILTERING OF FLUORESCENCE MICROSCOPY FOR DENOISING MICROVASCULATURE.

PubMed

Prasath, V B S; Pelapur, R; Glinskii, O V; Glinsky, V V; Huxley, V H; Palaniappan, K

2015-04-01

Fluorescence microscopy images are contaminated by noise and improving image quality without blurring vascular structures by filtering is an important step in automatic image analysis. The application of interest here is to automatically extract the structural components of the microvascular system with accuracy from images acquired by fluorescence microscopy. A robust denoising process is necessary in order to extract accurate vascular morphology information. For this purpose, we propose a multiscale tensor with anisotropic diffusion model which progressively and adaptively updates the amount of smoothing while preserving vessel boundaries accurately. Based on a coherency enhancing flow with planar confidence measure and fused 3D structure information, our method integrates multiple scales for microvasculature preservation and noise removal membrane structures. Experimental results on simulated synthetic images and epifluorescence images show the advantage of our improvement over other related diffusion filters. We further show that the proposed multiscale integration approach improves denoising accuracy of different tensor diffusion methods to obtain better microvasculature segmentation.

A Multimode Optical Imaging System for Preclinical Applications In Vivo: Technology Development, Multiscale Imaging, and Chemotherapy Assessment

PubMed Central

Hwang, Jae Youn; Wachsmann-Hogiu, Sebastian; Ramanujan, V. Krishnan; Ljubimova, Julia; Gross, Zeev; Gray, Harry B.; Medina-Kauwe, Lali K.; Farkas, Daniel L.

2012-01-01

Purpose Several established optical imaging approaches have been applied, usually in isolation, to preclinical studies; however, truly useful in vivo imaging may require a simultaneous combination of imaging modalities to examine dynamic characteristics of cells and tissues. We developed a new multimode optical imaging system designed to be application-versatile, yielding high sensitivity, and specificity molecular imaging. Procedures We integrated several optical imaging technologies, including fluorescence intensity, spectral, lifetime, intravital confocal, two-photon excitation, and bioluminescence, into a single system that enables functional multiscale imaging in animal models. Results The approach offers a comprehensive imaging platform for kinetic, quantitative, and environmental analysis of highly relevant information, with micro-to-macroscopic resolution. Applied to small animals in vivo, this provides superior monitoring of processes of interest, represented here by chemo-/nanoconstruct therapy assessment. Conclusions This new system is versatile and can be optimized for various applications, of which cancer detection and targeted treatment are emphasized here. PMID:21874388

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. Copyright © 2014 John Wiley & Sons, Ltd.

Multiscale multifractal time irreversibility analysis of stock markets

NASA Astrophysics Data System (ADS)

Jiang, Chenguang; Shang, Pengjian; Shi, Wenbin

2016-11-01

Time irreversibility is one of the most important properties of nonstationary time series. Complex time series often demonstrate even multiscale time irreversibility, such that not only the original but also coarse-grained time series are asymmetric over a wide range of scales. We study the multiscale time irreversibility of time series. In this paper, we develop a method called multiscale multifractal time irreversibility analysis (MMRA), which allows us to extend the description of time irreversibility to include the dependence on the segment size and statistical moments. We test the effectiveness of MMRA in detecting multifractality and time irreversibility of time series generated from delayed Henon map and binomial multifractal model. Then we employ our method to the time irreversibility analysis of stock markets in different regions. We find that the emerging market has higher multifractality degree and time irreversibility compared with developed markets. In this sense, the MMRA method may provide new angles in assessing the evolution stage of stock markets.

25th anniversary article: scalable multiscale patterned structures inspired by nature: the role of hierarchy.

PubMed

Bae, Won-Gyu; Kim, Hong Nam; Kim, Doogon; Park, Suk-Hee; Jeong, Hoon Eui; Suh, Kahp-Yang

2014-02-01

Multiscale, hierarchically patterned surfaces, such as lotus leaves, butterfly wings, adhesion pads of gecko lizards are abundantly found in nature, where microstructures are usually used to strengthen the mechanical stability while nanostructures offer the main functionality, i.e., wettability, structural color, or dry adhesion. To emulate such hierarchical structures in nature, multiscale, multilevel patterning has been extensively utilized for the last few decades towards various applications ranging from wetting control, structural colors, to tissue scaffolds. In this review, we highlight recent advances in scalable multiscale patterning to bring about improved functions that can even surpass those found in nature, with particular focus on the analogy between natural and synthetic architectures in terms of the role of different length scales. This review is organized into four sections. First, the role and importance of multiscale, hierarchical structures is described with four representative examples. Second, recent achievements in multiscale patterning are introduced with their strengths and weaknesses. Third, four application areas of wetting control, dry adhesives, selectively filtrating membranes, and multiscale tissue scaffolds are overviewed by stressing out how and why multiscale structures need to be incorporated to carry out their performances. Finally, we present future directions and challenges for scalable, multiscale patterned surfaces. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiscale complex network analysis: An approach to study spatiotemporal rainfall pattern in south Germany

NASA Astrophysics Data System (ADS)

Agarwal, Ankit; Marwan, Norbert; Rathinasamy, Maheswaran; Oeztuerk, Ugur; Merz, Bruno; Kurths, Jürgen

2017-04-01

Understanding of the climate sytems has been of tremendous importance to different branches such as agriculture, flood, drought and water resources management etc. In this regard, complex networks analysis and time series analysis attracted considerable attention, owing to their potential role in understanding the climate system through characteristic properties. One of the basic requirements in studying climate network dynamics is to identify connections in space or time or space-time, depending upon the purpose. Although a wide variety of approaches have been developed and applied to identify and analyse spatio-temporal relationships by climate networks, there is still further need for improvements in particular when considering precipitation time series or interactions on different scales. In this regard, recent developments in the area of network theory, especially complex networks, offer new avenues, both for their generality about systems and for their holistic perspective about spatio-temporal relationships. The present study has made an attempt to apply the ideas developed in the field of complex networks to examine connections in regional climate networks with particular focus on multiscale spatiotemporal connections. This paper proposes a novel multiscale understanding of regional climate networks using wavelets. The proposed approach is applied to daily precipitation records observed at 543 selected stations from south Germany for a period of 110 years (1901-2010). Further, multiscale community mining is performed on the same study region to shed more light on the underlying processes at different time scales. Various network measure and tools so far employed provide micro-level (individual station) and macro-level (community structure) information of the network. It is interesting to investigate how the result of this study can be useful for future climate predictions and for evaluating climate models on their implementation regarding heavy

Multiscale Integration of -Omic, Imaging, and Clinical Data in Biomedical Informatics

PubMed Central

Phan, John H.; Quo, Chang F.; Cheng, Chihwen; Wang, May Dongmei

2016-01-01

This paper reviews challenges and opportunities in multiscale data integration for biomedical informatics. Biomedical data can come from different biological origins, data acquisition technologies, and clinical applications. Integrating such data across multiple scales (e.g., molecular, cellular/tissue, and patient) can lead to more informed decisions for personalized, predictive, and preventive medicine. However, data heterogeneity, community standards in data acquisition, and computational complexity are big challenges for such decision making. This review describes genomic and proteomic (i.e., molecular), histopathological imaging (i.e., cellular/tissue), and clinical (i.e., patient) data; it includes case studies for single-scale (e.g., combining genomic or histopathological image data), multiscale (e.g., combining histopathological image and clinical data), and multiscale and multiplatform (e.g., the Human Protein Atlas and The Cancer Genome Atlas) data integration. Numerous opportunities exist in biomedical informatics research focusing on integration of multiscale and multiplatform data. PMID:23231990

Multiscale integration of -omic, imaging, and clinical data in biomedical informatics.

PubMed

Phan, John H; Quo, Chang F; Cheng, Chihwen; Wang, May Dongmei

2012-01-01

This paper reviews challenges and opportunities in multiscale data integration for biomedical informatics. Biomedical data can come from different biological origins, data acquisition technologies, and clinical applications. Integrating such data across multiple scales (e.g., molecular, cellular/tissue, and patient) can lead to more informed decisions for personalized, predictive, and preventive medicine. However, data heterogeneity, community standards in data acquisition, and computational complexity are big challenges for such decision making. This review describes genomic and proteomic (i.e., molecular), histopathological imaging (i.e., cellular/tissue), and clinical (i.e., patient) data; it includes case studies for single-scale (e.g., combining genomic or histopathological image data), multiscale (e.g., combining histopathological image and clinical data), and multiscale and multiplatform (e.g., the Human Protein Atlas and The Cancer Genome Atlas) data integration. Numerous opportunities exist in biomedical informatics research focusing on integration of multiscale and multiplatform data.

Tone mapping infrared images using conditional filtering-based multi-scale retinex

NASA Astrophysics Data System (ADS)

Luo, Haibo; Xu, Lingyun; Hui, Bin; Chang, Zheng

2015-10-01

Tone mapping can be used to compress the dynamic range of the image data such that it can be fitted within the range of the reproduction media and human vision. The original infrared images that captured with infrared focal plane arrays (IFPA) are high dynamic images, so tone mapping infrared images is an important component in the infrared imaging systems, and it has become an active topic in recent years. In this paper, we present a tone mapping framework using multi-scale retinex. Firstly, a Conditional Gaussian Filter (CGF) was designed to suppress "halo" effect. Secondly, original infrared image is decomposed into a set of images that represent the mean of the image at different spatial resolutions by applying CGF of different scale. And then, a set of images that represent the multi-scale details of original image is produced by dividing the original image pointwise by the decomposed image. Thirdly, the final detail image is reconstructed by weighted sum of the multi-scale detail images together. Finally, histogram scaling and clipping is adopted to remove outliers and scale the detail image, 0.1% of the pixels are clipped at both extremities of the histogram. Experimental results show that the proposed algorithm efficiently increases the local contrast while preventing "halo" effect and provides a good rendition of visual effect.

Naval Research Laboratory Multiscale Targeting Guidance for T-PARC and TCS-08

DTIC Science & Technology

2010-01-01

Naval Research Laboratory Multiscale Targeting Guidance for T- PARC and TCS-08 CAROLYN A. REYNOLDS AND JAMES D. DOYLE Marine Meteorology Division...of The Observing System Research and Predictability Experiment (THORPEX) Pacific Asian Regional Campaign (T- PARC ) and the Office of Naval Research’s...These products were produced with 24-, 36-, and 48-h lead times. The nonhydrostatic adjoint system used during T- PARC /TCS-08 contains an exact adjoint to

Deep multi-scale convolutional neural network for hyperspectral image classification

NASA Astrophysics Data System (ADS)

Zhang, Feng-zhe; Yang, Xia

2018-04-01

In this paper, we proposed a multi-scale convolutional neural network for hyperspectral image classification task. Firstly, compared with conventional convolution, we utilize multi-scale convolutions, which possess larger respective fields, to extract spectral features of hyperspectral image. We design a deep neural network with a multi-scale convolution layer which contains 3 different convolution kernel sizes. Secondly, to avoid overfitting of deep neural network, dropout is utilized, which randomly sleeps neurons, contributing to improve the classification accuracy a bit. In addition, new skills like ReLU in deep learning is utilized in this paper. We conduct experiments on University of Pavia and Salinas datasets, and obtained better classification accuracy compared with other methods.

Macro-Scale Strength and Microstructure of ZrW2O8 Cementitious Composites with Tunable Low Thermal Expansion

PubMed Central

Ouyang, Jianshu; Chen, Bo; Huang, Dahai

2018-01-01

Concretes with engineered thermal expansion coefficients, capable of avoiding failure or irreversible destruction of structures or devices, are important for civil engineering applications, such as dams, bridges, and buildings. In natural materials, thermal expansion usually cannot be easily regulated and an extremely low thermal expansion coefficient (TEC) is still uncommon. Here we propose a novel cementitious composite, doped with ZrW2O8, showing a wide range of tunable thermal expansion coefficients, from 8.65 × 10−6 °C−1 to 2.48 × 10−6 °C−1. Macro-scale experiments are implemented to quantify the evolution of the thermal expansion coefficients, compressive and flexural strength over a wide range of temperature. Scanning Electron Microscope (SEM) imaging was conducted to quantify the specimens’ microstructural characteristics including pores ratio and size. It is shown that the TEC of the proposed composites depends on the proportion of ZrW2O8 and the ambient curing temperature. Macro-scale experimental results and microstructures have a good agreement. The TEC and strength gradually decrease as ZrW2O8 increases from 0% to 20%, subsequently fluctuates until 60%. The findings reported here provide a new routine to design cementitious composites with tunable thermal expansion for a wide range of engineering applications. PMID:29735957

Mechanics of Platelet-Matrix Composites across Scales: Theory, Multiscale Modeling, and 3D Fabrication

NASA Astrophysics Data System (ADS)

Sakhavand, Navid

Many natural and biomimetic composites - such as nacre, silk and clay-polymer - exhibit a remarkable balance of strength, toughness, and/or stiffness, which call for a universal measure to quantify this outstanding feature given the platelet-matrix structure and material characteristics of the constituents. Analogously, there is an urgent need to quantify the mechanics of emerging electronic and photonic systems such as stacked heterostructures, which are composed of strong in-plane bonding networks but weak interplanar bonding matrices. In this regard, development of a universal composition-structure-property map for natural platelet-matrix composites, and stacked heterostructures opens up new doors for designing materials with superior mechanical performance. In this dissertation, a multiscale bottom-up approach is adopted to analyze and predict the mechanical properties of platelet-matrix composites. Design guidelines are provided by developing universally valid (across different length scales) diagrams for science-based engineering of numerous natural and synthetic platelet-matrix composites and stacked heterostructures while significantly broadening the spectrum of strategies for fabricating new composites with specific and optimized mechanical properties. First, molecular dynamics simulations are utilized to unravel the fundamental underlying physics and chemistry of the binding nature at the atomic-level interface of organic-inorganic composites. Polymer-cementitious composites are considered as case studies to understand bonding mechanism at the nanoscale and open up new venues for potential mechanical enhancement at the macro-scale. Next, sophisticated mathematical derivations based on elasticity and plasticity theories are presented to describe pre-crack (intrinsic) mechanical performance of platelet-matrix composites at the microscale. These derivations lead to developing a unified framework to construct series of universal composition

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth.

PubMed

de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-12-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

NASA Astrophysics Data System (ADS)

de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-12-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of

FUNDAMENTAL PROPERTIES OF ULTRA HIGH PERFORMANCE-STRAIN HARDENING CEMENTITIOUS COMPOSITES AND USAGE FOR REPAIR

NASA Astrophysics Data System (ADS)

Kunieda, Minoru; Shimizu, Kosuke; Eguchi, Teruyuki; Ueda, Naoshi; Nakamura, Hikaru

This paper presents the fundamental properties of Ultra High Performance-Strain Hardening Cementitious Composites (UHP-SHCC), which were depeloped for repair applications. In particular, mechanical properties such as tensile response, shrinkage and bond strength were investigated experimentally. Protective performance of the material such as air permeability, water permeability and penetration of chloride ion was also confirmed comparing to that of ordinary concrete. This paper also introduces the usage of the material in repair of concrete st ructures. Laboratory tests concerining the deterioration induced by corrosion were conducted. The UHP-SHCC that coverd the RC beam resisted not only crack opening along the rebar due to corrosion but also crack opening due to loading tests.

Multi-Scale Modeling of the Gamma Radiolysis of Nitrate Solutions.

PubMed

Horne, Gregory P; Donoclift, Thomas A; Sims, Howard E; Orr, Robin M; Pimblott, Simon M

2016-11-17

A multiscale modeling approach has been developed for the extended time scale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages: radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modeling. The first three components model the physical and chemical evolution of an isolated radiation chemical track and provide radiolysis yields, within the extremely low dose isolated track paradigm, as the input parameters for a bulk deterministic chemistry model. This approach to radiation chemical modeling has been tested by comparison with the experimentally observed yield of nitrite from the gamma radiolysis of sodium nitrate solutions. This is a complex radiation chemical system which is strongly dependent on secondary reaction processes. The concentration of nitrite is not just dependent upon the evolution of radiation track chemistry and the scavenging of the hydrated electron and its precursors but also on the subsequent reactions of the products of these scavenging reactions with other water radiolysis products. Without the inclusion of intratrack chemistry, the deterministic component of the multiscale model is unable to correctly predict experimental data, highlighting the importance of intratrack radiation chemistry in the chemical evolution of the irradiated system.

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network

PubMed Central

Qu, Xiaobo; He, Yifan

2018-01-01

Deep convolutional neural networks (CNNs) are successful in single-image super-resolution. Traditional CNNs are limited to exploit multi-scale contextual information for image reconstruction due to the fixed convolutional kernel in their building modules. To restore various scales of image details, we enhance the multi-scale inference capability of CNNs by introducing competition among multi-scale convolutional filters, and build up a shallow network under limited computational resources. The proposed network has the following two advantages: (1) the multi-scale convolutional kernel provides the multi-context for image super-resolution, and (2) the maximum competitive strategy adaptively chooses the optimal scale of information for image reconstruction. Our experimental results on image super-resolution show that the performance of the proposed network outperforms the state-of-the-art methods. PMID:29509666

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network.

PubMed

Du, Xiaofeng; Qu, Xiaobo; He, Yifan; Guo, Di

2018-03-06

Deep convolutional neural networks (CNNs) are successful in single-image super-resolution. Traditional CNNs are limited to exploit multi-scale contextual information for image reconstruction due to the fixed convolutional kernel in their building modules. To restore various scales of image details, we enhance the multi-scale inference capability of CNNs by introducing competition among multi-scale convolutional filters, and build up a shallow network under limited computational resources. The proposed network has the following two advantages: (1) the multi-scale convolutional kernel provides the multi-context for image super-resolution, and (2) the maximum competitive strategy adaptively chooses the optimal scale of information for image reconstruction. Our experimental results on image super-resolution show that the performance of the proposed network outperforms the state-of-the-art methods.

Multi-scale modeling of spin transport in organic semiconductors

NASA Astrophysics Data System (ADS)

Hemmatiyan, Shayan; Souza, Amaury; Kordt, Pascal; McNellis, Erik; Andrienko, Denis; Sinova, Jairo

In this work, we present our theoretical framework to simulate simultaneously spin and charge transport in amorphous organic semiconductors. By combining several techniques e.g. molecular dynamics, density functional theory and kinetic Monte Carlo, we are be able to study spin transport in the presence of anisotropy, thermal effects, magnetic and electric field effects in a realistic morphologies of amorphous organic systems. We apply our multi-scale approach to investigate the spin transport in amorphous Alq3 (Tris(8-hydroxyquinolinato)aluminum) and address the underlying spin relaxation mechanism in this system as a function of temperature, bias voltage, magnetic field and sample thickness.

Blood Flow: Multi-scale Modeling and Visualization (July 2011)

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

None

2011-01-01

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 early results of two studies used in the development of a multi-scale visualization methodology. The fisrt illustrates a flow of healthy (red) and diseased (blue) blood cells with a Dissipative Particle Dynamics (DPD) method. Each bloodmore » cell is represented by a mesh, small spheres show a sub-set of particles representing the blood plasma, while instantaneous streamlines and slices represent the ensemble average velocity. In the second 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 an aneruysm. Simulation was performed on Kraken at the National Institute for Computational Sciences. Visualization was produced using resources of the Argonne Leadership Computing Facility at Argonne National Laboratory.« less

Towards the virtual artery: a multiscale model for vascular physiology at the physics-chemistry-biology interface.

PubMed

Hoekstra, Alfons G; Alowayyed, Saad; Lorenz, Eric; Melnikova, Natalia; Mountrakis, Lampros; van Rooij, Britt; Svitenkov, Andrew; Závodszky, Gábor; Zun, Pavel

2016-11-13

This discussion paper introduces the concept of the Virtual Artery as a multiscale model for arterial physiology and pathologies at the physics-chemistry-biology (PCB) interface. The cellular level is identified as the mesoscopic level, and we argue that by coupling cell-based models with other relevant models on the macro- and microscale, a versatile model of arterial health and disease can be composed. We review the necessary ingredients, both models of arteries at many different scales, as well as generic methods to compose multiscale models. Next, we discuss how this can be combined into the virtual artery. Finally, we argue that the concept of models at the PCB interface could or perhaps should become a powerful paradigm, not only as in our case for studying physiology, but also for many other systems that have such PCB interfaces.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Authors.

Interpretation of leaching data for cementitious waste forms using analytical solutions based on mass transport theory and empiricism

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

Spence, R.D.; Godbee, H.W.; Tallent, O.K.

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.

Coherent multiscale image processing using dual-tree quaternion wavelets.

PubMed

Chan, Wai Lam; Choi, Hyeokho; Baraniuk, Richard G

2008-07-01

The dual-tree quaternion wavelet transform (QWT) is a new multiscale analysis tool for geometric image features. The QWT is a near shift-invariant tight frame representation whose coefficients sport a magnitude and three phases: two phases encode local image shifts while the third contains image texture information. The QWT is based on an alternative theory for the 2-D Hilbert transform and can be computed using a dual-tree filter bank with linear computational complexity. To demonstrate the properties of the QWT's coherent magnitude/phase representation, we develop an efficient and accurate procedure for estimating the local geometrical structure of an image. We also develop a new multiscale algorithm for estimating the disparity between a pair of images that is promising for image registration and flow estimation applications. The algorithm features multiscale phase unwrapping, linear complexity, and sub-pixel estimation accuracy.

Multiscale recurrence quantification analysis of order recurrence plots

NASA Astrophysics Data System (ADS)

Xu, Mengjia; Shang, Pengjian; Lin, Aijing

2017-03-01

In this paper, we propose a new method of multiscale recurrence quantification analysis (MSRQA) to analyze the structure of order recurrence plots. The MSRQA is based on order patterns over a range of time scales. Compared with conventional recurrence quantification analysis (RQA), the MSRQA can show richer and more recognizable information on the local characteristics of diverse systems which successfully describes their recurrence properties. Both synthetic series and stock market indexes exhibit their properties of recurrence at large time scales that quite differ from those at a single time scale. Some systems present more accurate recurrence patterns under large time scales. It demonstrates that the new approach is effective for distinguishing three similar stock market systems and showing some inherent differences.

Design of rapid hardening engineered cementitious composites for sustainable construction

NASA Astrophysics Data System (ADS)

Marushchak, Uliana; Sanytsky, Myroslav; Sydor, Nazar

2017-12-01

This paper deals with design of environmentally friendly Rapid Hardening Engineered Cementitious Composite (RHECC) nanomodified with ultrafine mineral additives, polycarboxylate ether based superplasticizer, calcium hydrosilicate nanoparticles and dispersal reinforced by fibers. The incremental coefficient of surface activity was proposed in order to estimation of ultrafine supplementary materials (fly ash, methakaolin, microsilica) efficiency. A characterization of RHECC's compressive and flexural properties at different ages is reported in this paper. Early compressive strength of ECC is 45-50 MPa, standard strength - 84-95 MPa and parameter Rc2/Rc28 - 65-70%. The microstructure of the cement matrix and RHECC was investigated. The use of ultrafine mineral supplementary materials provides reinforcement of structure on micro- and nanoscale level (cementing matrix) due to formation of sub-microreinforcing hydrate phase as AFt- and C-S-H phases in unclinker part of cement matrix, resulting in the phenomena of "self-reinforcement" on the microstructure level. Designed RHECC may be regarded as lower brittle since the crack resistance coefficient is higher comparison to conventional fine grain concrete.

Calcium leaching behavior of cementitious materials in hydrochloric acid solution.

PubMed

Yang, Huashan; Che, Yujun; Leng, Faguang

2018-06-11

The calcium leaching behavior of cement paste and silica fume modified calcium hydroxide paste, exposed to hydrochloric acid solution, is reported in this paper. The kinetic of degradation was assessed by the changes of pH of hydrochloric acid solution with time. The changes of compressive strength of specimens in hydrochloric acid with time were tested. Hydration products of leached specimens were also analyzed by X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric (TG), and atomic force microscope (AFM). Tests results show that there is a dynamic equilibrium in the supply and consumption of calcium hydroxide in hydrochloric acid solution, which govern the stability of hydration products such as calcium silicate hydrate (C-S-H). The decrease of compressive strength indicates that C-S-H are decomposed due to the lower concentration of calcium hydroxide in the pore solution than the equilibrium concentration of the hydration products. Furthermore, the hydration of unhydrated clinker delayed the decomposition of C-S-H in hydrochloric acid solution due to the increase of calcium hydroxide in pore solution of cementitious materials.

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

NASA Astrophysics Data System (ADS)

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-06-01

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k y ρ s  <  1) and short wavelength electron-scale (k y ρ s  >  1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. Significant nonlinear cross-scale couplings are observed in the multiscale simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E  ×  B shearing rate γ E×B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. While the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Although computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of

Refined composite multiscale weighted-permutation entropy of financial time series

NASA Astrophysics Data System (ADS)

Zhang, Yongping; Shang, Pengjian

2018-04-01

For quantifying the complexity of nonlinear systems, multiscale weighted-permutation entropy (MWPE) has recently been proposed. MWPE has incorporated amplitude information and been applied to account for the multiple inherent dynamics of time series. However, MWPE may be unreliable, because its estimated values show large fluctuation for slight variation of the data locations, and a significant distinction only for the different length of time series. Therefore, we propose the refined composite multiscale weighted-permutation entropy (RCMWPE). By comparing the RCMWPE results with other methods' results on both synthetic data and financial time series, RCMWPE method shows not only the advantages inherited from MWPE but also lower sensitivity to the data locations, more stable and much less dependent on the length of time series. Moreover, we present and discuss the results of RCMWPE method on the daily price return series from Asian and European stock markets. There are significant differences between Asian markets and European markets, and the entropy values of Hang Seng Index (HSI) are close to but higher than those of European markets. The reliability of the proposed RCMWPE method has been supported by simulations on generated and real data. It could be applied to a variety of fields to quantify the complexity of the systems over multiple scales more accurately.

Stochastic simulation of multiscale complex systems with PISKaS: A rule-based approach.

PubMed

Perez-Acle, Tomas; Fuenzalida, Ignacio; Martin, Alberto J M; Santibañez, Rodrigo; Avaria, Rodrigo; Bernardin, Alejandro; Bustos, Alvaro M; Garrido, Daniel; Dushoff, Jonathan; Liu, James H

2018-03-29

Computational simulation is a widely employed methodology to study the dynamic behavior of complex systems. Although common approaches are based either on ordinary differential equations or stochastic differential equations, these techniques make several assumptions which, when it comes to biological processes, could often lead to unrealistic models. Among others, model approaches based on differential equations entangle kinetics and causality, failing when complexity increases, separating knowledge from models, and assuming that the average behavior of the population encompasses any individual deviation. To overcome these limitations, simulations based on the Stochastic Simulation Algorithm (SSA) appear as a suitable approach to model complex biological systems. In this work, we review three different models executed in PISKaS: a rule-based framework to produce multiscale stochastic simulations of complex systems. These models span multiple time and spatial scales ranging from gene regulation up to Game Theory. In the first example, we describe a model of the core regulatory network of gene expression in Escherichia coli highlighting the continuous model improvement capacities of PISKaS. The second example describes a hypothetical outbreak of the Ebola virus occurring in a compartmentalized environment resembling cities and highways. Finally, in the last example, we illustrate a stochastic model for the prisoner's dilemma; a common approach from social sciences describing complex interactions involving trust within human populations. As whole, these models demonstrate the capabilities of PISKaS providing fertile scenarios where to explore the dynamics of complex systems. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

How Next-Generation Sequencing and Multiscale Data Analysis Will Transform Infectious Disease Management

PubMed Central

Pak, Theodore R.; Kasarskis, Andrew

2015-01-01

Recent reviews have examined the extent to which routine next-generation sequencing (NGS) on clinical specimens will improve the capabilities of clinical microbiology laboratories in the short term, but do not explore integrating NGS with clinical data from electronic medical records (EMRs), immune profiling data, and other rich datasets to create multiscale predictive models. This review introduces a range of “omics” and patient data sources relevant to managing infections and proposes 3 potentially disruptive applications for these data in the clinical workflow. The combined threats of healthcare-associated infections and multidrug-resistant organisms may be addressed by multiscale analysis of NGS and EMR data that is ideally updated and refined over time within each healthcare organization. Such data and analysis should form the cornerstone of future learning health systems for infectious disease. PMID:26251049

Optical system design with wide field of view and high resolution based on monocentric multi-scale construction

NASA Astrophysics Data System (ADS)

Wang, Fang; Wang, Hu; Xiao, Nan; Shen, Yang; Xue, Yaoke

2018-03-01

With the development of related technology gradually mature in the field of optoelectronic information, it is a great demand to design an optical system with high resolution and wide field of view(FOV). However, as it is illustrated in conventional Applied Optics, there is a contradiction between these two characteristics. Namely, the FOV and imaging resolution are limited by each other. Here, based on the study of typical wide-FOV optical system design, we propose the monocentric multi-scale system design method to solve this problem. Consisting of a concentric spherical lens and a series of micro-lens array, this system has effective improvement on its imaging quality. As an example, we designed a typical imaging system, which has a focal length of 35mm and a instantaneous field angle of 14.7", as well as the FOV set to be 120°. By analyzing the imaging quality, we demonstrate that in different FOV, all the values of MTF at 200lp/mm are higher than 0.4 when the sampling frequency of the Nyquist is 200lp/mm, which shows a good accordance with our design.

A multi-scale approach to designing therapeutics for tuberculosis

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

Linderman, Jennifer J.; Cilfone, Nicholas A.; Pienaar, Elsje

Approximately one third of the world’s population is infected with Mycobacterium tuberculosis. Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis. Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oralmore » and inhaled antibiotics, and (c) the effect of vaccination.« less

Toward a multiscale modeling framework for understanding serotonergic function

PubMed Central

Wong-Lin, KongFatt; Wang, Da-Hui; Moustafa, Ahmed A; Cohen, Jeremiah Y; Nakamura, Kae

2017-01-01

Despite its importance in regulating emotion and mental wellbeing, the complex structure and function of the serotonergic system present formidable challenges toward understanding its mechanisms. In this paper, we review studies investigating the interactions between serotonergic and related brain systems and their behavior at multiple scales, with a focus on biologically-based computational modeling. We first discuss serotonergic intracellular signaling and neuronal excitability, followed by neuronal circuit and systems levels. At each level of organization, we will discuss the experimental work accompanied by related computational modeling work. We then suggest that a multiscale modeling approach that integrates the various levels of neurobiological organization could potentially transform the way we understand the complex functions associated with serotonin. PMID:28417684

A multi-scale approach to designing therapeutics for tuberculosis

DOE PAGES

Linderman, Jennifer J.; Cilfone, Nicholas A.; Pienaar, Elsje; ...

2015-04-20

Approximately one third of the world’s population is infected with Mycobacterium tuberculosis. Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis. Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oralmore » and inhaled antibiotics, and (c) the effect of vaccination.« less

Multi-scale symbolic transfer entropy analysis of EEG

NASA Astrophysics Data System (ADS)

Yao, Wenpo; Wang, Jun

2017-10-01

From both global and local perspectives, we symbolize two kinds of EEG and analyze their dynamic and asymmetrical information using multi-scale transfer entropy. Multi-scale process with scale factor from 1 to 199 and step size of 2 is applied to EEG of healthy people and epileptic patients, and then the permutation with embedding dimension of 3 and global approach are used to symbolize the sequences. The forward and reverse symbol sequences are taken as the inputs of transfer entropy. Scale factor intervals of permutation and global way are (37, 57) and (65, 85) where the two kinds of EEG have satisfied entropy distinctions. When scale factor is 67, transfer entropy of the healthy and epileptic subjects of permutation, 0.1137 and 0.1028, have biggest difference. And the corresponding values of the global symbolization is 0.0641 and 0.0601 which lies in the scale factor of 165. Research results show that permutation which takes contribution of local information has better distinction and is more effectively applied to our multi-scale transfer entropy analysis of EEG.

Evaluating metrics of local topographic position for multiscale geomorphometric analysis

NASA Astrophysics Data System (ADS)

Newman, D. R.; Lindsay, J. B.; Cockburn, J. M. H.

2018-07-01

The field of geomorphometry has increasingly moved towards the use of multiscale analytical techniques, due to the availability of fine-resolution digital elevation models (DEMs) and the inherent scale-dependency of many DEM-derived attributes such as local topographic position (LTP). LTP is useful for landform and soils mapping and numerous other environmental applications. Multiple LTP metrics have been proposed and applied in the literature; however, elevation percentile (EP) is notable for its robustness to elevation error and applicability to non-Gaussian local elevation distributions, both of which are common characteristics of DEM data sets. Multiscale LTP analysis involves the estimation of spatial patterns using a range of neighborhood sizes, traditionally achieved by applying spatial filtering techniques with varying kernel sizes. While EP can be demonstrated to provide accurate estimates of LTP, the computationally intensive method of its calculation makes it unsuited to multiscale LTP analysis, particularly at large neighborhood sizes or with fine-resolution DEMs. This research assessed the suitability of three LTP metrics for multiscale terrain characterization by quantifying their computational efficiency and by comparing their ability to approximate EP spatial patterns under varying topographic conditions. The tested LTP metrics included: deviation from mean elevation (DEV), percent elevation range (PER), and the novel relative topographic position (RTP) index. The results demonstrated that DEV, calculated using the integral image technique, offers fast and scale-invariant computation. DEV spatial patterns were strongly correlated with EP (r2 range of 0.699 to 0.967) under all tested topographic conditions. RTP was also a strong predictor of EP (r2 range of 0.594 to 0.917). PER was the weakest predictor of EP (r2 range of 0.031 to 0.801) without offering a substantial improvement in computational efficiency over RTP. PER was therefore determined to

Multiscale analysis of structure development in expanded starch snacks

NASA Astrophysics Data System (ADS)

van der Sman, R. G. M.; Broeze, J.

2014-11-01

In this paper we perform a multiscale analysis of the food structuring process of the expansion of starchy snack foods like keropok, which obtains a solid foam structure. In particular, we want to investigate the validity of the hypothesis of Kokini and coworkers, that expansion is optimal at the moisture content, where the glass transition and the boiling line intersect. In our analysis we make use of several tools, (1) time scale analysis from the field of physical transport phenomena, (2) the scale separation map (SSM) developed within a multiscale simulation framework of complex automata, (3) the supplemented state diagram (SSD), depicting phase transition and glass transition lines, and (4) a multiscale simulation model for the bubble expansion. Results of the time scale analysis are plotted in the SSD, and give insight into the dominant physical processes involved in expansion. Furthermore, the results of the time scale analysis are used to construct the SSM, which has aided us in the construction of the multiscale simulation model. Simulation results are plotted in the SSD. This clearly shows that the hypothesis of Kokini is qualitatively true, but has to be refined. Our results show that bubble expansion is optimal for moisture content, where the boiling line for gas pressure of 4 bars intersects the isoviscosity line of the critical viscosity 106 Pa.s, which runs parallel to the glass transition line.

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

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

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 Conservationmore » 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

Multiscale Analysis of Delamination of Carbon Fiber-Epoxy Laminates with Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Riddick, Jaret C.; Frankland, SJV; Gates, TS

2006-01-01

A multi-scale analysis is presented to parametrically describe the Mode I delamination of a carbon fiber/epoxy laminate. In the midplane of the laminate, carbon nanotubes are included for the purposes of selectively enhancing the fracture toughness of the laminate. To analyze carbon fiber epoxy carbon nanotube laminate, the multi-scale methodology presented here links a series of parameterizations taken at various length scales ranging from the atomistic through the micromechanical to the structural level. At the atomistic scale molecular dynamics simulations are performed in conjunction with an equivalent continuum approach to develop constitutive properties for representative volume elements of the molecular structure of components of the laminate. The molecular-level constitutive results are then used in the Mori-Tanaka micromechanics to develop bulk properties for the epoxy-carbon nanotube matrix system. In order to demonstrate a possible application of this multi-scale methodology, a double cantilever beam specimen is modeled. An existing analysis is employed which uses discrete springs to model the fiber bridging affect during delamination propagation. In the absence of empirical data or a damage mechanics model describing the effect of CNTs on fracture toughness, several tractions laws are postulated, linking CNT volume fraction to fiber bridging in a DCB specimen. Results from this demonstration are presented in terms of DCB specimen load-displacement responses.

Understanding Prairie Fen Hydrology - a Hierarchical Multi-Scale Groundwater Modeling Approach

NASA Astrophysics Data System (ADS)

Sampath, P.; Liao, H.; Abbas, H.; Ma, L.; Li, S.

2012-12-01

Prairie fens provide critical habitat to more than 50 rare species and significantly contribute to the biodiversity of the upper Great Lakes region. The sustainability of these globally unique ecosystems, however, requires that they be fed by a steady supply of pristine, calcareous groundwater. Understanding the hydrology that supports the existence of such fens is essential in preserving these valuable habitats. This research uses process-based multi-scale groundwater modeling for this purpose. Two fen-sites, MacCready Fen and Ives Road Fen, in Southern Michigan were systematically studied. A hierarchy of nested steady-state models was built for each fen-site to capture the system's dynamics at spatial scales ranging from the regional groundwater-shed to the local fens. The models utilize high-resolution Digital Elevation Models (DEM), National Hydrologic Datasets (NHD), a recently-assembled water-well database, and results from a state-wide groundwater mapping project to represent the complex hydro-geological and stress framework. The modeling system simulates both shallow glacial and deep bedrock aquifers as well as the interaction between surface water and groundwater. Aquifer heterogeneities were explicitly simulated with multi-scale transition probability geo-statistics. A two-way hydraulic head feedback mechanism was set up between the nested models, such that the parent models provided boundary conditions to the child models, and in turn the child models provided local information to the parent models. A hierarchical mass budget analysis was performed to estimate the seepage fluxes at the surface water/groundwater interfaces and to assess the relative importance of the processes at multiple scales that contribute water to the fens. The models were calibrated using observed base-flows at stream gauging stations and/or static water levels at wells. Three-dimensional particle tracking was used to predict the sources of water to the fens. We observed from the

Multiscale quantification of tissue spiculation and distortion for detection of architectural distortion and spiculated mass in mammography

NASA Astrophysics Data System (ADS)

Lao, Zhiqiang; Zheng, Xin

2011-03-01

This paper proposes a multiscale method to quantify tissue spiculation and distortion in mammography CAD systems that aims at improving the sensitivity in detecting architectural distortion and spiculated mass. This approach addresses the difficulty of predetermining the neighborhood size for feature extraction in characterizing lesions demonstrating spiculated mass/architectural distortion that may appear in different sizes. The quantification is based on the recognition of tissue spiculation and distortion pattern using multiscale first-order phase portrait model in texture orientation field generated by Gabor filter bank. A feature map is generated based on the multiscale quantification for each mammogram and two features are then extracted from the feature map. These two features will be combined with other mass features to provide enhanced discriminate ability in detecting lesions demonstrating spiculated mass and architectural distortion. The efficiency and efficacy of the proposed method are demonstrated with results obtained by applying the method to over 500 cancer cases and over 1000 normal cases.

Tunable Multiscale Nanoparticle Ordering by Polymer Crystallization

PubMed Central

2017-01-01

While ∼75% of commercially utilized polymers are semicrystalline, the generally low mechanical modulus of these materials, especially for those possessing a glass transition temperature below room temperature, restricts their use for structural applications. Our focus in this paper is to address this deficiency through the controlled, multiscale assembly of nanoparticles (NPs), in particular by leveraging the kinetics of polymer crystallization. This process yields a multiscale NP structure that is templated by the lamellar semicrystalline polymer morphology and spans NPs engulfed by the growing crystals, NPs ordered into layers in the interlamellar zone [spacing of (10–100 nm)], and NPs assembled into fractal objects at the interfibrillar scale, (1–10 μm). The relative fraction of NPs in this hierarchy is readily manipulated by the crystallization speed. Adding NPs usually increases the Young’s modulus of the polymer, but the effects of multiscale ordering are nearly an order of magnitude larger than those for a state where the NPs are not ordered, i.e., randomly dispersed in the matrix. Since the material’s fracture toughness remains practically unaffected in this process, this assembly strategy allows us to create high modulus materials that retain the attractive high toughness and low density of polymers. PMID:28776017

Generalized Momentum Control of the Spin-Stabilized Magnetospheric Multiscale Formation

NASA Technical Reports Server (NTRS)

Queen, Steven Z.; Shah, Neerav; Benegalrao, Suyog S.; Blackman, Kathie

2015-01-01

The Magnetospheric Multiscale (MMS) mission consists of four identically instrumented, spin-stabilized observatories elliptically orbiting the Earth in a tetrahedron formation. The on-board attitude control system adjusts the angular momentum of the system using a generalized thruster-actuated control system that simultaneously manages precession, nutation and spin. Originally developed using Lyapunov control-theory with rate-feedback, a published algorithm has been augmented to provide a balanced attitude/rate response using a single weighting parameter. This approach overcomes an orientation sign-ambiguity in the existing formulation, and also allows for a smoothly tuned-response applicable to both a compact/agile spacecraft, as well as one with large articulating appendages.

Multi-scale Modeling in Clinical Oncology: Opportunities and Barriers to Success.

PubMed

Yankeelov, Thomas E; An, Gary; Saut, Oliver; Luebeck, E Georg; Popel, Aleksander S; Ribba, Benjamin; Vicini, Paolo; Zhou, Xiaobo; Weis, Jared A; Ye, Kaiming; Genin, Guy M

2016-09-01

Hierarchical processes spanning several orders of magnitude of both space and time underlie nearly all cancers. Multi-scale statistical, mathematical, and computational modeling methods are central to designing, implementing and assessing treatment strategies that account for these hierarchies. The basic science underlying these modeling efforts is maturing into a new discipline that is close to influencing and facilitating clinical successes. The purpose of this review is to capture the state-of-the-art as well as the key barriers to success for multi-scale modeling in clinical oncology. We begin with a summary of the long-envisioned promise of multi-scale modeling in clinical oncology, including the synthesis of disparate data types into models that reveal underlying mechanisms and allow for experimental testing of hypotheses. We then evaluate the mathematical techniques employed most widely and present several examples illustrating their application as well as the current gap between pre-clinical and clinical applications. We conclude with a discussion of what we view to be the key challenges and opportunities for multi-scale modeling in clinical oncology.

Multi-scale Modeling in Clinical Oncology: Opportunities and Barriers to Success

PubMed Central

Yankeelov, Thomas E.; An, Gary; Saut, Oliver; Luebeck, E. Georg; Popel, Aleksander S.; Ribba, Benjamin; Vicini, Paolo; Zhou, Xiaobo; Weis, Jared A.; Ye, Kaiming; Genin, Guy M.

2016-01-01

Hierarchical processes spanning several orders of magnitude of both space and time underlie nearly all cancers. Multi-scale statistical, mathematical, and computational modeling methods are central to designing, implementing and assessing treatment strategies that account for these hierarchies. The basic science underlying these modeling efforts is maturing into a new discipline that is close to influencing and facilitating clinical successes. The purpose of this review is to capture the state-of-the-art as well as the key barriers to success for multi-scale modeling in clinical oncology. We begin with a summary of the long-envisioned promise of multi-scale modeling in clinical oncology, including the synthesis of disparate data types into models that reveal underlying mechanisms and allow for experimental testing of hypotheses. We then evaluate the mathematical techniques employed most widely and present several examples illustrating their application as well as the current gap between pre-clinical and clinical applications. We conclude with a discussion of what we view to be the key challenges and opportunities for multi-scale modeling in clinical oncology. PMID:27384942

Multiscale Cues Drive Collective Cell Migration

NASA Astrophysics Data System (ADS)

Nam, Ki-Hwan; Kim, Peter; Wood, David K.; Kwon, Sunghoon; Provenzano, Paolo P.; Kim, Deok-Ho

2016-07-01

To investigate complex biophysical relationships driving directed cell migration, we developed a biomimetic platform that allows perturbation of microscale geometric constraints with concomitant nanoscale contact guidance architectures. This permits us to elucidate the influence, and parse out the relative contribution, of multiscale features, and define how these physical inputs are jointly processed with oncogenic signaling. We demonstrate that collective cell migration is profoundly enhanced by the addition of contract guidance cues when not otherwise constrained. However, while nanoscale cues promoted migration in all cases, microscale directed migration cues are dominant as the geometric constraint narrows, a behavior that is well explained by stochastic diffusion anisotropy modeling. Further, oncogene activation (i.e. mutant PIK3CA) resulted in profoundly increased migration where extracellular multiscale directed migration cues and intrinsic signaling synergistically conspire to greatly outperform normal cells or any extracellular guidance cues in isolation.

Modelling of cementitious backfill interactions with vitrified intermediate-level waste

NASA Astrophysics Data System (ADS)

Baston, Graham; Heath, Timothy; Hunter, Fiona; Swanton, Stephen

2017-06-01

New types of wasteform are being considered for the geological disposal of radioactive intermediate-level waste (ILW) in the UK. These include vitrified ILW products arising from the application of thermal treatment processes. For disposal of such wasteforms in a geological disposal facility, a range of concepts are under consideration, including those with a high-pH cementitious backfill (the NRVB, Nirex Reference Vault Backfill). Alternatively, a cement-based material that buffers to a less alkaline pH could be used (an LPB, Low-pH Backfill). To assess the compatibility of these potential new wasteforms with cement-based disposal concepts, it is necessary to understand their impacts on the long-term evolution of the backfill. A scoping thermodynamic modelling study was undertaken to help understand the possible effects of these wasteforms on the performance of the backfill. The model primarily considers the interactions occurring between the vitirified waste, the porewater and the backfill, within a static and (in most cases) totally closed system. The approach was simplified by assuming equilibrium between the backfill and the corroded glass available at selected times, rather than involving detailed, reactive transport modelling. The aim was to provide an understanding of whether the impacts of the vitrified wastes on backfill performance are sufficient to compromise disposal in such environments. The calculations indicated that for NRVB, the overall alkaline buffering capacity of the backfill is not expected to be impaired by interactions with vitrified waste; rather the buffering will be to less alkaline pH values (above pH 9) but for a longer period. For the LPB, slightly lower pH values were predicted in some cases. The sorption capacities of the backfills are unlikely to be impaired by interactions with vitrified ILW. Indeed they may be increased, due to the additional C-S-H phase formation. The results of this study suggest that disposal of vitrified ILW

The microbiology of the Maqarin site, Jordan -- A natural analogue for cementitious radioactive waste repositories

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

West, J.M.; Coombs, P.; Gardner, S.J.

1995-12-31

The Maqarin site, Jordan is being studied as a natural analogue of a cementitious radioactive waste repository. The microbiology has been studied and diverse microbial populations capable of tolerating alkaline pH were detected at all sampling localities. Dissolved organic carbon was identified as the potentially most important reductant with sulfate identified as the main oxidant, both supply energy for microbial life. Calculations on upper limits of microbial numbers were made with a microbiology code (MGSE) using existing information but the results are overestimates when compared with field observations. This indicates that the model is very conservative and that more informationmore » on, for example, carbon sources is required.« less

The Magnetospheric Multiscale Constellation

NASA Technical Reports Server (NTRS)

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

2015-01-01

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.

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

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

Fast online generalized multiscale finite element method using constraint energy minimization

NASA Astrophysics Data System (ADS)

Chung, Eric T.; Efendiev, Yalchin; Leung, Wing Tat

2018-02-01

Local multiscale methods often construct multiscale basis functions in the offline stage without taking into account input parameters, such as source terms, boundary conditions, and so on. These basis functions are then used in the online stage with a specific input parameter to solve the global problem at a reduced computational cost. Recently, online approaches have been introduced, where multiscale basis functions are adaptively constructed in some regions to reduce the error significantly. In multiscale methods, it is desired to have only 1-2 iterations to reduce the error to a desired threshold. Using Generalized Multiscale Finite Element Framework [10], it was shown that by choosing sufficient number of offline basis functions, the error reduction can be made independent of physical parameters, such as scales and contrast. In this paper, our goal is to improve this. Using our recently proposed approach [4] and special online basis construction in oversampled regions, we show that the error reduction can be made sufficiently large by appropriately selecting oversampling regions. Our numerical results show that one can achieve a three order of magnitude error reduction, which is better than our previous methods. We also develop an adaptive algorithm and enrich in selected regions with large residuals. In our adaptive method, we show that the convergence rate can be determined by a user-defined parameter and we confirm this by numerical simulations. The analysis of the method is presented.

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.

The Multiscale Robin Coupled Method for flows in porous media

NASA Astrophysics Data System (ADS)

Guiraldello, Rafael T.; Ausas, Roberto F.; Sousa, Fabricio S.; Pereira, Felipe; Buscaglia, Gustavo C.

2018-02-01

A multiscale mixed method aiming at the accurate approximation of velocity and pressure fields in heterogeneous porous media is proposed. The procedure is based on a new domain decomposition method in which the local problems are subject to Robin boundary conditions. The domain decomposition procedure is defined in terms of two independent spaces on the skeleton of the decomposition, corresponding to interface pressures and fluxes, that can be chosen with great flexibility to accommodate local features of the underlying permeability fields. The well-posedness of the new domain decomposition procedure is established and its connection with the method of Douglas et al. (1993) [12], is identified, also allowing us to reinterpret the known procedure as an optimized Schwarz (or Two-Lagrange-Multiplier) method. The multiscale property of the new domain decomposition method is indicated, and its relation with the Multiscale Mortar Mixed Finite Element Method (MMMFEM) and the Multiscale Hybrid-Mixed (MHM) Finite Element Method is discussed. Numerical simulations are presented aiming at illustrating several features of the new method. Initially we illustrate the possibility of switching from MMMFEM to MHM by suitably varying the Robin condition parameter in the new multiscale method. Then we turn our attention to realistic flows in high-contrast, channelized porous formations. We show that for a range of values of the Robin condition parameter our method provides better approximations for pressure and velocity than those computed with either the MMMFEM and the MHM. This is an indication that our method has the potential to produce more accurate velocity fields in the presence of rough, realistic permeability fields of petroleum reservoirs.

Mesoscale Fracture Analysis of Multiphase Cementitious Composites Using Peridynamics

PubMed Central

Yaghoobi, Amin; Chorzepa, Mi G.; Kim, S. Sonny; Durham, Stephan A.

2017-01-01

Concrete is a complex heterogeneous material, and thus, it is important to develop numerical modeling methods to enhance the prediction accuracy of the fracture mechanism. In this study, a two-dimensional mesoscale model is developed using a non-ordinary state-based peridynamic (NOSBPD) method. Fracture in a concrete cube specimen subjected to pure tension is studied. The presence of heterogeneous materials consisting of coarse aggregates, interfacial transition zones, air voids and cementitious matrix is characterized as particle points in a two-dimensional mesoscale model. Coarse aggregates and voids are generated using uniform probability distributions, while a statistical study is provided to comprise the effect of random distributions of constituent materials. In obtaining the steady-state response, an incremental and iterative solver is adopted for the dynamic relaxation method. Load-displacement curves and damage patterns are compared with available experimental and finite element analysis (FEA) results. Although the proposed model uses much simpler material damage models and discretization schemes, the load-displacement curves show no difference from the FEA results. Furthermore, no mesh refinement is necessary, as fracture is inherently characterized by bond breakages. Finally, a sensitivity study is conducted to understand the effect of aggregate volume fraction and porosity on the load capacity of the proposed mesoscale model. PMID:28772518

Magnetospheric Multiscale Mission Navigation Performance During Apogee-Raising and Beyond

NASA Technical Reports Server (NTRS)

Farahmand, Mitra; Long, Anne; Hollister, Jacob; Rose, Julie; Godine, Dominic

2017-01-01

The primary objective of the Magnetospheric Multiscale (MMS) Mission is to study the magnetic reconnection phenomena in the Earths magnetosphere. The MMS mission consists of four identical spinning spacecraft with the science objectives requiring a tetrahedral formation in highly elliptical orbits. The MMS spacecraft are equipped with onboard orbit and time determination software, provided by a weak-signal Global Positioning System (GPS) Navigator receiver hosting the Goddard Enhanced Onboard Navigation System (GEONS). This paper presents the results of MMS navigation performance analysis during the Phase 2a apogee-raising campaign and Phase 2b science segment of the mission.

Automated retina identification based on multiscale elastic registration.

PubMed

Figueiredo, Isabel N; Moura, Susana; Neves, Júlio S; Pinto, Luís; Kumar, Sunil; Oliveira, Carlos M; Ramos, João D

2016-12-01

In this work we propose a novel method for identifying individuals based on retinal fundus image matching. The method is based on the image registration of retina blood vessels, since it is known that the retina vasculature of an individual is a signature, i.e., a distinctive pattern of the individual. The proposed image registration consists of a multiscale affine registration followed by a multiscale elastic registration. The major advantage of this particular two-step image registration procedure is that it is able to account for both rigid and non-rigid deformations either inherent to the retina tissues or as a result of the imaging process itself. Afterwards a decision identification measure, relying on a suitable normalized function, is defined to decide whether or not the pair of images belongs to the same individual. The method is tested on a data set of 21721 real pairs generated from a total of 946 retinal fundus images of 339 different individuals, consisting of patients followed in the context of different retinal diseases and also healthy patients. The evaluation of its performance reveals that it achieves a very low false rejection rate (FRR) at zero FAR (the false acceptance rate), equal to 0.084, as well as a low equal error rate (EER), equal to 0.053. Moreover, the tests performed by using only the multiscale affine registration, and discarding the multiscale elastic registration, clearly show the advantage of the proposed approach. The outcome of this study also indicates that the proposed method is reliable and competitive with other existing retinal identification methods, and forecasts its future appropriateness and applicability in real-life applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

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

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the

Reconfiguration of Cortical Networks in MDD Uncovered by Multiscale Community Detection with fMRI.

PubMed

He, Ye; Lim, Sol; Fortunato, Santo; Sporns, Olaf; Zhang, Lei; Qiu, Jiang; Xie, Peng; Zuo, Xi-Nian

2018-04-01

Major depressive disorder (MDD) is known to be associated with altered interactions between distributed brain regions. How these regional changes relate to the reorganization of cortical functional systems, and their modulation by antidepressant medication, is relatively unexplored. To identify changes in the community structure of cortical functional networks in MDD, we performed a multiscale community detection algorithm on resting-state functional connectivity networks of unmedicated MDD (uMDD) patients (n = 46), medicated MDD (mMDD) patients (n = 38), and healthy controls (n = 50), which yielded a spectrum of multiscale community partitions. we selected an optimal resolution level by identifying the most stable community partition for each group. uMDD and mMDD groups exhibited a similar reconfiguration of the community structure of the visual association and the default mode systems but showed different reconfiguration profiles in the frontoparietal control (FPC) subsystems. Furthermore, the central system (somatomotor/salience) and 3 frontoparietal subsystems showed strengthened connectivity with other communities in uMDD but, with the exception of 1 frontoparietal subsystem, returned to control levels in mMDD. These findings provide evidence for reconfiguration of specific cortical functional systems associated with MDD, as well as potential effects of medication in restoring disease-related network alterations, especially those of the FPC system.

Model Uncertainty Quantification Methods For Data Assimilation In Partially Observed Multi-Scale Systems

NASA Astrophysics Data System (ADS)

Pathiraja, S. D.; van Leeuwen, P. J.

2017-12-01

Model Uncertainty Quantification remains one of the central challenges of effective Data Assimilation (DA) in complex partially observed non-linear systems. Stochastic parameterization methods have been proposed in recent years as a means of capturing the uncertainty associated with unresolved sub-grid scale processes. Such approaches generally require some knowledge of the true sub-grid scale process or rely on full observations of the larger scale resolved process. We present a methodology for estimating the statistics of sub-grid scale processes using only partial observations of the resolved process. It finds model error realisations over a training period by minimizing their conditional variance, constrained by available observations. Special is that these realisations are binned conditioned on the previous model state during the minimization process, allowing for the recovery of complex error structures. The efficacy of the approach is demonstrated through numerical experiments on the multi-scale Lorenz 96' model. We consider different parameterizations of the model with both small and large time scale separations between slow and fast variables. Results are compared to two existing methods for accounting for model uncertainty in DA and shown to provide improved analyses and forecasts.

Transition between inverse and direct energy cascades in multiscale optical turbulence.

PubMed

Malkin, V M; Fisch, N J

2018-03-01

Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a single scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.

Transition between inverse and direct energy cascades in multiscale optical turbulence

NASA Astrophysics Data System (ADS)

Malkin, V. M.; Fisch, N. J.

2018-03-01

Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a single scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.

Phase diagrams of vortex matter with multi-scale inter-vortex interactions in layered superconductors.

PubMed

Meng, Qingyou; Varney, Christopher N; Fangohr, Hans; Babaev, Egor

2017-01-25

It was recently proposed to use the stray magnetic fields of superconducting vortex lattices to trap ultracold atoms for building quantum emulators. This calls for new methods for engineering and manipulating of the vortex states. One of the possible routes utilizes type-1.5 superconducting layered systems with multi-scale inter-vortex interactions. In order to explore the possible vortex states that can be engineered, we present two phase diagrams of phenomenological vortex matter models with multi-scale inter-vortex interactions featuring several attractive and repulsive length scales. The phase diagrams exhibit a plethora of phases, including conventional 2D lattice phases, five stripe phases, dimer, trimer, and tetramer phases, void phases, and stable low-temperature disordered phases. The transitions between these states can be controlled by the value of an applied external field.

Multiscale Currents Observed by MMS in the Flow Braking Region

NASA Astrophysics Data System (ADS)

Nakamura, Rumi; Varsani, Ali; Genestreti, Kevin J.; Le Contel, Olivier; Nakamura, Takuma; Baumjohann, Wolfgang; Nagai, Tsugunobu; Artemyev, Anton; Birn, Joachim; Sergeev, Victor A.; Apatenkov, Sergey; Ergun, Robert E.; Fuselier, Stephen A.; Gershman, Daniel J.; Giles, Barbara J.; Khotyaintsev, Yuri V.; Lindqvist, Per-Arne; Magnes, Werner; Mauk, Barry; Petrukovich, Anatoli; Russell, Christopher T.; Stawarz, Julia; Strangeway, Robert J.; Anderson, Brian; Burch, James L.; Bromund, Ken R.; Cohen, Ian; Fischer, David; Jaynes, Allison; Kepko, Laurence; Le, Guan; Plaschke, Ferdinand; Reeves, Geoff; Singer, Howard J.; Slavin, James A.; Torbert, Roy B.; Turner, Drew L.

2018-02-01

We present characteristics of current layers in the off-equatorial near-Earth plasma sheet boundary observed with high time-resolution measurements from the Magnetospheric Multiscale mission during an intense substorm associated with multiple dipolarizations. The four Magnetospheric Multiscale spacecraft, separated by distances of about 50 km, were located in the southern hemisphere in the dusk portion of a substorm current wedge. They observed fast flow disturbances (up to about 500 km/s), most intense in the dawn-dusk direction. Field-aligned currents were observed initially within the expanding plasma sheet, where the flow and field disturbances showed the distinct pattern expected in the braking region of localized flows. Subsequently, intense thin field-aligned current layers were detected at the inner boundary of equatorward moving flux tubes together with Earthward streaming hot ions. Intense Hall current layers were found adjacent to the field-aligned currents. In particular, we found a Hall current structure in the vicinity of the Earthward streaming ion jet that consisted of mixed ion components, that is, hot unmagnetized ions, cold E × B drifting ions, and magnetized electrons. Our observations show that both the near-Earth plasma jet diversion and the thin Hall current layers formed around the reconnection jet boundary are the sites where diversion of the perpendicular currents take place that contribute to the observed field-aligned current pattern as predicted by simulations of reconnection jets. Hence, multiscale structure of flow braking is preserved in the field-aligned currents in the off-equatorial plasma sheet and is also translated to ionosphere to become a part of the substorm field-aligned current system.

Multiscale Currents Observed by MMS in the Flow Braking Region.

PubMed

Nakamura, Rumi; Varsani, Ali; Genestreti, Kevin J; Le Contel, Olivier; Nakamura, Takuma; Baumjohann, Wolfgang; Nagai, Tsugunobu; Artemyev, Anton; Birn, Joachim; Sergeev, Victor A; Apatenkov, Sergey; Ergun, Robert E; Fuselier, Stephen A; Gershman, Daniel J; Giles, Barbara J; Khotyaintsev, Yuri V; Lindqvist, Per-Arne; Magnes, Werner; Mauk, Barry; Petrukovich, Anatoli; Russell, Christopher T; Stawarz, Julia; Strangeway, Robert J; Anderson, Brian; Burch, James L; Bromund, Ken R; Cohen, Ian; Fischer, David; Jaynes, Allison; Kepko, Laurence; Le, Guan; Plaschke, Ferdinand; Reeves, Geoff; Singer, Howard J; Slavin, James A; Torbert, Roy B; Turner, Drew L

2018-02-01

We present characteristics of current layers in the off-equatorial near-Earth plasma sheet boundary observed with high time-resolution measurements from the Magnetospheric Multiscale mission during an intense substorm associated with multiple dipolarizations. The four Magnetospheric Multiscale spacecraft, separated by distances of about 50 km, were located in the southern hemisphere in the dusk portion of a substorm current wedge. They observed fast flow disturbances (up to about 500 km/s), most intense in the dawn-dusk direction. Field-aligned currents were observed initially within the expanding plasma sheet, where the flow and field disturbances showed the distinct pattern expected in the braking region of localized flows. Subsequently, intense thin field-aligned current layers were detected at the inner boundary of equatorward moving flux tubes together with Earthward streaming hot ions. Intense Hall current layers were found adjacent to the field-aligned currents. In particular, we found a Hall current structure in the vicinity of the Earthward streaming ion jet that consisted of mixed ion components, that is, hot unmagnetized ions, cold E × B drifting ions, and magnetized electrons. Our observations show that both the near-Earth plasma jet diversion and the thin Hall current layers formed around the reconnection jet boundary are the sites where diversion of the perpendicular currents take place that contribute to the observed field-aligned current pattern as predicted by simulations of reconnection jets. Hence, multiscale structure of flow braking is preserved in the field-aligned currents in the off-equatorial plasma sheet and is also translated to ionosphere to become a part of the substorm field-aligned current system.

Multiscale low-frequency circulation modes in the global atmosphere

NASA Technical Reports Server (NTRS)

Lau, K.-M.; Sheu, P.-J.; Kang, I.-S.

1994-01-01

In this paper, fundamental multiscale circulation modes in the global atmosphere are identified with the objective of providing better understanding of atmospheric low-frequency variabilities over a wide range of spatial and temporal scales. With the use of a combination of rotated principal component technique, singular spectrum analysis, and phase space portraits, three categories of basic multiscale modes in the atmosphere are found. The first is the interannual-mode (IAM), which is dominated by time scales longer than a year and can be attributed to heating and circulation anomalies associated with the coupled tropical ocean-atmosphere, in particular the El Nino-Southern Oscillation. The second is a set of tropical intraseasonal modes consisting of three separate multiscale patterns (ISO-1, -2, -3) related to tropical heating that can be identified with the different phases of the Madden-Julian Oscillation (MJO), including its teleconnection to the extratropics. The ISO spatial and temporal patterns suggest that the extratropical wave train in the North Pacific and North America is related to heating over the Maritime Continent and that the evolution of the MJO around the equator may require forcing from the extratropics spawning convection over the Indian Ocean. The third category represents extratropical intraseasonal oscillations arising from internal dynamics of the basic-state circulation. In the Northern Hemisphere, there are two distinct circulation modes with multiple frequencies in this category: the Pacific/North America (PNA) and the North Atlantic/Eurasia (NAE). In the Southern Hemisphere, two phase-locked modes (PSA-1 and PSA-2) are found depicting an eastward propagating wave train from eastern Australia, via the Pacific South America to the South Atlantic. The extratropical modes exhibit temporal characteristics such as phase locking and harmonic oscillations possibly associated with quadratically nonlinear dynamical systems. Additionally, the

Multiplex lithography for multilevel multiscale architectures and its application to polymer electrolyte membrane fuel cell

NASA Astrophysics Data System (ADS)

Cho, Hyesung; Moon Kim, Sang; Sik Kang, Yun; Kim, Junsoo; Jang, Segeun; Kim, Minhyoung; Park, Hyunchul; Won Bang, Jung; Seo, Soonmin; Suh, Kahp-Yang; Sung, Yung-Eun; Choi, Mansoo

2015-09-01

The production of multiscale architectures is of significant interest in materials science, and the integration of those structures could provide a breakthrough for various applications. Here we report a simple yet versatile strategy that allows for the LEGO-like integrations of microscale membranes by quantitatively controlling the oxygen inhibition effects of ultraviolet-curable materials, leading to multilevel multiscale architectures. The spatial control of oxygen concentration induces different curing contrasts in a resin allowing the selective imprinting and bonding at different sides of a membrane, which enables LEGO-like integration together with the multiscale pattern formation. Utilizing the method, the multilevel multiscale Nafion membranes are prepared and applied to polymer electrolyte membrane fuel cell. Our multiscale membrane fuel cell demonstrates significant enhancement of performance while ensuring mechanical robustness. The performance enhancement is caused by the combined effect of the decrease of membrane resistance and the increase of the electrochemical active surface area.

Nanosystem self-assembly pathways discovered via all-atom multiscale analysis.

PubMed

Pankavich, Stephen D; Ortoleva, Peter J

2012-07-26

We consider the self-assembly of composite structures from a group of nanocomponents, each consisting of particles within an N-atom system. Self-assembly pathways and rates for nanocomposites are derived via a multiscale analysis of the classical Liouville equation. From a reduced statistical framework, rigorous stochastic equations for population levels of beginning, intermediate, and final aggregates are also derived. It is shown that the definition of an assembly type is a self-consistency criterion that must strike a balance between precision and the need for population levels to be slowly varying relative to the time scale of atomic motion. The deductive multiscale approach is complemented by a qualitative notion of multicomponent association and the ensemble of exact atomic-level configurations consistent with them. In processes such as viral self-assembly from proteins and RNA or DNA, there are many possible intermediates, so that it is usually difficult to predict the most efficient assembly pathway. However, in the current study, rates of assembly of each possible intermediate can be predicted. This avoids the need, as in a phenomenological approach, for recalibration with each new application. The method accounts for the feedback across scales in space and time that is fundamental to nanosystem self-assembly. The theory has applications to bionanostructures, geomaterials, engineered composites, and nanocapsule therapeutic delivery systems.

Towards multiscale modeling of influenza infection

PubMed Central

Murillo, Lisa N.; Murillo, Michael S.; Perelson, Alan S.

2013-01-01

Aided by recent advances in computational power, algorithms, and higher fidelity data, increasingly detailed theoretical models of infection with influenza A virus are being developed. We review single scale models as they describe influenza infection from intracellular to global scales, and, in particular, we consider those models that capture details specific to influenza and can be used to link different scales. We discuss the few multiscale models of influenza infection that have been developed in this emerging field. In addition to discussing modeling approaches, we also survey biological data on influenza infection and transmission that is relevant for constructing influenza infection models. We envision that, in the future, multiscale models that capitalize on technical advances in experimental biology and high performance computing could be used to describe the large spatial scale epidemiology of influenza infection, evolution of the virus, and transmission between hosts more accurately. PMID:23608630

Evaluation of blends bauxite-calcination-method red mud with other industrial wastes as a cementitious material: properties and hydration characteristics.

PubMed

Zhang, Na; Liu, Xiaoming; Sun, Henghu; Li, Longtu

2011-01-15

Red mud is generated from alumina production, and its disposal is currently a worldwide problem. In China, large quantities of red mud derived from bauxite calcination method are being discharged annually, and its utilization has been an urgent topic. This experimental research was to evaluate the feasibility of blends red mud derived from bauxite calcination method with other industrial wastes for use as a cementitious material. The developed cementitious material containing 30% of the bauxite-calcination-method red mud possessed compressive strength properties at a level similar to normal Portland cement, in the range of 45.3-49.5 MPa. Best compressive strength values were demonstrated by the specimen RSFC2 containing 30% bauxite-calcination-method red mud, 21% blast-furnace slag, 10% fly ash, 30% clinker, 8% gypsum and 1% compound agent. The mechanical and physical properties confirm the usefulness of RSFC2. The hydration characteristics of RSFC2 were characterized by XRD, FTIR, (27)Al MAS-NMR and SEM. As predominant hydration products, ettringite and amorphous C-S-H gel are principally responsible for the strength development of RSFC2. Comparing with the traditional production for ordinary Portland cement, this green technology is easier to be implemented and energy saving. This paper provides a key solution to effectively utilize bauxite-calcination-method red mud. Copyright © 2010 Elsevier B.V. All rights reserved.

Medical image classification based on multi-scale non-negative sparse coding.

PubMed

Zhang, Ruijie; Shen, Jian; Wei, Fushan; Li, Xiong; Sangaiah, Arun Kumar

2017-11-01

With the rapid development of modern medical imaging technology, medical image classification has become more and more important in medical diagnosis and clinical practice. Conventional medical image classification algorithms usually neglect the semantic gap problem between low-level features and high-level image semantic, which will largely degrade the classification performance. To solve this problem, we propose a multi-scale non-negative sparse coding based medical image classification algorithm. Firstly, Medical images are decomposed into multiple scale layers, thus diverse visual details can be extracted from different scale layers. Secondly, for each scale layer, the non-negative sparse coding model with fisher discriminative analysis is constructed to obtain the discriminative sparse representation of medical images. Then, the obtained multi-scale non-negative sparse coding features are combined to form a multi-scale feature histogram as the final representation for a medical image. Finally, SVM classifier is combined to conduct medical image classification. The experimental results demonstrate that our proposed algorithm can effectively utilize multi-scale and contextual spatial information of medical images, reduce the semantic gap in a large degree and improve medical image classification performance. Copyright © 2017 Elsevier B.V. All rights reserved.

Wavelet-based multiscale analysis of minimum toe clearance variability in the young and elderly during walking.

PubMed

Khandoker, Ahsan H; Karmakar, Chandan K; Begg, Rezaul K; Palaniswami, Marimuthu

2007-01-01

As humans age or are influenced by pathology of the neuromuscular system, gait patterns are known to adjust, accommodating for reduced function in the balance control system. The aim of this study was to investigate the effectiveness of a wavelet based multiscale analysis of a gait variable [minimum toe clearance (MTC)] in deriving indexes for understanding age-related declines in gait performance and screening of balance impairments in the elderly. MTC during walking on a treadmill for 30 healthy young, 27 healthy elderly and 10 falls risk elderly subjects with a history of tripping falls were analyzed. The MTC signal from each subject was decomposed to eight detailed signals at different wavelet scales by using the discrete wavelet transform. The variances of detailed signals at scales 8 to 1 were calculated. The multiscale exponent (beta) was then estimated from the slope of the variance progression at successive scales. The variance at scale 5 was significantly (p<0.01) different between young and healthy elderly group. Results also suggest that the Beta between scales 1 to 2 are effective for recognizing falls risk gait patterns. Results have implication for quantifying gait dynamics in normal, ageing and pathological conditions. Early detection of gait pattern changes due to ageing and balance impairments using wavelet-based multiscale analysis might provide the opportunity to initiate preemptive measures to be undertaken to avoid injurious falls.

A scale-entropy diffusion equation to describe the multi-scale features of turbulent flames near a wall

NASA Astrophysics Data System (ADS)

Queiros-Conde, D.; Foucher, F.; Mounaïm-Rousselle, C.; Kassem, H.; Feidt, M.

2008-12-01

Multi-scale features of turbulent flames near a wall display two kinds of scale-dependent fractal features. In scale-space, an unique fractal dimension cannot be defined and the fractal dimension of the front is scale-dependent. Moreover, when the front approaches the wall, this dependency changes: fractal dimension also depends on the wall-distance. Our aim here is to propose a general geometrical framework that provides the possibility to integrate these two cases, in order to describe the multi-scale structure of turbulent flames interacting with a wall. Based on the scale-entropy quantity, which is simply linked to the roughness of the front, we thus introduce a general scale-entropy diffusion equation. We define the notion of “scale-evolutivity” which characterises the deviation of a multi-scale system from the pure fractal behaviour. The specific case of a constant “scale-evolutivity” over the scale-range is studied. In this case, called “parabolic scaling”, the fractal dimension is a linear function of the logarithm of scale. The case of a constant scale-evolutivity in the wall-distance space implies that the fractal dimension depends linearly on the logarithm of the wall-distance. We then verified experimentally, that parabolic scaling represents a good approximation of the real multi-scale features of turbulent flames near a wall.

Structural and mechanical study of concrete made from cementitious materials of low environmental impact

NASA Astrophysics Data System (ADS)

González, A. K.; Montaño, A. M.; González, C. P.; Santos, A.

2017-12-01

This work shows the results obtained by replacing Type I Portland®, by cementitious geopolymers materials, derived from minerals, in concrete mixtures. Synthesis of both geopolymers through alkaline activation of two alluminosilicates: Bentonite and Pumice with sodium silicate (Na2SiO3). XRD, SEM and XRDE are used to structural study of new geopolymers. Concrete mixtures with replacement of Portland have 10% and 30% of geopolymer. Finally, concrete mortars formed were mechanically analysed according to ICONTEC 220 at 7, 14, 28, 41, 90 and 120 days of cure. Results shows that compressive strength of concrete from Bentonite and Pumice are almost the same for the standard concrete at 28 days of cure. At 90 days of cure, compression resistance of concrete from Pumice at 10% is even higher than those that standard concrete shows.

Modified DFA and DCCA approach for quantifying the multiscale correlation structure of financial markets

NASA Astrophysics Data System (ADS)

Yin, Yi; Shang, Pengjian

2013-12-01

We use multiscale detrended fluctuation analysis (MSDFA) and multiscale detrended cross-correlation analysis (MSDCCA) to investigate auto-correlation (AC) and cross-correlation (CC) in the US and Chinese stock markets during 1997-2012. The results show that US and Chinese stock indices differ in terms of their multiscale AC structures. Stock indices in the same region also differ with regard to their multiscale AC structures. We analyze AC and CC behaviors among indices for the same region to determine similarity among six stock indices and divide them into four groups accordingly. We choose S&P500, NQCI, HSI, and the Shanghai Composite Index as representative samples for simplicity. MSDFA and MSDCCA results and average MSDFA spectra for local scaling exponents (LSEs) for individual series are presented. We find that the MSDCCA spectrum for LSE CC between two time series generally tends to be greater than the average MSDFA LSE spectrum for individual series. We obtain detailed multiscale structures and relations for CC between the four representatives. MSDFA and MSDCCA with secant rolling windows of different sizes are then applied to reanalyze the AC and CC. Vertical and horizontal comparisons of different window sizes are made. The MSDFA and MSDCCA results for the original window size are confirmed and some new interesting characteristics and conclusions regarding multiscale correlation structures are obtained.

Multiplex lithography for multilevel multiscale architectures and its application to polymer electrolyte membrane fuel cell

PubMed Central

Cho, Hyesung; Moon Kim, Sang; Sik Kang, Yun; Kim, Junsoo; Jang, Segeun; Kim, Minhyoung; Park, Hyunchul; Won Bang, Jung; Seo, Soonmin; Suh, Kahp-Yang; Sung, Yung-Eun; Choi, Mansoo

2015-01-01

The production of multiscale architectures is of significant interest in materials science, and the integration of those structures could provide a breakthrough for various applications. Here we report a simple yet versatile strategy that allows for the LEGO-like integrations of microscale membranes by quantitatively controlling the oxygen inhibition effects of ultraviolet-curable materials, leading to multilevel multiscale architectures. The spatial control of oxygen concentration induces different curing contrasts in a resin allowing the selective imprinting and bonding at different sides of a membrane, which enables LEGO-like integration together with the multiscale pattern formation. Utilizing the method, the multilevel multiscale Nafion membranes are prepared and applied to polymer electrolyte membrane fuel cell. Our multiscale membrane fuel cell demonstrates significant enhancement of performance while ensuring mechanical robustness. The performance enhancement is caused by the combined effect of the decrease of membrane resistance and the increase of the electrochemical active surface area. PMID:26412619

Hierarchical Multiscale Modeling of Macromolecules and their Assemblies

PubMed Central

Ortoleva, P.; Singharoy, A.; Pankavich, S.

2013-01-01

Soft materials (e.g., enveloped viruses, liposomes, membranes and supercooled liquids) simultaneously deform or display collective behaviors, while undergoing atomic scale vibrations and collisions. While the multiple space-time character of such systems often makes traditional molecular dynamics simulation impractical, a multiscale approach has been presented that allows for long-time simulation with atomic detail based on the co-evolution of slowly-varying order parameters (OPs) with the quasi-equilibrium probability density of atomic configurations. However, this approach breaks down when the structural change is extreme, or when nearest-neighbor connectivity of atoms is not maintained. In the current study, a self-consistent approach is presented wherein OPs and a reference structure co-evolve slowly to yield long-time simulation for dynamical soft-matter phenomena such as structural transitions and self-assembly. The development begins with the Liouville equation for N classical atoms and an ansatz on the form of the associated N-atom probability density. Multiscale techniques are used to derive Langevin equations for the coupled OP-configurational dynamics. The net result is a set of equations for the coupled stochastic dynamics of the OPs and centers of mass of the subsystems that constitute a soft material body. The theory is based on an all-atom methodology and an interatomic force field, and therefore enables calibration-free simulations of soft matter, such as macromolecular assemblies. PMID:23671457

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

DOE PAGES

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-05-08

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k yρ s < 1) and short wavelength electron-scale (k yρ s > 1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. We observe significant nonlinear cross-scale couplings in the multiscalemore » simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E x B shearing rate γ E x B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. And while the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Though computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of those plasmas with

A Multi-Scale Energy Food Systems Modeling Framework For Climate Adaptation

NASA Astrophysics Data System (ADS)

Siddiqui, S.; Bakker, C.; Zaitchik, B. F.; Hobbs, B. F.; Broaddus, E.; Neff, R.; Haskett, J.; Parker, C.

2016-12-01

Our goal is to understand coupled system dynamics across scales in a manner that allows us to quantify the sensitivity of critical human outcomes (nutritional satisfaction, household economic well-being) to development strategies and to climate or market induced shocks in sub-Saharan Africa. We adopt both bottom-up and top-down multi-scale modeling approaches focusing our efforts on food, energy, water (FEW) dynamics to define, parameterize, and evaluate modeled processes nationally as well as across climate zones and communities. Our framework comprises three complementary modeling techniques spanning local, sub-national and national scales to capture interdependencies between sectors, across time scales, and on multiple levels of geographic aggregation. At the center is a multi-player micro-economic (MME) partial equilibrium model for the production, consumption, storage, and transportation of food, energy, and fuels, which is the focus of this presentation. We show why such models can be very useful for linking and integrating across time and spatial scales, as well as a wide variety of models including an agent-based model applied to rural villages and larger population centers, an optimization-based electricity infrastructure model at a regional scale, and a computable general equilibrium model, which is applied to understand FEW resources and economic patterns at national scale. The MME is based on aggregating individual optimization problems for relevant players in an energy, electricity, or food market and captures important food supply chain components of trade and food distribution accounting for infrastructure and geography. Second, our model considers food access and utilization by modeling food waste and disaggregating consumption by income and age. Third, the model is set up to evaluate the effects of seasonality and system shocks on supply, demand, infrastructure, and transportation in both energy and food.

Covariance, correlation matrix, and the multiscale community structure of networks.

PubMed

Shen, Hua-Wei; Cheng, Xue-Qi; Fang, Bin-Xing

2010-07-01

Empirical studies show that real world networks often exhibit multiple scales of topological descriptions. However, it is still an open problem how to identify the intrinsic multiple scales of networks. In this paper, we consider detecting the multiscale community structure of network from the perspective of dimension reduction. According to this perspective, a covariance matrix of network is defined to uncover the multiscale community structure through the translation and rotation transformations. It is proved that the covariance matrix is the unbiased version of the well-known modularity matrix. We then point out that the translation and rotation transformations fail to deal with the heterogeneous network, which is very common in nature and society. To address this problem, a correlation matrix is proposed through introducing the rescaling transformation into the covariance matrix. Extensive tests on real world and artificial networks demonstrate that the correlation matrix significantly outperforms the covariance matrix, identically the modularity matrix, as regards identifying the multiscale community structure of network. This work provides a novel perspective to the identification of community structure and thus various dimension reduction methods might be used for the identification of community structure. Through introducing the correlation matrix, we further conclude that the rescaling transformation is crucial to identify the multiscale community structure of network, as well as the translation and rotation transformations.

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis

PubMed Central

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-01-01

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods. PMID:29690526

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis.

PubMed

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-04-21

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods.

How next-generation sequencing and multiscale data analysis will transform infectious disease management.

PubMed

Pak, Theodore R; Kasarskis, Andrew

2015-12-01

Recent reviews have examined the extent to which routine next-generation sequencing (NGS) on clinical specimens will improve the capabilities of clinical microbiology laboratories in the short term, but do not explore integrating NGS with clinical data from electronic medical records (EMRs), immune profiling data, and other rich datasets to create multiscale predictive models. This review introduces a range of "omics" and patient data sources relevant to managing infections and proposes 3 potentially disruptive applications for these data in the clinical workflow. The combined threats of healthcare-associated infections and multidrug-resistant organisms may be addressed by multiscale analysis of NGS and EMR data that is ideally updated and refined over time within each healthcare organization. Such data and analysis should form the cornerstone of future learning health systems for infectious disease. © The Author 2015. Published by Oxford University Press on behalf of the Infectious Diseases Society of America.

Multi-Scale Modeling, Surrogate-Based Analysis, and Optimization of Lithium-Ion Batteries for Vehicle Applications

NASA Astrophysics Data System (ADS)

Du, Wenbo

A common attribute of electric-powered aerospace vehicles and systems such as unmanned aerial vehicles, hybrid- and fully-electric aircraft, and satellites is that their performance is usually limited by the energy density of their batteries. Although lithium-ion batteries offer distinct advantages such as high voltage and low weight over other battery technologies, they are a relatively new development, and thus significant gaps in the understanding of the physical phenomena that govern battery performance remain. As a result of this limited understanding, batteries must often undergo a cumbersome design process involving many manual iterations based on rules of thumb and ad-hoc design principles. A systematic study of the relationship between operational, geometric, morphological, and material-dependent properties and performance metrics such as energy and power density is non-trivial due to the multiphysics, multiphase, and multiscale nature of the battery system. To address these challenges, two numerical frameworks are established in this dissertation: a process for analyzing and optimizing several key design variables using surrogate modeling tools and gradient-based optimizers, and a multi-scale model that incorporates more detailed microstructural information into the computationally efficient but limited macro-homogeneous model. In the surrogate modeling process, multi-dimensional maps for the cell energy density with respect to design variables such as the particle size, ion diffusivity, and electron conductivity of the porous cathode material are created. A combined surrogate- and gradient-based approach is employed to identify optimal values for cathode thickness and porosity under various operating conditions, and quantify the uncertainty in the surrogate model. The performance of multiple cathode materials is also compared by defining dimensionless transport parameters. The multi-scale model makes use of detailed 3-D FEM simulations conducted at the

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.

PubMed

Lagardère, Louis; Jolly, Luc-Henri; Lipparini, Filippo; Aviat, Félix; Stamm, Benjamin; Jing, Zhifeng F; Harger, Matthew; Torabifard, Hedieh; Cisneros, G Andrés; Schnieders, Michael J; Gresh, Nohad; Maday, Yvon; Ren, Pengyu Y; Ponder, Jay W; Piquemal, Jean-Philip

2018-01-28

We present Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles electrostatics. Tinker-HP is an evolution of the popular Tinker package code that conserves its simplicity of use and its reference double precision implementation for CPUs. Grounded on interdisciplinary efforts with applied mathematics, Tinker-HP allows for long polarizable MD simulations on large systems up to millions of atoms. We detail in the paper the newly developed extension of massively parallel 3D spatial decomposition to point dipole polarizable models as well as their coupling to efficient Krylov iterative and non-iterative polarization solvers. The design of the code allows the use of various computer systems ranging from laboratory workstations to modern petascale supercomputers with thousands of cores. Tinker-HP proposes therefore the first high-performance scalable CPU computing environment for the development of next generation point dipole PFFs and for production simulations. Strategies linking Tinker-HP to Quantum Mechanics (QM) in the framework of multiscale polarizable self-consistent QM/MD simulations are also provided. The possibilities, performances and scalability of the software are demonstrated via benchmarks calculations using the polarizable AMOEBA force field on systems ranging from large water boxes of increasing size and ionic liquids to (very) large biosystems encompassing several proteins as well as the complete satellite tobacco mosaic virus and ribosome structures. For small systems, Tinker-HP appears to be competitive with the Tinker-OpenMM GPU implementation of Tinker. As the system size grows, Tinker-HP remains operational thanks to its access to distributed memory and takes advantage of its new algorithmic enabling for stable long timescale polarizable simulations. Overall, a several thousand-fold acceleration over

Comparison of Multiscale Method of Cells-Based Models for Predicting Elastic Properties of Filament Wound C/C-SiC

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Fassin, Marek; Bednarcyk, Brett A.; Reese, Stefanie; Simon, Jaan-Willem

2017-01-01

Three different multiscale models, based on the method of cells (generalized and high fidelity) micromechanics models were developed and used to predict the elastic properties of C/C-SiC composites. In particular, the following multiscale modeling strategies were employed: Concurrent multiscale modeling of all phases using the generalized method of cells, synergistic (two-way coupling in space) multiscale modeling with the generalized method of cells, and hierarchical (one-way coupling in space) multiscale modeling with the high fidelity generalized method of cells. The three models are validated against data from a hierarchical multiscale finite element model in the literature for a repeating unit cell of C/C-SiC. Furthermore, the multiscale models are used in conjunction with classical lamination theory to predict the stiffness of C/C-SiC plates manufactured via a wet filament winding and liquid silicon infiltration process recently developed by the German Aerospace Institute.

Multi-scale computational modeling of developmental biology.

PubMed

Setty, Yaki

2012-08-01

Normal development of multicellular organisms is regulated by a highly complex process in which a set of precursor cells proliferate, differentiate and move, forming over time a functioning tissue. To handle their complexity, developmental systems can be studied over distinct scales. The dynamics of each scale is determined by the collective activity of entities at the scale below it. I describe a multi-scale computational approach for modeling developmental systems and detail the methodology through a synthetic example of a developmental system that retains key features of real developmental systems. I discuss the simulation of the system as it emerges from cross-scale and intra-scale interactions and describe how an in silico study can be carried out by modifying these interactions in a way that mimics in vivo experiments. I highlight biological features of the results through a comparison with findings in Caenorhabditis elegans germline development and finally discuss about the applications of the approach in real developmental systems and propose future extensions. The source code of the model of the synthetic developmental system can be found in www.wisdom.weizmann.ac.il/~yaki/MultiScaleModel. yaki.setty@gmail.com Supplementary data are available at Bioinformatics online.

SCM Paste Samples Exposed To Aggressive Solutions. Cementitious Barriers Partnership

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

Foster, T.

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.more » 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 SO 4 2– (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 material

Multiscale modeling and computation of optically manipulated nano devices

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

Bao, Gang, E-mail: baog@zju.edu.cn; Liu, Di, E-mail: richardl@math.msu.edu; Luo, Songting, E-mail: luos@iastate.edu

2016-07-01

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, andmore » use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.« less

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 (...

Multiscale Molecular Dynamics Simulations of Beta-Amyloid Interactions with Neurons

NASA Astrophysics Data System (ADS)

Qiu, Liming; Vaughn, Mark; Cheng, Kelvin

2012-10-01

Early events of human beta-amyloid protein interactions with cholesterol-containing membranes are critical to understanding the pathogenesis of Alzheimer's disease (AD) and to exploring new therapeutic interventions of AD. Atomistic molecular dynamics (AMD) simulations have been extensively used to study the protein-lipid interaction at high atomic resolutions. However, traditional MD simulations are not efficient in sampling the phase space of complex lipid/protein systems with rugged free energy landscapes. Meanwhile, coarse-grained MD (CGD) simulations are efficient in the phase space sampling but suffered from low spatial resolutions and from the fact that the energy landscapes are not identical to those of the AMD. Here, a multiscale approach was employed to simulate the protein-lipid interactions of beta-amyloid upon its release from proteolysis residing in the neuronal membranes. We utilized a forward (AMD to CGD) and reverse (CGD-AMD) strategy to explore new transmembrane and surface protein configuration and evaluate the stabilization mechanisms by measuring the residue-specific protein-lipid or protein conformations. The detailed molecular interactions revealed in this multiscale MD approach will provide new insights into understanding the early molecular events leading to the pathogenesis of AD.

Multiscale permutation entropy analysis of electrocardiogram

NASA Astrophysics Data System (ADS)

Liu, Tiebing; Yao, Wenpo; Wu, Min; Shi, Zhaorong; Wang, Jun; Ning, Xinbao

2017-04-01

To make a comprehensive nonlinear analysis to ECG, multiscale permutation entropy (MPE) was applied to ECG characteristics extraction to make a comprehensive nonlinear analysis of ECG. Three kinds of ECG from PhysioNet database, congestive heart failure (CHF) patients, healthy young and elderly subjects, are applied in this paper. We set embedding dimension to 4 and adjust scale factor from 2 to 100 with a step size of 2, and compare MPE with multiscale entropy (MSE). As increase of scale factor, MPE complexity of the three ECG signals are showing first-decrease and last-increase trends. When scale factor is between 10 and 32, complexities of the three ECG had biggest difference, entropy of the elderly is 0.146 less than the CHF patients and 0.025 larger than the healthy young in average, in line with normal physiological characteristics. Test results showed that MPE can effectively apply in ECG nonlinear analysis, and can effectively distinguish different ECG signals.

An algorithm for pavement crack detection based on multiscale space

NASA Astrophysics Data System (ADS)

Liu, Xiang-long; Li, Qing-quan

2006-10-01

Conventional human-visual and manual field pavement crack detection method and approaches are very costly, time-consuming, dangerous, labor-intensive and subjective. They possess various drawbacks such as having a high degree of variability of the measure results, being unable to provide meaningful quantitative information and almost always leading to inconsistencies in crack details over space and across evaluation, and with long-periodic measurement. With the development of the public transportation and the growth of the Material Flow System, the conventional method can far from meet the demands of it, thereby, the automatic pavement state data gathering and data analyzing system come to the focus of the vocation's attention, and developments in computer technology, digital image acquisition, image processing and multi-sensors technology made the system possible, but the complexity of the image processing always made the data processing and data analyzing come to the bottle-neck of the whole system. According to the above description, a robust and high-efficient parallel pavement crack detection algorithm based on Multi-Scale Space is proposed in this paper. The proposed method is based on the facts that: (1) the crack pixels in pavement images are darker than their surroundings and continuous; (2) the threshold values of gray-level pavement images are strongly related with the mean value and standard deviation of the pixel-grey intensities. The Multi-Scale Space method is used to improve the data processing speed and minimize the effectiveness caused by image noise. Experiment results demonstrate that the advantages are remarkable: (1) it can correctly discover tiny cracks, even from very noise pavement image; (2) the efficiency and accuracy of the proposed algorithm are superior; (3) its application-dependent nature can simplify the design of the entire system.

Numerical Simulations of a Multiscale Model of Stratified Langmuir Circulation

NASA Astrophysics Data System (ADS)

Malecha, Ziemowit; Chini, Gregory; Julien, Keith

2012-11-01

Langmuir circulation (LC), a prominent form of wind and surface-wave driven shear turbulence in the ocean surface boundary layer (BL), is commonly modeled using the Craik-Leibovich (CL) equations, a phase-averaged variant of the Navier-Stokes (NS) equations. Although surface-wave filtering renders the CL equations more amenable to simulation than are the instantaneous NS equations, simulations in wide domains, hundreds of times the BL depth, currently earn the ``grand challenge'' designation. To facilitate simulations of LC in such spatially-extended domains, we have derived multiscale CL equations by exploiting the scale separation between submesoscale and BL flows in the upper ocean. The numerical algorithm for simulating this multiscale model resembles super-parameterization schemes used in meteorology, but retains a firm mathematical basis. We have validated our algorithm and here use it to perform multiscale simulations of the interaction between LC and upper ocean density stratification. ZMM, GPC, KJ gratefully acknowledge funding from NSF CMG Award 0934827.

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.

Multiscale deformation behavior for multilayered steel by in-situ FE-SEM

NASA Astrophysics Data System (ADS)

Tanaka, Y.; Kishimoto, S.; Yin, F.; Kobayashi, M.; Tomimatsu, T.; Kagawa, K.

2010-03-01

The multi-scale deformation behavior of multi-layered steel during tensile loading was investigated by in-situ FE-SEM observation coupled with multi-scale pattern. The material used was multi-layered steel sheet consisting of martensitic and austenitic stainless steel layers. Prior to in-situ tensile testing, the multi-scale pattern combined with a grid and random dots were fabricated by electron beam lithography on the polished surface in the area of 1 mm2 to facilitate direct observation of multi-scale deformation. Both of the grids with pitches of 10 μm and a random speckle pattern ranging from 200 nm to a few μm sizes were drawn onto the specimen surface at same location. The electron moiré method was applied to measure the strain distribution in the deformed specimens at a millimeter scale and digital images correlation method was applied to measure the in-plane deformation and strain distribution at a micron meter scale acquired before and after at various increments of straining. The results showed that the plastic deformation in the austenitic stainless steel layer was larger than the martensitic steel layer at millimeter scale. However, heterogeneous intrinsic grain-scale plastic deformation was clearly observed and it increased with increasing the plastic deformation.

Getters for improved technetium containment in cementitious waste forms

DOE PAGES

Asmussen, R. Matthew; Pearce, Carolyn I.; Miller, Brian W.; ...

2017-07-26

A cementitious waste form, Cast Stone, is a possible candidate technology for the immobilization of low activity nuclear waste (LAW) at the Hanford site. This paper focuses on the addition of getter materials to Cast Stone that can sequester Tc from the LAW, and in turn, lower Tc release from the Cast Stone. Two getters which produce different products upon sequestering Tc from LAW were tested: Sn(II) apatite (Sn-A) that removes Tc as a Tc(IV)-oxide and potassium metal sulfide (KMS-2) that removes Tc as a Tc(IV)-sulfide species, allowing for a comparison of stability of the form of Tc upon enteringmore » the waste form. The Cast Stone with KMS-2 getter had the best performance with addition equivalent to ~0.08 wt% of the total waste form mass. The observed diffusion (D obs) of Tc decreased from 4.6 ± 0.2 × 10 -12 cm 2/s for Cast Stone that did not contain a getter to 5.4 ± 0.4 × 10 -13 cm 2/s for KMS-2 containing Cast Stone. Finally, it was found that Tc-sulfide species are more stable against re-oxidation within getter containing Cast Stone compared with Tc-oxide and is the origin of the decrease in Tc D obs when using the KMS-2.« less

Getters for improved technetium containment in cementitious waste forms.

PubMed

Asmussen, R Matthew; Pearce, Carolyn I; Miller, Brian W; Lawter, Amanda R; Neeway, James J; Lukens, Wayne W; Bowden, Mark E; Miller, Micah A; Buck, Edgar C; Serne, R Jeffery; Qafoku, Nikolla P

2018-01-05

A cementitious waste form, Cast Stone, is a possible candidate technology for the immobilization of low activity nuclear waste (LAW) at the Hanford site. This work focuses on the addition of getter materials to Cast Stone that can sequester Tc from the LAW, and in turn, lower Tc release from the Cast Stone. Two getters which produce different products upon sequestering Tc from LAW were tested: Sn(II) apatite (Sn-A) that removes Tc as a Tc(IV)-oxide and potassium metal sulfide (KMS-2) that removes Tc as a Tc(IV)-sulfide species, allowing for a comparison of stability of the form of Tc upon entering the waste form. The Cast Stone with KMS-2 getter had the best performance with addition equivalent to ∼0.08wt% of the total waste form mass. The observed diffusion (D obs ) of Tc decreased from 4.6±0.2×10 -12 cm 2 /s for Cast Stone that did not contain a getter to 5.4±0.4×10 -13 cm 2 /s for KMS-2 containing Cast Stone. It was found that Tc-sulfide species are more stable against re-oxidation within getter containing Cast Stone compared with Tc-oxide and is the origin of the decrease in Tc D obs when using the KMS-2. Copyright © 2017 Elsevier B.V. All rights reserved.

Multiscale approach to the physics of radiation damage with ions

NASA Astrophysics Data System (ADS)

Surdutovich, Eugene; Solov'yov, Andrey V.

2013-04-01

We review a multiscale approach to the physics of ion-beam cancer therapy, an approach suggested in order to understand the interplay of a large number of phenomena involved in radiation damage scenario occurring on a range of temporal, spatial, and energy scales. We briefly overview its history and present the current stage of its development. The differences of the multiscale approach from other methods of understanding and assessment of radiation damage are discussed as well as its relationship to other branches of physics, chemistry and biology.

Multiscale Shannon entropy and its application in the stock market

NASA Astrophysics Data System (ADS)

Gu, Rongbao

2017-10-01

In this paper, we perform a multiscale entropy analysis on the Dow Jones Industrial Average Index using the Shannon entropy. The stock index shows the characteristic of multi-scale entropy that caused by noise in the market. The entropy is demonstrated to have significant predictive ability for the stock index in both long-term and short-term, and empirical results verify that noise does exist in the market and can affect stock price. It has important implications on market participants such as noise traders.

Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics

NASA Technical Reports Server (NTRS)

Pisani, William A.; Radue, Matthew; Chinkanjanarot, Sorayot; Bednarcyk, Brett A.; Pineda, Evan J.; King, Julia A.; Odegard, Gregory M.

2018-01-01

Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.

Finite Dimensional Approximations for Continuum Multiscale Problems

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

Berlyand, Leonid

2017-01-24

The completed research project concerns the development of novel computational techniques for modeling nonlinear multiscale physical and biological phenomena. Specifically, it addresses the theoretical development and applications of the homogenization theory (coarse graining) approach to calculation of the effective properties of highly heterogenous biological and bio-inspired materials with many spatial scales and nonlinear behavior. This theory studies properties of strongly heterogeneous media in problems arising in materials science, geoscience, biology, etc. Modeling of such media raises fundamental mathematical questions, primarily in partial differential equations (PDEs) and calculus of variations, the subject of the PI’s research. The focus of completed researchmore » was on mathematical models of biological and bio-inspired materials with the common theme of multiscale analysis and coarse grain computational techniques. Biological and bio-inspired materials offer the unique ability to create environmentally clean functional materials used for energy conversion and storage. These materials are intrinsically complex, with hierarchical organization occurring on many nested length and time scales. The potential to rationally design and tailor the properties of these materials for broad energy applications has been hampered by the lack of computational techniques, which are able to bridge from the molecular to the macroscopic scale. The project addressed the challenge of computational treatments of such complex materials by the development of a synergistic approach that combines innovative multiscale modeling/analysis techniques with high performance computing.« less

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions

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

Burke, Michael P.; Goldsmith, C. Franklin; Klippenstein, Stephen J.

2015-07-16

We have developed a multi-scale approach (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547–555.) to kinetic model formulation that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation to unexplored conditions. Here, we extend and generalize the multi-scale modeling strategy to treat systems of considerable complexity – involving multi-well reactions, potentially missing reactions, non-statistical product branching ratios, and non-Boltzmann (i.e. non-thermal) reactant distributions. The methodology is demonstrated here for a subsystem of low-temperature propane oxidation, as a representative system for low-temperature fuel oxidation. A multi-scale model is assembled andmore » informed by a wide variety of targets that include ab initio calculations of molecular properties, rate constant measurements of isolated reactions, and complex systems measurements. Active model parameters are chosen to accommodate both “parametric” and “structural” uncertainties. Theoretical parameters (e.g. barrier heights) are included as active model parameters to account for parametric uncertainties in the theoretical treatment; experimental parameters (e.g. initial temperatures) are included to account for parametric uncertainties in the physical models of the experiments. RMG software is used to assess potential structural uncertainties due to missing reactions. Additionally, branching ratios among product channels are included as active model parameters to account for structural uncertainties related to difficulties in modeling sequences of multiple chemically activated steps. The approach is demonstrated here for interpreting time-resolved measurements of OH, HO2, n-propyl, i-propyl, propene, oxetane, and methyloxirane from photolysis-initiated low-temperature oxidation of propane at pressures from 4 to 60 Torr and temperatures from 300 to 700 K. In particular, the multi-scale

Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing

DTIC Science & Technology

2016-07-15

AFRL-AFOSR-JP-TR-2016-0068 Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing Hean-Teik...SUBTITLE Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER... electromagnetics to the application in microwave remote sensing as well as extension of modelling capability with computational flexibility to study