Satellite Communication Hardware Emulation System (SCHES)

NASA Technical Reports Server (NTRS)

Kaplan, Ted

1993-01-01

Satellite Communication Hardware Emulator System (SCHES) is a powerful simulator that emulates the hardware used in TDRSS links. SCHES is a true bit-by-bit simulator that models communications hardware accurately enough to be used as a verification mechanism for actual hardware tests on user spacecraft. As a credit to its modular design, SCHES is easily configurable to model any user satellite communication link, though some development may be required to tailor existing software to user specific hardware.

Biomolecular structure manipulation using tailored electromagnetic radiation: a proof of concept on a simplified model of the active site of bacterial DNA topoisomerase.

PubMed

Jarukanont, Daungruthai; Coimbra, João T S; Bauerhenne, Bernd; Fernandes, Pedro A; Patel, Shekhar; Ramos, Maria J; Garcia, Martin E

2014-10-21

We report on the viability of breaking selected bonds in biological systems using tailored electromagnetic radiation. We first demonstrate, by performing large-scale simulations, that pulsed electric fields cannot produce selective bond breaking. Then, we present a theoretical framework for describing selective energy concentration on particular bonds of biomolecules upon application of tailored electromagnetic radiation. The theory is based on the mapping of biomolecules to a set of coupled harmonic oscillators and on optimal control schemes to describe optimization of temporal shape, the phase and polarization of the external radiation. We have applied this theory to demonstrate the possibility of selective bond breaking in the active site of bacterial DNA topoisomerase. For this purpose, we have focused on a model that was built based on a case study. Results are given as a proof of concept.

Evaluation of Aeroelastically Tailored Small Wind Turbine Blades Final Project Report

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

Griffin, Dayton A.

2005-09-29

Evaluation of Aeroelastically Tailored Small Wind Turbine Blades Final Report Global Energy Concepts, LLC (GEC) has performed a conceptual design study concerning aeroelastic tailoring of small wind turbine blades. The primary objectives were to evaluate ways that blade/rotor geometry could be used to enable cost-of-energy reductions by enhancing energy capture while constraining or mitigating blade costs, system loads, and related component costs. This work builds on insights developed in ongoing adaptive-blade programs but with a focus on application to small turbine systems with isotropic blade material properties and with combined blade sweep and pre-bending/pre-curving to achieve the desired twist coupling.more » Specific goals of this project are to: (A) Evaluate and quantify the extent to which rotor geometry can be used to realize load-mitigating small wind turbine rotors. Primary aspects of the load mitigation are: (1) Improved overspeed safety affected by blades twisting toward stall in response to speed increases. (2) Reduced fatigue loading affected by blade twisting toward feather in response to turbulent gusts. (B) Illustrate trade-offs and design sensitivities for this concept. (C) Provide the technical basis for small wind turbine manufacturers to evaluate this concept and commercialize if the technology appears favorable. The SolidWorks code was used to rapidly develop solid models of blade with varying shapes and material properties. Finite element analyses (FEA) were performed using the COSMOS code modeling with tip-loads and centripetal accelerations. This tool set was used to investigate the potential for aeroelastic tailoring with combined planform sweep and pre-curve. An extensive matrix of design variables was investigated, including aerodynamic design, magnitude and shape of planform sweep, magnitude and shape of blade pre-curve, material stiffness, and rotor diameter. The FEA simulations resulted in substantial insights into the structural response of these blades. The trends were used to identify geometries and rotor configurations that showed the greatest promise for achieving beneficial aeroelastic response. The ADAMS code was used to perform complete aeroelastic simulations of selected rotor configurations; however, the results of these simulations were not satisfactory. This report documents the challenges encountered with the ADAMS simulations and presents recommendations for further development of this concept for aeroelastically tailored small wind turbine blades.« less

Modeling and simulation of a 2-DOF bidirectional electrothermal microactuator

NASA Astrophysics Data System (ADS)

Topaloglu, N.; Elbuken, C.; Nieva, P. M.; Yavuz, M.; Huissoon, J. P.

2008-03-01

In this paper we present the modeling and simulation of a 2 degree-of-freedom (DOF) bidirectional electrothermal actuator. The four arm microactuator was designed to move in both the horizontal and vertical axes. By tailoring the geometrical parameters of the design, the in-plane and out-of-plane motions were decoupled, resulting in enhanced mobility in both directions. The motion of the actuator was modeled analytically using an electro-thermo-mechanical analysis. To validate the analytical model, finite element simulations were performed using ANSYS. The microactuators were fabricated using PolyMUMPS process and experimental results show good agreement with both the analytical model and the simulations. We demonstrated that the 2-DOF bidirectional electrothermal actuator can achieve 3.7 μm in-plane and 13.3 μm out-of-plane deflections with an input voltage of 10 V.

Revised Simulation Model of the Control System, Displays, and Propulsion System for a ASTOVL Lift Fan Aircraft

NASA Technical Reports Server (NTRS)

Franklin, James A.

1997-01-01

This report describes revisions to a simulation model that was developed for use in piloted evaluations of takeoff, transition, hover, and landing characteristics of an advanced short takeoff and vertical landing lift fan fighter aircraft. These revisions have been made to the flight/propulsion control system, head-up display, and propulsion system to reflect recent flight and simulation experience with short takeoff and vertical landing operations. They include nonlinear inverse control laws in all axes (eliminating earlier versions with state rate feedback), throttle scaling laws for flightpath and thrust command, control selector commands apportioned based on relative effectiveness of the individual controls, lateral guidance algorithms that provide more flexibility for terminal area operations, and a simpler representation of the propulsion system. The model includes modes tailored to the phases of the aircraft's operation, with several response types which are coupled to the aircraft's aerodynamic and propulsion system effectors through a control selector tailored to the propulsion system. Head-up display modes for approach and hover are integrated with the corresponding control modes. Propulsion system components modeled include a remote lift fan and a lift-cruise engine. Their static performance and dynamic responses are represented by the model. A separate report describes the subsonic, power-off aerodynamics and jet induced aerodynamics in hover and forward flight, including ground effects.

Advanced Technology Training System on Motor-Operated Valves

NASA Technical Reports Server (NTRS)

Wiederholt, Bradley J.; Widjaja, T. Kiki; Yasutake, Joseph Y.; Isoda, Hachiro

1993-01-01

This paper describes how features from the field of Intelligent Tutoring Systems are applied to the Motor-Operated Valve (MOV) Advanced Technology Training System (ATTS). The MOV ATTS is a training system developed at Galaxy Scientific Corporation for the Central Research Institute of Electric Power Industry in Japan and the Electric Power Research Institute in the United States. The MOV ATTS combines traditional computer-based training approaches with system simulation, integrated expert systems, and student and expert modeling. The primary goal of the MOV ATTS is to reduce human errors that occur during MOV overhaul and repair. The MOV ATTS addresses this goal by providing basic operational information of the MOV, simulating MOV operation, providing troubleshooting practice of MOV failures, and tailoring this training to the needs of each individual student. The MOV ATTS integrates multiple expert models (functional and procedural) to provide advice and feedback to students. The integration also provides expert model validation support to developers. Student modeling is supported by two separate student models: one model registers and updates the student's current knowledge of basic MOV information, while another model logs the student's actions and errors during troubleshooting exercises. These two models are used to provide tailored feedback to the student during the MOV course.

Metal flow of a tailor-welded blank in deep drawing process

NASA Astrophysics Data System (ADS)

Yan, Qi; Guo, Ruiquan

2005-01-01

Tailor welded blanks were used in the automotive industry to consolidate parts, reduce weight, and increase safety. In recent years, this technology was developing rapidly in China. In Chinese car models, tailor welded blanks had been applied in a lot of automobile parts such as rail, door inner, bumper, floor panel, etc. Concerns on the properties of tailor welded blanks had become more and more important for automobile industry. A lot of research had shown that the strength of the welded seam was higher than that of the base metal, such that the weld failure in the aspect of strength was not a critical issue. However, formability of tailor welded blanks in the stamping process was complex. Among them, the metal flow of tailor welded blanks in the stamping process must be investigated thoroughly in order to reduce the scrap rate during the stamping process in automobile factories. In this paper, the behavior of metal flow for tailor welded blanks made by the laser welding process with two types of different thickness combinations were studied in the deep drawing process. Simulations and experiment verification of the movement of weld line for tailor welded blanks were discussed in detail. Results showed that the control on the movement of welded seam during stamping process by taking some measures in the aspect of blank holder was effective.

A New Aerodynamic Data Dispersion Method for Launch Vehicle Design

NASA Technical Reports Server (NTRS)

Pinier, Jeremy T.

2011-01-01

A novel method for implementing aerodynamic data dispersion analysis is herein introduced. A general mathematical approach combined with physical modeling tailored to the aerodynamic quantity of interest enables the generation of more realistically relevant dispersed data and, in turn, more reasonable flight simulation results. The method simultaneously allows for the aerodynamic quantities and their derivatives to be dispersed given a set of non-arbitrary constraints, which stresses the controls model in more ways than with the traditional bias up or down of the nominal data within the uncertainty bounds. The adoption and implementation of this new method within the NASA Ares I Crew Launch Vehicle Project has resulted in significant increases in predicted roll control authority, and lowered the induced risks for flight test operations. One direct impact on launch vehicles is a reduced size for auxiliary control systems, and the possibility of an increased payload. This technique has the potential of being applied to problems in multiple areas where nominal data together with uncertainties are used to produce simulations using Monte Carlo type random sampling methods. It is recommended that a tailored physics-based dispersion model be delivered with any aerodynamic product that includes nominal data and uncertainties, in order to make flight simulations more realistic and allow for leaner spacecraft designs.

Quasi-monoenergetic ion generation by hole-boring radiation pressure acceleration in inhomogeneous plasmas using tailored laser pulses

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

Weng, S. M., E-mail: weng-sm@ile.osaka-u.ac.jp; Murakami, M.; Azechi, H.

It is proposed that laser hole-boring at a steady speed in inhomogeneous overdense plasma can be realized by the use of temporally tailored intense laser pulses, producing high-fluence quasi-monoenergetic ion beams. A general temporal profile of such laser pulses is formulated for arbitrary plasma density distribution. As an example, for a precompressed deuterium-tritium fusion target with an exponentially increasing density profile, its matched laser profile for steady hole-boring is given theoretically and verified numerically by particle-in-cell simulations. Furthermore, we propose to achieve fast ignition by the in-situ hole-boring accelerated ions using a tailored laser pulse. Simulations show that the effectivemore » energy fluence, conversion efficiency, energy spread, and collimation of the resulting ion beam can be significantly improved as compared to those found with un-tailored laser profiles. For the fusion fuel with an areal density of 1.5 g cm{sup –2}, simulation indicates that it is promising to realize fast ion ignition by using a tailored driver pulse with energy about 65 kJ.« less

OISI dynamic end-to-end modeling tool

NASA Astrophysics Data System (ADS)

Kersten, Michael; Weidler, Alexander; Wilhelm, Rainer; Johann, Ulrich A.; Szerdahelyi, Laszlo

2000-07-01

The OISI Dynamic end-to-end modeling tool is tailored to end-to-end modeling and dynamic simulation of Earth- and space-based actively controlled optical instruments such as e.g. optical stellar interferometers. `End-to-end modeling' is meant to denote the feature that the overall model comprises besides optical sub-models also structural, sensor, actuator, controller and disturbance sub-models influencing the optical transmission, so that the system- level instrument performance due to disturbances and active optics can be simulated. This tool has been developed to support performance analysis and prediction as well as control loop design and fine-tuning for OISI, Germany's preparatory program for optical/infrared spaceborne interferometry initiated in 1994 by Dornier Satellitensysteme GmbH in Friedrichshafen.

A highly efficient 3D level-set grain growth algorithm tailored for ccNUMA architecture

NASA Astrophysics Data System (ADS)

Mießen, C.; Velinov, N.; Gottstein, G.; Barrales-Mora, L. A.

2017-12-01

A highly efficient simulation model for 2D and 3D grain growth was developed based on the level-set method. The model introduces modern computational concepts to achieve excellent performance on parallel computer architectures. Strong scalability was measured on cache-coherent non-uniform memory access (ccNUMA) architectures. To achieve this, the proposed approach considers the application of local level-set functions at the grain level. Ideal and non-ideal grain growth was simulated in 3D with the objective to study the evolution of statistical representative volume elements in polycrystals. In addition, microstructure evolution in an anisotropic magnetic material affected by an external magnetic field was simulated.

Thermodynamic forces in coarse-grained simulations

NASA Astrophysics Data System (ADS)

Noid, William

Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

Ensemble catchment hydrological modelling for climate change impact analysis

NASA Astrophysics Data System (ADS)

Vansteenkiste, Thomas; Ntegeka, Victor; Willems, Patrick

2014-05-01

It is vital to investigate how the hydrological model structure affects the climate change impact given that future changes not in the range for which the models were calibrated or validated are likely. Thus an ensemble modelling approach which involves a diversity of models with different structures such as spatial resolutions and process descriptions is crucial. The ensemble modelling approach was applied to a set of models: from the lumped conceptual models NAM, PDM and VHM, an intermediate detailed and distributed model WetSpa, to the highly detailed and fully distributed model MIKE-SHE. Explicit focus was given to the high and low flow extremes. All models were calibrated for sub flows and quick flows derived from rainfall and potential evapotranspiration (ETo) time series. In general, all models were able to produce reliable estimates of the flow regimes under the current climate for extreme peak and low flows. An intercomparison of the low and high flow changes under changed climatic conditions was made using climate scenarios tailored for extremes. Tailoring was important for two reasons. First, since the use of many scenarios was not feasible it was necessary to construct few scenarios that would reasonably represent the range of extreme impacts. Second, scenarios would be more informative as changes in high and low flows would be easily traced to changes of ETo and rainfall; the tailored scenarios are constructed using seasonal changes that are defined using different levels of magnitude (high, mean and low) for rainfall and ETo. After simulation of these climate scenarios in the five hydrological models, close agreement was found among the models. The different models predicted similar range of peak flow changes. For the low flows, however, the differences in the projected impact range by different hydrological models was larger, particularly for the drier scenarios. This suggests that the hydrological model structure is critical in low flow predictions, more than in high flow conditions. Hence, the mechanism of the slow flow component simulation requires further attention. It is concluded that a multi-model ensemble approach where different plausible model structures are applied, is extremely useful. It improves the reliability of climate change impact results and allows decision making to be based on uncertainty assessment that includes model structure related uncertainties. References: Ntegeka, V., Baguis, P., Roulin, E., Willems, P., 2014. Developing tailored climate change scenarios for hydrological impact assessments. Journal of Hydrology, 508C, 307-321 Vansteenkiste, Th., Tavakoli, M., Ntegeka, V., Willems, P., De Smedt, F., Batelaan, O., 2013. Climate change impact on river flows and catchment hydrology: a comparison of two spatially distributed models. Hydrological Processes, 27(25), 3649-3662. Vansteenkiste, Th., Tavakoli, M., Ntegeka, V., Van Steenbergen, N., De Smedt, F., Batelaan, O., Pereira, F., Willems, P., 2014. Intercomparison of five lumped and distributed models for catchment runoff and extreme flow simulation. Journal of Hydrology, in press. Vansteenkiste, Th., Tavakoli, M., Ntegeka, V., De Smedt, F., Batelaan, O., Pereira, F., Willems, P., 2014. Intercomparison of climate scenario impact predictions by a lumped and distributed model ensemble. Journal of Hydrology, in revision.

BSM2 Plant-Wide Model construction and comparative analysis with other methodologies for integrated modelling.

PubMed

Grau, P; Vanrolleghem, P; Ayesa, E

2007-01-01

In this paper, a new methodology for integrated modelling of the WWTP has been used for the construction of the Benchmark Simulation Model N degrees 2 (BSM2). The transformations-approach proposed in this methodology does not require the development of specific transformers to interface unit process models and allows the construction of tailored models for a particular WWTP guaranteeing the mass and charge continuity for the whole model. The BSM2 PWM constructed as case study, is evaluated by means of simulations under different scenarios and its validity in reproducing water and sludge lines in WWTP is demonstrated. Furthermore the advantages that this methodology presents compared to other approaches for integrated modelling are verified in terms of flexibility and coherence.

Tailoring drug release rates in hydrogel-based therapeutic delivery applications using graphene oxide

PubMed Central

Zhi, Z. L.; Craster, R. V.

2018-01-01

Graphene oxide (GO) is increasingly used for controlling mass diffusion in hydrogel-based drug delivery applications. On the macro-scale, the density of GO in the hydrogel is a critical parameter for modulating drug release. Here, we investigate the diffusion of a peptide drug through a network of GO membranes and GO-embedded hydrogels, modelled as porous matrices resembling both laminated and ‘house of cards’ structures. Our experiments use a therapeutic peptide and show a tunable nonlinear dependence of the peptide concentration upon time. We establish models using numerical simulations with a diffusion equation accounting for the photo-thermal degradation of fluorophores and an effective percolation model to simulate the experimental data. The modelling yields an interpretation of the control of drug diffusion through GO membranes, which is extended to the diffusion of the peptide in GO-embedded agarose hydrogels. Varying the density of micron-sized GO flakes allows for fine control of the drug diffusion. We further show that both GO density and size influence the drug release rate. The ability to tune the density of hydrogel-like GO membranes to control drug release rates has exciting implications to offer guidelines for tailoring drug release rates in hydrogel-based therapeutic delivery applications. PMID:29445040

Hierarchical Simulation of Hot Composite Structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Murthy, P. L. N.; Singhal, S. N.

1993-01-01

Computational procedures are described to simulate the thermal and mechanical behavior of high temperature metal matrix composites (HT-MMC) in the following three broad areas: (1) Behavior of HT-MMC's from micromechanics to laminate via Metal Matrix Composite Analyzer (METCAN), (2) tailoring of HT-MMC behavior for optimum specific performance via Metal Matrix Laminate Tailoring (MMLT), and (3) HT-MMC structural response for hot structural components via High Temperature Composite Analyzer (HITCAN). Representative results from each area are presented to illustrate the effectiveness of computational simulation procedures. The sample case results show that METCAN can be used to simulate material behavior such as strength, stress-strain response, and cyclic life in HTMMC's; MMLT can be used to tailor the fabrication process for optimum performance such as that for in-service load carrying capacity of HT-MMC's; and HITCAN can be used to evaluate static fracture and fatigue life of hot pressurized metal matrix composite rings.

Modeling and Design Analysis Methodology for Tailoring of Aircraft Structures with Composites

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.

2004-01-01

Composite materials provide design flexibility in that fiber placement and orientation can be specified and a variety of material forms and manufacturing processes are available. It is possible, therefore, to 'tailor' the structure to a high degree in order to meet specific design requirements in an optimum manner. Common industrial practices, however, have limited the choices designers make. One of the reasons for this is that there is a dearth of conceptual/preliminary design analysis tools specifically devoted to identifying structural concepts for composite airframe structures. Large scale finite element simulations are not suitable for such purposes. The present project has been devoted to creating modeling and design analysis methodology for use in the tailoring process of aircraft structures. Emphasis has been given to creating bend-twist elastic coupling in high aspect ratio wings or other lifting surfaces. The direction of our work was in concert with the overall NASA effort Twenty- First Century Aircraft Technology (TCAT). A multi-disciplinary team was assembled by Dr. Damodar Ambur to work on wing technology, which included our project.

The effect of tailor-made additives on crystal growth of methyl paraben: Experiments and modelling

NASA Astrophysics Data System (ADS)

Cai, Zhihui; Liu, Yong; Song, Yang; Guan, Guoqiang; Jiang, Yanbin

2017-03-01

In this study, methyl paraben (MP) was selected as the model component, and acetaminophen (APAP), p-methyl acetanilide (PMAA) and acetanilide (ACET), which share the similar molecular structure as MP, were selected as the three tailor-made additives to study the effect of tailor-made additives on the crystal growth of MP. HPLC results indicated that the MP crystals induced by the three additives contained MP only. Photographs of the single crystals prepared indicated that the morphology of the MP crystals was greatly changed by the additives, but PXRD and single crystal diffraction results illustrated that the MP crystals were the same polymorph only with different crystal habits, and no new crystal form was found compared with other references. To investigate the effect of the additives on the crystal growth, the interaction between additives and facets was discussed in detail using the DFT methods and MD simulations. The results showed that APAP, PMAA and ACET would be selectively adsorbed on the growth surfaces of the crystal facets, which induced the change in MP crystal habits.

Risk-Based Tailoring of the Verification, Validation, and Accreditation/Acceptance Processes (Adaptation fondee sur le risque, des processus de verification, de validation, et d’accreditation/d’acceptation)

DTIC Science & Technology

2012-04-01

Systems Concepts and Integration SET Sensors and Electronics Technology SISO Simulation Interoperability Standards Organization SIW Simulation...conjunction with 2006 Fall SIW 2006 September SISO Standards Activity Committee approved beginning IEEE balloting 2006 October IEEE Project...019 published 2008 June Edinborough, UK Held in conjunction with 2008 Euro- SIW 2008 September Laurel, MD, US Work on Composite Model 2008 December

Tailored Testing Theory and Practice: A Basic Model, Normal Ogive Submodels, and Tailored Testing Algorithms

DTIC Science & Technology

1983-08-01

ACCESSION NO «• TITLE (and Sublltle) TAILORED TESTING THEORY AND PRACTICE: A BASIC MODEL , NORMAL OGIVE SUBMODELS, AND TAILORED TESTING ALGORITHMS 7...single common-factor model , the author derives the two- and three-parametir normal ogfve il’^irTr^ functions as submodels. For both of these...PAOEfWiwi Dmia Bnfnd) NPRDC TR 83-32 AUGUST 1983 TAILORED TESTING THEORY AND PRACTICE: A BASIC MODEL , NORMAL OGIVE SUBMODELS, AND TAILORED TESTING

[Not Available].

PubMed

Pecevski, Dejan; Natschläger, Thomas; Schuch, Klaus

2009-01-01

The Parallel Circuit SIMulator (PCSIM) is a software package for simulation of neural circuits. It is primarily designed for distributed simulation of large scale networks of spiking point neurons. Although its computational core is written in C++, PCSIM's primary interface is implemented in the Python programming language, which is a powerful programming environment and allows the user to easily integrate the neural circuit simulator with data analysis and visualization tools to manage the full neural modeling life cycle. The main focus of this paper is to describe PCSIM's full integration into Python and the benefits thereof. In particular we will investigate how the automatically generated bidirectional interface and PCSIM's object-oriented modular framework enable the user to adopt a hybrid modeling approach: using and extending PCSIM's functionality either employing pure Python or C++ and thus combining the advantages of both worlds. Furthermore, we describe several supplementary PCSIM packages written in pure Python and tailored towards setting up and analyzing neural simulations.

P-8A Poseidon strategy for modeling & simulation verification validation & accreditation (VV&A)

NASA Astrophysics Data System (ADS)

Kropp, Derek L.

2009-05-01

One of the first challenges in addressing the need for Modeling & Simulation (M&S) Verification, Validation, & Accreditation (VV&A) is to develop an approach for applying structured and formalized VV&A processes. The P-8A Poseidon Multi-Mission Maritime Aircraft (MMA) Program Modeling and Simulation Accreditation Strategy documents the P-8A program's approach to VV&A. The P-8A strategy tailors a risk-based approach and leverages existing bodies of knowledge, such as the Defense Modeling and Simulation Office Recommended Practice Guide (DMSO RPG), to make the process practical and efficient. As the program progresses, the M&S team must continue to look for ways to streamline the process, add supplemental steps to enhance the process, and identify and overcome procedural, organizational, and cultural challenges. This paper includes some of the basics of the overall strategy, examples of specific approaches that have worked well, and examples of challenges that the M&S team has faced.

Molecular dynamics simulation studies of tailored nanostructured polymers

NASA Astrophysics Data System (ADS)

Liu, Lixin

With recent advancements in the synthesis and characterization of polymeric materials, scientists are able to create multi-scale novel polymers with various cases of chemical functionalities, diversified topologies, as well as cross-linking networks. Due to those remarkable achievements, there are a broad range of possible applications of smart polymers in catalysis, in environmental remediation, and especially in drug-delivery. Because of rising interest in developing therapeutic drug binding to specific treating target, polymer chemists are in particular interests in design and engineering the drug delivery materials to be not only bio-compatible, but also to be capable of self-assembly at various in-vivo physiological stimulus. Both experimental and theoretical work indicate that the thermodynamic properties relating to the hydrophobic effect play an important role in determining self-assembly process. At the same time, computational simulation and modeling are powerful instruments to contribute to microscopic thermodynamics' understanding toward self-assembly phenomenon. Along with statistical approaches, constructing empirical model based on simulation results would also help predict for further development of tailored nano-structured materials. My Research mainly focused on investigating physical and chemical characteristics of polymer materials through molecular dynamics simulation and probing the fundamental thermodynamic driving force of self-assembly behavior. We tried to surmount technological obstacles in computational chemistry and build an efficient scheme to identify the physical and chemical Feature of molecules, to reproduce underlying properties, to understand the origin of thermodynamic signatures, and to speed up current trial and error process in screening new materials.

Information Architecture for Interactive Archives at the Community Coordianted Modeling Center

NASA Astrophysics Data System (ADS)

De Zeeuw, D.; Wiegand, C.; Kuznetsova, M.; Mullinix, R.; Boblitt, J. M.

2017-12-01

The Community Coordinated Modeling Center (CCMC) is upgrading its meta-data system for model simulations to be compliant with the SPASE meta-data standard. This work is helping to enhance the SPASE standards for simulations to better describe the wide variety of models and their output. It will enable much more sophisticated and automated metrics and validation efforts at the CCMC, as well as much more robust searches for specific types of output. The new meta-data will also allow much more tailored run submissions as it will allow some code options to be selected for Run-On-Request models. We will also demonstrate data accessibility through an implementation of the Heliophysics Application Programmer's Interface (HAPI) protocol of data otherwise available throught the integrated space weather analysis system (iSWA).

Tailored Excitation for Multivariable Stability-Margin Measurement Applied to the X-31A Nonlinear Simulation

NASA Technical Reports Server (NTRS)

Bosworth, John T.; Burken, John J.

1997-01-01

Safety and productivity of the initial flight test phase of a new vehicle have been enhanced by developing the ability to measure the stability margins of the combined control system and vehicle in flight. One shortcoming of performing this analysis is the long duration of the excitation signal required to provide results over a wide frequency range. For flight regimes such as high angle of attack or hypersonic flight, the ability to maintain flight condition for this time duration is difficult. Significantly reducing the required duration of the excitation input is possible by tailoring the input to excite only the frequency range where the lowest stability margin is expected. For a multiple-input/multiple-output system, the inputs can be simultaneously applied to the control effectors by creating each excitation input with a unique set of frequency components. Chirp-Z transformation algorithms can be used to match the analysis of the results to the specific frequencies used in the excitation input. This report discusses the application of a tailored excitation input to a high-fidelity X-31A linear model and nonlinear simulation. Depending on the frequency range, the results indicate the potential to significantly reduce the time required for stability measurement.

Hierarchical nonlinear behavior of hot composite structures

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Chamis, C. C.; Singhal, S. N.

1993-01-01

Hierarchical computational procedures are described to simulate the multiple scale thermal/mechanical behavior of high temperature metal matrix composites (HT-MMC) in the following three broad areas: (1) behavior of HT-MMC's from micromechanics to laminate via METCAN (Metal Matrix Composite Analyzer), (2) tailoring of HT-MMC behavior for optimum specific performance via MMLT (Metal Matrix Laminate Tailoring), and (3) HT-MMC structural response for hot structural components via HITCAN (High Temperature Composite Analyzer). Representative results from each area are presented to illustrate the effectiveness of computational simulation procedures and accompanying computer codes. The sample case results show that METCAN can be used to simulate material behavior such as the entire creep span; MMLT can be used to concurrently tailor the fabrication process and the interphase layer for optimum performance such as minimum residual stresses; and HITCAN can be used to predict the structural behavior such as the deformed shape due to component fabrication. These codes constitute virtual portable desk-top test laboratories for characterizing HT-MMC laminates, tailoring the fabrication process, and qualifying structural components made from them.

Combining Simulation Tools for End-to-End Trajectory Optimization

NASA Technical Reports Server (NTRS)

Whitley, Ryan; Gutkowski, Jeffrey; Craig, Scott; Dawn, Tim; Williams, Jacobs; Stein, William B.; Litton, Daniel; Lugo, Rafael; Qu, Min

2015-01-01

Trajectory simulations with advanced optimization algorithms are invaluable tools in the process of designing spacecraft. Due to the need for complex models, simulations are often highly tailored to the needs of the particular program or mission. NASA's Orion and SLS programs are no exception. While independent analyses are valuable to assess individual spacecraft capabilities, a complete end-to-end trajectory from launch to splashdown maximizes potential performance and ensures a continuous solution. In order to obtain end-to-end capability, Orion's in-space tool (Copernicus) was made to interface directly with the SLS's ascent tool (POST2) and a new tool to optimize the full problem by operating both simulations simultaneously was born.

Scenario Development Process at the Vertical Motion Simulator

NASA Technical Reports Server (NTRS)

Reardon, Scott E.; Beard, Steven D.; Lewis, Emily

2017-01-01

There has been a significant effort within the simulation community to standardize many aspects of flight simulation. More recently, an effort has begun to develop a formal scenario definition language for aviation. A working group within the AIAA Modeling and Simulation Technical Committee has been created to develop a standard aviation scenario definition language, though much of the initial effort has been tailored to training simulators. Research and development (R&D) simulators, like the Vertical Motion Simulator (VMS), and training simulators have different missions and thus have different scenario requirements. The purpose of this paper is to highlight some of the unique tasks and scenario elements used at the VMS so they may be captured by scenario standardization efforts. The VMS most often performs handling qualities studies and transfer of training studies. Three representative handling qualities simulation studies and two transfer of training simulation studies are described in this paper. Unique scenario elements discussed in this paper included special out-the-window (OTW) targets and environmental conditions, motion system parameters, active inceptor parameters, and configurable vehicle math model parameters.

Variable selection in discrete survival models including heterogeneity.

PubMed

Groll, Andreas; Tutz, Gerhard

2017-04-01

Several variable selection procedures are available for continuous time-to-event data. However, if time is measured in a discrete way and therefore many ties occur models for continuous time are inadequate. We propose penalized likelihood methods that perform efficient variable selection in discrete survival modeling with explicit modeling of the heterogeneity in the population. The method is based on a combination of ridge and lasso type penalties that are tailored to the case of discrete survival. The performance is studied in simulation studies and an application to the birth of the first child.

Deconstructing three-dimensional (3D) structure of absorptive glass mat (AGM) separator to tailor pore dimensions and amplify electrolyte uptake

NASA Astrophysics Data System (ADS)

Rawal, Amit; Rao, P. V. Kameswara; Kumar, Vijay

2018-04-01

Absorptive glass mat (AGM) separator is a vital technical component in valve regulated lead acid (VRLA) batteries that can be tailored for a desired application. To selectively design and tailor the AGM separator, the intricate three-dimensional (3D) structure needs to be unraveled. Herein, a toolkit of 3D analytical models of pore size distribution and electrolyte uptake expressed via wicking characteristics of AGM separators under unconfined and confined states is presented. 3D data of fiber orientation distributions obtained previously through X-ray micro-computed tomography (microCT) analysis are used as key set of input parameters. The predictive ability of pore size distribution model is assessed through the commonly used experimental set-up that usually apply high level of compressive stresses. Further, the existing analytical model of wicking characteristics of AGM separators has been extended to account for 3D characteristics, and subsequently, compared with the experimental results. A good agreement between the theory and experiments pave the way to simulate the realistic charge-discharge modes of the battery by applying cyclic loading condition. A threshold criterion describing the invariant behavior of pore size and wicking characteristics in terms of maximum permissible limit of key structural parameters during charge-discharge mode of the battery has also been proposed.

Experimental and numerical investigation of a phase-only control mechanism in the linear intensity regime.

PubMed

Brühl, Elisabeth; Buckup, Tiago; Motzkus, Marcus

2018-06-07

Mechanisms and optimal experimental conditions in coherent control still intensely stimulate debates. In this work, a phase-only control mechanism in an open quantum system is investigated experimentally and numerically. Several parameterizations for femtosecond pulse shaping (combination of chirp and multipulses) are exploited in transient absorption of a prototype organic molecule to control population and vibrational coherence in ground and excited states. Experimental results are further numerically simulated and corroborated with a four-level density-matrix model, which reveals a phase-only control mechanism based on the interaction between the tailored phase of the excitation pulse and the induced transient absorption. In spite of performing experiment and numerical simulations in the linear regime of excitation, the control effect amplitude depends non-linearly on the excitation energy and is explained as a pump-dump control mechanism. No evidence of single-photon control is observed with the model. Moreover, our results also show that the control effect on the population and vibrational coherence is highly dependent on the spectral detuning of the excitation spectrum. Contrary to the popular belief in coherent control experiments, spectrally resonant tailored excitation will lead to the control of the excited state only for very specific conditions.

Tidal downscaling from the open ocean to the coast: a new approach applied to the Bay of Biscay

NASA Astrophysics Data System (ADS)

Toublanc, F.; Ayoub, N. K.; Lyard, F.; Marsaleix, P.; Allain, D. J.

2018-04-01

Downscaling physical processes from a large scale to a regional scale 3D model is a recurrent issue in coastal processes studies. The choice of boundary conditions will often greatly influence the solution within the 3D circulation model. In some regions, tides play a key role in coastal dynamics and must be accurately represented. The Bay of Biscay is one of these regions, with highly energetic tides influencing coastal circulation and river plume dynamics. In this study, three strategies are tested to force with barotropic tides a 3D circulation model with a variable horizontal resolution. The tidal forcings, as well as the tidal elevations and currents resulting from the 3D simulations, are compared to tidal harmonics extracted from satellite altimetry and tidal gauges, and tidal currents harmonics obtained from ADCP data. The results show a strong improvement of the M2 solution within the 3D model with a "tailored" tidal forcing generated on the same grid and bathymetry as the 3D configuration, compared to a global tidal atlas forcing. Tidal harmonics obtained from satellite altimetry data are particularly valuable to assess the performance of each simulation. Comparisons between sea surface height time series, a sea surface salinity database, and daily averaged 2D currents also show a better agreement with this tailored forcing.

Determination of tailored filter sets to create rayfiles including spatial and angular resolved spectral information.

PubMed

Rotscholl, Ingo; Trampert, Klaus; Krüger, Udo; Perner, Martin; Schmidt, Franz; Neumann, Cornelius

2015-11-16

To simulate and optimize optical designs regarding perceived color and homogeneity in commercial ray tracing software, realistic light source models are needed. Spectral rayfiles provide angular and spatial varying spectral information. We propose a spectral reconstruction method with a minimum of time consuming goniophotometric near field measurements with optical filters for the purpose of creating spectral rayfiles. Our discussion focuses on the selection of the ideal optical filter combination for any arbitrary spectrum out of a given filter set by considering measurement uncertainties with Monte Carlo simulations. We minimize the simulation time by a preselection of all filter combinations, which bases on factorial design.

Research on Intelligent Synthesis Environments

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Lobeck, William E.

2002-01-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

Research on Intelligent Synthesis Environments

NASA Astrophysics Data System (ADS)

Noor, Ahmed K.; Loftin, R. Bowen

2002-12-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

PCSIM: A Parallel Simulation Environment for Neural Circuits Fully Integrated with Python

PubMed Central

Pecevski, Dejan; Natschläger, Thomas; Schuch, Klaus

2008-01-01

The Parallel Circuit SIMulator (PCSIM) is a software package for simulation of neural circuits. It is primarily designed for distributed simulation of large scale networks of spiking point neurons. Although its computational core is written in C++, PCSIM's primary interface is implemented in the Python programming language, which is a powerful programming environment and allows the user to easily integrate the neural circuit simulator with data analysis and visualization tools to manage the full neural modeling life cycle. The main focus of this paper is to describe PCSIM's full integration into Python and the benefits thereof. In particular we will investigate how the automatically generated bidirectional interface and PCSIM's object-oriented modular framework enable the user to adopt a hybrid modeling approach: using and extending PCSIM's functionality either employing pure Python or C++ and thus combining the advantages of both worlds. Furthermore, we describe several supplementary PCSIM packages written in pure Python and tailored towards setting up and analyzing neural simulations. PMID:19543450

Scientific Benefits of Space Science Models Archiving at Community Coordinated Modeling Center

NASA Technical Reports Server (NTRS)

Kuznetsova, Maria M.; Berrios, David; Chulaki, Anna; Hesse, Michael; MacNeice, Peter J.; Maddox, Marlo M.; Pulkkinen, Antti; Rastaetter, Lutz; Taktakishvili, Aleksandre

2009-01-01

The Community Coordinated Modeling Center (CCMC) hosts a set of state-of-the-art space science models ranging from the solar atmosphere to the Earth's upper atmosphere. CCMC provides a web-based Run-on-Request system, by which the interested scientist can request simulations for a broad range of space science problems. To allow the models to be driven by data relevant to particular events CCMC developed a tool that automatically downloads data from data archives and transform them to required formats. CCMC also provides a tailored web-based visualization interface for the model output, as well as the capability to download the simulation output in portable format. CCMC offers a variety of visualization and output analysis tools to aid scientists in interpretation of simulation results. During eight years since the Run-on-request system became available the CCMC archived the results of almost 3000 runs that are covering significant space weather events and time intervals of interest identified by the community. The simulation results archived at CCMC also include a library of general purpose runs with modeled conditions that are used for education and research. Archiving results of simulations performed in support of several Modeling Challenges helps to evaluate the progress in space weather modeling over time. We will highlight the scientific benefits of CCMC space science model archive and discuss plans for further development of advanced methods to interact with simulation results.

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems.

PubMed

Niethammer, Christoph; Becker, Stefan; Bernreuther, Martin; Buchholz, Martin; Eckhardt, Wolfgang; Heinecke, Alexander; Werth, Stephan; Bungartz, Hans-Joachim; Glass, Colin W; Hasse, Hans; Vrabec, Jadran; Horsch, Martin

2014-10-14

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures and currently holds the world record for the largest molecular simulation with over four trillion particles. It enables the application of pair potentials to length and time scales that were previously out of scope for molecular dynamics simulation. With an efficient dynamic load balancing scheme, it delivers high scalability even for challenging heterogeneous configurations. Presently, multicenter rigid potential models based on Lennard-Jones sites, point charges, and higher-order polarities are supported. Due to its modular design, ls1 mardyn can be extended to new physical models, methods, and algorithms, allowing future users to tailor it to suit their respective needs. Possible applications include scenarios with complex geometries, such as fluids at interfaces, as well as nonequilibrium molecular dynamics simulation of heat and mass transfer.

HEAVY-DUTY GREENHOUSE GAS EMISSIONS MODEL ...

EPA Pesticide Factsheets

Class 2b-8 vocational truck manufacturers and Class 7/8 tractor manufacturers would be subject to vehicle-based fuel economy and emission standards that would use a truck simulation model to evaluate the impact of the truck tires and/or tractor cab design on vehicle compliance with any new standards. The EPA has created a model called “GHG Emissions Model (GEM)”, which is specifically tailored to predict truck GHG emissions. As the model is designed for the express purpose of vehicle compliance demonstration, it is less configurable than similar commercial products and its only outputs are GHG emissions and fuel consumption. This approach gives a simple and compact tool for vehicle compliance without the overhead and costs of a more sophisticated model. Evaluation of both fuel consumption and CO2 emissions from heavy-duty highway vehicles through a whole-vehicle operation simulation model.

Au-Ag-Cu nano-alloys: tailoring of permittivity

NASA Astrophysics Data System (ADS)

Hashimoto, Yoshikazu; Seniutinas, Gediminas; Balčytis, Armandas; Juodkazis, Saulius; Nishijima, Yoshiaki

2016-04-01

Precious metal alloys enables new possibilities to tailor materials for specific optical functions. Here we present a systematic study of the effects of a nanoscale alloying on the permittivity of Au-Ag-Cu metals at 38 different atomic mixing ratios. The permittivity was measured and analyzed numerically by applying the Drude model. X-ray diffraction (XRD) revealed the face centered cubic lattice of the alloys. Both, optical spectra and XRD results point towards an equivalent composition-dependent electron scattering behavior. Correlation between the fundamental structural parameters of alloys and the resulting optical properties is elucidated. Plasmonic properties of the Au-Ag-Cu alloy nanoparticles were investigated by numerical simulations. Guidelines for designing plasmonic response of nano- structures and their patterns are presented from the material science perspective.

Tailoring the excitation of fundamental flexural guide waves in coated bone by phase-delayed array: two-dimensional simulations.

PubMed

Kilappa, Vantte; Moilanen, Petro; Salmi, Ari; Haeggström, Edward; Zhao, Zuomin; Myllylä, Risto; Timonen, Jussi

2015-03-01

The fundamental flexural guided wave (FFGW) enables ultrasonic assessment of cortical bone thickness. In vivo, it is challenging to detect this mode, as its power ratio with respect to disturbing ultrasound is reduced by soft tissue covering the bone. A phase-delayed ultrasound source is proposed to tailor the FFGW excitation in order to improve its power ratio. This situation is analyzed by 2D finite-element simulations. The soft tissue coating (7-mm thick) was simulated as a fluid covering an elastic plate (bone, 2-6 mm thick). A six-element array of emitters on top of the coating was excited by 50-kHz tone bursts so that each emitter was appropriately delayed from the previous one. Response was recorded by an array of receivers on top of the coating, 20-50 mm away from the closest emitter. Simulations predicted that such tailored/phase-delayed excitations should improve the power ratio of FFGW by 23 ± 5 dB, independent of the number of emitters (N). On the other hand, the FFGW magnitude should increase by 5.8 ± 0.5 dB for each doubling of N. This suggests that mode tailoring based on phase-delayed excitation may play a key role in the development of an in vivo FFGW assessment.

High quantum efficiency photocathode simulation for the investigation of novel structured designs

DOE PAGES

MacPhee, A. G.; Nagel, S. R.; Bell, P. M.; ...

2014-09-02

A computer model in CST Studio Suite has been developed to evaluate several novel geometrically enhanced photocathode designs. This work was aimed at identifying a structure that would increase the total electron yield by a factor of two or greater in the 1–30 keV range. The modeling software was used to simulate the electric field and generate particle tracking for several potential structures. The final photocathode structure has been tailored to meet a set of detector performance requirements, namely, a spatial resolution of <40 μm and a temporal spread of 1–10 ps. As a result, we present the details ofmore » the geometrically enhanced photocathode model and resulting static field and electron emission characteristics.« less

Concurrent tailoring of fabrication process and interphase layer to reduce residual stresses in metal matrix composites

NASA Technical Reports Server (NTRS)

Saravanos, D. A.; Chamis, C. C.; Morel, M.

1991-01-01

A methodology is presented to reduce the residual matrix stresses in continuous fiber metal matrix composites (MMC) by optimizing the fabrication process and interphase layer characteristics. The response of the fabricated MMC was simulated based on nonlinear micromechanics. Application cases include fabrication tailoring, interphase tailoring, and concurrent fabrication-interphase optimization. Two composite systems, silicon carbide/titanium and graphite/copper, are considered. Results illustrate the merits of each approach, indicate that concurrent fabrication/interphase optimization produces significant reductions in the matrix residual stresses and demonstrate the strong coupling between fabrication and interphase tailoring.

The Promise and Challenge of eHealth Interventions.

ERIC Educational Resources Information Center

Atkinson, Nancy L.; Gold, Robert S.

2002-01-01

Discusses how health education researchers can use the Internet to both intervene in health behavior and evaluate the effects of interventions (eHealth), describing the potential of computer technology for behavior interventions via message tailoring, intervention tailoring, simulations, games, and online communities, and noting implementation…

The ELDER Project: educational model and three-year outcomes of a community-based geriatric education initiative.

PubMed

Lange, Jean W; Mager, Diana; Greiner, Philip A; Saracino, Katherine

2011-01-01

The purpose of the ELDER (Expanded Learning and Dedication to Elders in the Region) Project was to address the needs of underserved older adults by providing worksite education to individuals who provide nursing care to older adults in community health centers, home health agencies, and long-term care facilities. Four agencies located in a Health Professional Shortage and Medically Underserved Area participated. Project staff conducted separate focus groups with administrators and staff at each agency to determine educational needs and preferences. Curricula from the Hartford Institute, End-of-Life Nursing Education Consortium, and Geriatric Education Centers were adapted to design unique curricula for each agency and level of personnel (licensed nurse or unlicensed caregiver). Activities included focus group meetings to tailor content to the needs of each agency, on-site educational sessions, and identification of an agency champion to sustain the program after the funding ended. A case-based simulation-learning approach was used in the final year to validate application of knowledge and to facilitate teamwork and interprofessional communication. Over 100 nurses and nursing assistants and eight administrators and allied health professionals participated over the three-year period of the project. Retention over this period, independent evaluations, and simulations demonstrated participants' ability to integrate best practices into typical clinical scenarios and revealed improved communication among care providers. Tailored on-site education incorporating simulation was an effective model for translating gerontological knowledge into practice and improving the care of older adults in these multiple settings.

A Tensile Specimen of Tailor Rolled Blanks with Equal Probability in Yield and Its Mechanical Behavior Analysis

PubMed Central

Zhang, Sijia; Liu, Xianghua; Liu, Lizhong

2018-01-01

In this paper, the microstructure and mechanical properties that distribute regulation along the rolling direction of tailor rolled blanks (TRB) were investigated. A tensile specimen with equal probability in yield (EYS) was first designed considering variation both in thickness and in material strength. The uniaxial tension test was carried out with a digital image correlation method to analyze the mechanical behaviors. The results showed that the strain distribution of EYS was homogeneous. From the results, it can be known that a new design philosophy for a TRB tensile specimen is reasonable and EYS is suitable to characterize the mechanical behavior of TRB. The true stress-strain curves of metal in different cross sections of TRB were calculated. On the basis of the true stress-strain curves, a material model of TRB was constructed and then implemented into finite element simulations of TRB uniaxial tensile tests. The strain distribution of numerical and experimental results was similar and the error between the elongation of the specimen after fracture obtained by experiment and FE ranged from 9.51% to 13.06%. Therefore, the simulation results match well with the experimental results and the material model has high accuracy and as well as practicability. PMID:29710772

Au-Ag-Cu nano-alloys: tailoring of permittivity

PubMed Central

Hashimoto, Yoshikazu; Seniutinas, Gediminas; Balčytis, Armandas; Juodkazis, Saulius; Nishijima, Yoshiaki

2016-01-01

Precious metal alloys enables new possibilities to tailor materials for specific optical functions. Here we present a systematic study of the effects of a nanoscale alloying on the permittivity of Au-Ag-Cu metals at 38 different atomic mixing ratios. The permittivity was measured and analyzed numerically by applying the Drude model. X-ray diffraction (XRD) revealed the face centered cubic lattice of the alloys. Both, optical spectra and XRD results point towards an equivalent composition-dependent electron scattering behavior. Correlation between the fundamental structural parameters of alloys and the resulting optical properties is elucidated. Plasmonic properties of the Au-Ag-Cu alloy nanoparticles were investigated by numerical simulations. Guidelines for designing plasmonic response of nano- structures and their patterns are presented from the material science perspective. PMID:27118459

Range Process Simulation Tool

NASA Technical Reports Server (NTRS)

Phillips, Dave; Haas, William; Barth, Tim; Benjamin, Perakath; Graul, Michael; Bagatourova, Olga

2005-01-01

Range Process Simulation Tool (RPST) is a computer program that assists managers in rapidly predicting and quantitatively assessing the operational effects of proposed technological additions to, and/or upgrades of, complex facilities and engineering systems such as the Eastern Test Range. Originally designed for application to space transportation systems, RPST is also suitable for assessing effects of proposed changes in industrial facilities and large organizations. RPST follows a model-based approach that includes finite-capacity schedule analysis and discrete-event process simulation. A component-based, scalable, open architecture makes RPST easily and rapidly tailorable for diverse applications. Specific RPST functions include: (1) definition of analysis objectives and performance metrics; (2) selection of process templates from a processtemplate library; (3) configuration of process models for detailed simulation and schedule analysis; (4) design of operations- analysis experiments; (5) schedule and simulation-based process analysis; and (6) optimization of performance by use of genetic algorithms and simulated annealing. The main benefits afforded by RPST are provision of information that can be used to reduce costs of operation and maintenance, and the capability for affordable, accurate, and reliable prediction and exploration of the consequences of many alternative proposed decisions.

Simulation training in video-assisted urologic surgery.

PubMed

Hoznek, András; Salomon, Laurent; de la Taille, Alexandre; Yiou, René; Vordos, Dimitrios; Larre, Stéphane; Abbou, Clément-Claude

2006-03-01

The current system of surgical education is facing many challenges in terms of time efficiency, costs, and patient safety. Training using simulation is an emerging area, mostly based on the experience of other high-risk professions like aviation. The goal of simulation-based training in surgery is to develop not only technical but team skills. This learning environment is stress-free and safe, allows standardization and tailoring of training, and also objectively evaluate performances. The development of simulation training is straightforward in endourology, since these procedures are video-assisted and the low degree of freedom of the instruments is easily replicated. On the other hand, these interventions necessitate a long learning curve, training in the operative room is especially costly and risky. Many models are already in use or under development in all fields of video-assisted urologic surgery: ureteroscopy, percutaneous surgery, transurethral resection of the prostate, and laparoscopy. Although bench models are essential, simulation increasingly benefits from the achievements and development of computer technology. Still in its infancy, virtual reality simulation will certainly belong to tomorrow's teaching tools.

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.

2016-01-01

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

The role of simulation in the development of technical competence during surgical training: a literature review

PubMed Central

2013-01-01

Objectives To establish the current state of knowledge on the effect of surgical simulation on the development of technical competence during surgical training. Methods Using a defined search strategy, the medical and educational literature was searched to identify empirical research that uses simulation as an educational intervention with surgical trainees. Included studies were analysed according to guidelines adapted from a Best Evidence in Medical Education review. Results A total of 32 studies were analysed, across 5 main categories of surgical simulation technique - use of bench models and box trainers (9 studies); Virtual Reality (14 studies); human cadavers (4 studies); animal models (2 studies) and robotics (3 studies). An improvement in technical skill was seen within the simulated environment across all five categories. This improvement was seen to transfer to the real patient in the operating room in all categories except the use of animals. Conclusions Based on current evidence, surgical trainees should be confident in the effects of using simulation, and should have access to formal, structured simulation as part of their training. Surgical simulation should incorporate the use of bench models and box trainers, with the use of Virtual Reality where resources allow. Alternatives to cadaveric and animal models should be considered due to the ethical and moral issues surrounding their use, and due to their equivalency with other simulation techniques. However, any use of surgical simulation must be tailored to the individual needs of trainees, and should be accompanied by feedback from expert tutors.

Virtual Earth System Laboratory (VESL): Effective Visualization of Earth System Data and Process Simulations

NASA Astrophysics Data System (ADS)

Quinn, J. D.; Larour, E. Y.; Cheng, D. L. C.; Halkides, D. J.

2016-12-01

The Virtual Earth System Laboratory (VESL) is a Web-based tool, under development at the Jet Propulsion Laboratory and UC Irvine, for the visualization of Earth System data and process simulations. It contains features geared toward a range of applications, spanning research and outreach. It offers an intuitive user interface, in which model inputs are changed using sliders and other interactive components. Current capabilities include simulation of polar ice sheet responses to climate forcing, based on NASA's Ice Sheet System Model (ISSM). We believe that the visualization of data is most effective when tailored to the target audience, and that many of the best practices for modern Web design/development can be applied directly to the visualization of data: use of negative space, color schemes, typography, accessibility standards, tooltips, etc cetera. We present our prototype website, and invite input from potential users, including researchers, educators, and students.

Toward transient finite element simulation of thermal deformation of machine tools in real-time

NASA Astrophysics Data System (ADS)

Naumann, Andreas; Ruprecht, Daniel; Wensch, Joerg

2018-01-01

Finite element models without simplifying assumptions can accurately describe the spatial and temporal distribution of heat in machine tools as well as the resulting deformation. In principle, this allows to correct for displacements of the Tool Centre Point and enables high precision manufacturing. However, the computational cost of FE models and restriction to generic algorithms in commercial tools like ANSYS prevents their operational use since simulations have to run faster than real-time. For the case where heat diffusion is slow compared to machine movement, we introduce a tailored implicit-explicit multi-rate time stepping method of higher order based on spectral deferred corrections. Using the open-source FEM library DUNE, we show that fully coupled simulations of the temperature field are possible in real-time for a machine consisting of a stock sliding up and down on rails attached to a stand.

Thermophysical Property Models for Lunar Regolith

NASA Technical Reports Server (NTRS)

Schreiner, Samuel S.; Dominguez, Jesus A.; Sibille, Laurent; Hoffman, Jeffrey A.

2015-01-01

We present a set of models for a wide range of lunar regolith material properties. Data from the literature are t with regression models for the following regolith properties: composition, density, specific heat, thermal conductivity, electrical conductivity, optical absorption length, and latent heat of melting/fusion. These models contain both temperature and composition dependencies so that they can be tailored for a range of applications. These models can enable more consistent, informed analysis and design of lunar regolith processing hardware. Furthermore, these models can be utilized to further inform lunar geological simulations. In addition to regression models for each material property, the raw data is also presented to allow for further interpretation and fitting as necessary.

Capacitively coupled hydrogen plasmas sustained by tailored voltage waveforms: excitation dynamics and ion flux asymmetry

DOE PAGES

Bruneau, B.; Diomede, P.; Economou, D. J.; ...

2016-06-08

Parallel plate capacitively coupled plasmas in hydrogen at relatively high pressure (~1 Torr) are excited with tailored voltage waveforms containing up to five frequencies. Predictions of a hybrid model combining a particle-in-cell simulation with Monte Carlo collisions and a fluid model are compared to phase resolved optical emission spectroscopy measurements, yielding information on the dynamics of the excitation rate in these discharges. When the discharge is excited with amplitude asymmetric waveforms, the discharge becomes electrically asymmetric, with different ion energies at each of the two electrodes. Unexpectedly, large differences in themore » $$\\text{H}_{2}^{+}$$ fluxes to each of the two electrodes are caused by the different $$\\text{H}_{3}^{+}$$ energies. When the discharge is excited with slope asymmetric waveforms, only weak electrical asymmetry of the discharge is observed. In this case, electron power absorption due to fast sheath expansion at one electrode is balanced by electron power absorption at the opposite electrode due to a strong electric field reversal.« less

Tailoring plasmonic nanoparticles and fractal patterns

NASA Astrophysics Data System (ADS)

Rosa, Lorenzo; Juodkazis, Saulius

2011-12-01

We studied new three-dimensional tailoring of nano-particles by ion-beam and electron-beam lithographies, aiming for features and nano-gaps down to 10 nm size. Electron-beam patterning is demonstrated for 2D fabrication in combination with plasmonic metal deposition and lift-off, with full control of spectral features of plasmonic nano-particles and patterns on dielectric substrates. We present wide-angle bow-tie rounded nano-antennas whose plasmonic resonances achieve strong field enhancement at engineered wavelength range, and show how the addition of fractal patterns defined by standard electron beam lithography achieve light field enhancement from visible to far-IR spectral range and scalable up towards THz band. Field enhancement is evaluated by FDTD modeling on full-3D simulation domains using complex material models, showing the modeling method capabilities and the effect of staircase approximations on field enhancement and resonance conditions, especially at metal corners, where a minimum rounding radius of 2 nm is resolved and a five-fold reduction of spurious ringing at sharp corners is obtained by the use of conformal meshing.

Current Challenges in the First Principle Quantitative Modelling of the Lower Hybrid Current Drive in Tokamaks

NASA Astrophysics Data System (ADS)

Peysson, Y.; Bonoli, P. T.; Chen, J.; Garofalo, A.; Hillairet, J.; Li, M.; Qian, J.; Shiraiwa, S.; Decker, J.; Ding, B. J.; Ekedahl, A.; Goniche, M.; Zhai, X.

2017-10-01

The Lower Hybrid (LH) wave is widely used in existing tokamaks for tailoring current density profile or extending pulse duration to steady-state regimes. Its high efficiency makes it particularly attractive for a fusion reactor, leading to consider it for this purpose in ITER tokamak. Nevertheless, if basics of the LH wave in tokamak plasma are well known, quantitative modeling of experimental observations based on first principles remains a highly challenging exercise, despite considerable numerical efforts achieved so far. In this context, a rigorous methodology must be carried out in the simulations to identify the minimum number of physical mechanisms that must be considered to reproduce experimental shot to shot observations and also scalings (density, power spectrum). Based on recent simulations carried out for EAST, Alcator C-Mod and Tore Supra tokamaks, the state of the art in LH modeling is reviewed. The capability of fast electron bremsstrahlung, internal inductance li and LH driven current at zero loop voltage to constrain all together LH simulations is discussed, as well as the needs of further improvements (diagnostics, codes, LH model), for robust interpretative and predictive simulations.

Wave propagation modeling in composites reinforced by randomly oriented fibers

NASA Astrophysics Data System (ADS)

Kudela, Pawel; Radzienski, Maciej; Ostachowicz, Wieslaw

2018-02-01

A new method for prediction of elastic constants in randomly oriented fiber composites is proposed. It is based on mechanics of composites, the rule of mixtures and total mass balance tailored to the spectral element mesh composed of 3D brick elements. Selected elastic properties predicted by the proposed method are compared with values obtained by another theoretical method. The proposed method is applied for simulation of Lamb waves in glass-epoxy composite plate reinforced by randomly oriented fibers. Full wavefield measurements conducted by the scanning laser Doppler vibrometer are in good agreement with simulations performed by using the time domain spectral element method.

Adaptive Annealed Importance Sampling for Multimodal Posterior Exploration and Model Selection with Application to Extrasolar Planet Detection

NASA Astrophysics Data System (ADS)

Liu, Bin

2014-07-01

We describe an algorithm that can adaptively provide mixture summaries of multimodal posterior distributions. The parameter space of the involved posteriors ranges in size from a few dimensions to dozens of dimensions. This work was motivated by an astrophysical problem called extrasolar planet (exoplanet) detection, wherein the computation of stochastic integrals that are required for Bayesian model comparison is challenging. The difficulty comes from the highly nonlinear models that lead to multimodal posterior distributions. We resort to importance sampling (IS) to estimate the integrals, and thus translate the problem to be how to find a parametric approximation of the posterior. To capture the multimodal structure in the posterior, we initialize a mixture proposal distribution and then tailor its parameters elaborately to make it resemble the posterior to the greatest extent possible. We use the effective sample size (ESS) calculated based on the IS draws to measure the degree of approximation. The bigger the ESS is, the better the proposal resembles the posterior. A difficulty within this tailoring operation lies in the adjustment of the number of mixing components in the mixture proposal. Brute force methods just preset it as a large constant, which leads to an increase in the required computational resources. We provide an iterative delete/merge/add process, which works in tandem with an expectation-maximization step to tailor such a number online. The efficiency of our proposed method is tested via both simulation studies and real exoplanet data analysis.

LBM-EP: Lattice-Boltzmann method for fast cardiac electrophysiology simulation from 3D images.

PubMed

Rapaka, S; Mansi, T; Georgescu, B; Pop, M; Wright, G A; Kamen, A; Comaniciu, Dorin

2012-01-01

Current treatments of heart rhythm troubles require careful planning and guidance for optimal outcomes. Computational models of cardiac electrophysiology are being proposed for therapy planning but current approaches are either too simplified or too computationally intensive for patient-specific simulations in clinical practice. This paper presents a novel approach, LBM-EP, to solve any type of mono-domain cardiac electrophysiology models at near real-time that is especially tailored for patient-specific simulations. The domain is discretized on a Cartesian grid with a level-set representation of patient's heart geometry, previously estimated from images automatically. The cell model is calculated node-wise, while the transmembrane potential is diffused using Lattice-Boltzmann method within the domain defined by the level-set. Experiments on synthetic cases, on a data set from CESC'10 and on one patient with myocardium scar showed that LBM-EP provides results comparable to an FEM implementation, while being 10 - 45 times faster. Fast, accurate, scalable and requiring no specific meshing, LBM-EP paves the way to efficient and detailed models of cardiac electrophysiology for therapy planning.

Simulation of diffuse-charge capacitance in electric double layer capacitors

NASA Astrophysics Data System (ADS)

Sun, Ning; Gersappe, Dilip

2017-01-01

We use a Lattice Boltzmann Model (LBM) in order to simulate diffuse-charge dynamics in Electric Double Layer Capacitors (EDLCs). Simulations are carried out for both the charge and the discharge processes on 2D systems of complex random electrode geometries (pure random, random spheres and random fibers). The steric effect of concentrated solutions is considered by using a Modified Poisson-Nernst-Planck (MPNP) equations and compared with regular Poisson-Nernst-Planck (PNP) systems. The effects of electrode microstructures (electrode density, electrode filler morphology, filler size, etc.) on the net charge distribution and charge/discharge time are studied in detail. The influence of applied potential during discharging process is also discussed. Our studies show how electrode morphology can be used to tailor the properties of supercapacitors.

DYNAMICO, an atmospheric dynamical core for high-performance climate modeling

NASA Astrophysics Data System (ADS)

Dubos, Thomas; Meurdesoif, Yann; Spiga, Aymeric; Millour, Ehouarn; Fita, Lluis; Hourdin, Frédéric; Kageyama, Masa; Traore, Abdoul-Khadre; Guerlet, Sandrine; Polcher, Jan

2017-04-01

Institut Pierre Simon Laplace has developed a very scalable atmospheric dynamical core, DYNAMICO, based on energy-conserving finite-difference/finite volume numerics on a quasi-uniform icosahedral-hexagonal mesh. Scalability is achieved by combining hybrid MPI/OpenMP parallelism to asynchronous I/O. This dynamical core has been coupled to radiative transfer physics tailored to the atmosphere of Saturn, allowing unprecedented simulations of the climate of this giant planet. For terrestrial climate studies DYNAMICO is being integrated into the IPSL Earth System Model IPSL-CM. Preliminary aquaplanet and AMIP-style simulations yield reasonable results when compared to outputs from IPSL-CM5. The observed performance suggests that an order of magnitude may be gained with respect to IPSL-CM CMIP5 simulations either on the duration of simulations or on their resolution. Longer simulations would be of interest for the study of paleoclimate, while higher resolution could improve certain aspects of the modeled climate such as extreme events, as will be explored in the HighResMIP project. Following IPSL's strategic vision of building a unified global-regional modelling system, a fully-compressible, non-hydrostatic prototype of DYNAMICO has been developed, enabling future convection-resolving simulations. Work supported by ANR project "HEAT", grant number CE23_2014_HEAT Dubos, T., Dubey, S., Tort, M., Mittal, R., Meurdesoif, Y., and Hourdin, F.: DYNAMICO-1.0, an icosahedral hydrostatic dynamical core designed for consistency and versatility, Geosci. Model Dev., 8, 3131-3150, doi:10.5194/gmd-8-3131-2015, 2015.

Deriving user-informed climate information from climate model ensemble results

NASA Astrophysics Data System (ADS)

Huebener, Heike; Hoffmann, Peter; Keuler, Klaus; Pfeifer, Susanne; Ramthun, Hans; Spekat, Arne; Steger, Christian; Warrach-Sagi, Kirsten

2017-07-01

Communication between providers and users of climate model simulation results still needs to be improved. In the German regional climate modeling project ReKliEs-De a midterm user workshop was conducted to allow the intended users of the project results to assess the preliminary results and to streamline the final project results to their needs. The user feedback highlighted, in particular, the still considerable gap between climate research output and user-tailored input for climate impact research. Two major requests from the user community addressed the selection of sub-ensembles and some condensed, easy to understand information on the strengths and weaknesses of the climate models involved in the project.

Evaluation of a technique to generate artificially thickened boundary layers in supersonic and hypersonic flows

NASA Technical Reports Server (NTRS)

Porro, A. R.; Hingst, W. R.; Davis, D. O.; Blair, A. B., Jr.

1991-01-01

The feasibility of using a contoured honeycomb model to generate a thick boundary layer in high-speed, compressible flow was investigated. The contour of the honeycomb was tailored to selectively remove momentum in a minimum of streamwise distance to create an artificially thickened turbulent boundary layer. Three wind tunnel experiments were conducted to verify the concept. Results indicate that this technique is a viable concept, especially for high-speed inlet testing applications. In addition, the compactness of the honeycomb boundary layer simulator allows relatively easy integration into existing wind tunnel model hardware.

Numerical study on tailoring the shock sensitivity of TATB-based explosives using mesostructural features

NASA Astrophysics Data System (ADS)

Springer, H. Keo

2017-06-01

Advanced manufacturing techniques offer control of explosive mesostructures necessary to tailor its shock sensitivity. However, structure-property relationships are not well established for explosives so there is little material design guidance for these techniques. The objective of this numerical study is to demonstrate how TATB-based explosives can be sensitized to shocks using mesostructural features. For this study, we use LX-17 (92.5%wt TATB, 7.5%wt Kel-F 800) as the prototypical TATB-based explosive. We employ features with different geometries and materials. HMX-based explosive features, high shock impedance features, and pores are used to sensitive the LX-17. Simulations are performed in the multi-physics hydrocode, ALE3D. A reactive flow model is used to simulate the shock initiation response of the explosives. Our metric for shock sensitivity in this study is run distance to detonation as a function of applied pressure. These numerical studies are important because they guide the design of novel energetic materials. This work was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-724986.

Analytical modeling of conformal mantle cloaks for cylindrical objects using sub-wavelength printed and slotted arrays

NASA Astrophysics Data System (ADS)

Padooru, Yashwanth R.; Yakovlev, Alexander B.; Chen, Pai-Yen; Alù, Andrea

2012-08-01

Following the idea of "cloaking by a surface" [A. Alù, Phys. Rev. B 80, 245115 (2009); P. Y. Chen and A. Alù, Phys. Rev. B 84, 205110 (2011)], we present a rigorous analytical model applicable to mantle cloaking of cylindrical objects using 1D and 2D sub-wavelength conformal frequency selective surface (FSS) elements. The model is based on Lorenz-Mie scattering theory which utilizes the two-sided impedance boundary conditions at the interface of the sub-wavelength elements. The FSS arrays considered in this work are composed of 1D horizontal and vertical metallic strips and 2D printed (patches, Jerusalem crosses, and cross dipoles) and slotted structures (meshes, slot-Jerusalem crosses, and slot-cross dipoles). It is shown that the analytical grid-impedance expressions derived for the planar arrays of sub-wavelength elements may be successfully used to model and tailor the surface reactance of cylindrical conformal mantle cloaks. By properly tailoring the surface reactance of the cloak, the total scattering from the cylinder can be significantly reduced, thus rendering the object invisible over the range of frequencies of interest (i.e., at microwaves and far-infrared). The results obtained using our analytical model for mantle cloaks are validated against full-wave numerical simulations.

Automated parameterization of intermolecular pair potentials using global optimization techniques

NASA Astrophysics Data System (ADS)

Krämer, Andreas; Hülsmann, Marco; Köddermann, Thorsten; Reith, Dirk

2014-12-01

In this work, different global optimization techniques are assessed for the automated development of molecular force fields, as used in molecular dynamics and Monte Carlo simulations. The quest of finding suitable force field parameters is treated as a mathematical minimization problem. Intricate problem characteristics such as extremely costly and even abortive simulations, noisy simulation results, and especially multiple local minima naturally lead to the use of sophisticated global optimization algorithms. Five diverse algorithms (pure random search, recursive random search, CMA-ES, differential evolution, and taboo search) are compared to our own tailor-made solution named CoSMoS. CoSMoS is an automated workflow. It models the parameters' influence on the simulation observables to detect a globally optimal set of parameters. It is shown how and why this approach is superior to other algorithms. Applied to suitable test functions and simulations for phosgene, CoSMoS effectively reduces the number of required simulations and real time for the optimization task.

Efficient scatter model for simulation of ultrasound images from computed tomography data

NASA Astrophysics Data System (ADS)

D'Amato, J. P.; Lo Vercio, L.; Rubi, P.; Fernandez Vera, E.; Barbuzza, R.; Del Fresno, M.; Larrabide, I.

2015-12-01

Background and motivation: Real-time ultrasound simulation refers to the process of computationally creating fully synthetic ultrasound images instantly. Due to the high value of specialized low cost training for healthcare professionals, there is a growing interest in the use of this technology and the development of high fidelity systems that simulate the acquisitions of echographic images. The objective is to create an efficient and reproducible simulator that can run either on notebooks or desktops using low cost devices. Materials and methods: We present an interactive ultrasound simulator based on CT data. This simulator is based on ray-casting and provides real-time interaction capabilities. The simulation of scattering that is coherent with the transducer position in real time is also introduced. Such noise is produced using a simplified model of multiplicative noise and convolution with point spread functions (PSF) tailored for this purpose. Results: The computational efficiency of scattering maps generation was revised with an improved performance. This allowed a more efficient simulation of coherent scattering in the synthetic echographic images while providing highly realistic result. We describe some quality and performance metrics to validate these results, where a performance of up to 55fps was achieved. Conclusion: The proposed technique for real-time scattering modeling provides realistic yet computationally efficient scatter distributions. The error between the original image and the simulated scattering image was compared for the proposed method and the state-of-the-art, showing negligible differences in its distribution.

Using impairment and cognitions to predict walking in osteoarthritis: A series of n-of-1 studies with an individually tailored, data-driven intervention.

PubMed

O'Brien, Nicola; Philpott-Morgan, Siôn; Dixon, Diane

2016-02-01

First, this study compares the ability of an integrated model of activity and activity limitations, the International Classification of Functioning, Disability and Health (ICF), and the Theory of Planned Behaviour (TPB) to predict walking within individuals with osteoarthritis. Second, the effectiveness of a walking intervention in these individuals is determined. A series of n-of-1 studies with an AB intervention design was used. Diary methods were used to study four community-dwelling individuals with lower-limb osteoarthritis. Data on impairment symptoms (pain, pain on movement, and joint stiffness), cognitions (intention, self-efficacy, and perceived controllability), and walking (step count) were collected twice daily for 12 weeks. At 6 weeks, an individually tailored, data-driven walking intervention using action planning or a control cognition manipulation was delivered. Simulation modelling analysis examined cross-correlations and differences in baseline and intervention phase means. Post-hoc mediation analyses examined theoretical relationships and multiple regression analyses compared theoretical models. Cognitions, intention in particular, were better and more consistent within individual predictors of walking than impairment. The walking intervention did not increase walking in any of the three participants receiving it. The integrated model and the TPB, which recognize a predictive role for cognitions, were significant predictors of walking variance in all participants, whilst the biomedical ICF model was only predictive for one participant. Despite the lack of evidence for an individually tailored walking intervention, predictive data suggest that interventions for people with osteoarthritis that address cognitions are likely to be more effective than those that address impairment only. Further within-individual investigation, including testing mediational relationships, is warranted. What is already known on this subject? N-of-1 methods have been used to study within-individual predictors of walking in healthy and chronic pain populations An integrated biomedical and behavioural model of activity and activity limitations recognizes the roles of impairment and psychology (cognitions) Interventions modifying cognitions can increase physical activity in people with mobility limitations What does this study add? N-of-1 methods are suitable to study within-individual predictors of walking and interventions in osteoarthritis An integrated and a psychological model are better predictors of walking in osteoarthritis than a biomedical model There was no support for an individually tailored, data-driven walking intervention. © 2015 The British Psychological Society.

Reconstruction of Orion Engineering Development Unit (EDU) Parachute Inflation Loads

NASA Technical Reports Server (NTRS)

Ray, Eric S.

2013-01-01

The process of reconstructing inflation loads of Capsule Parachute Assembly System (CPAS) has been updated as the program transitioned to testing Engineering Development Unit (EDU) hardware. The equations used to reduce the test data have been re-derived based on the same physical assumptions made by simulations. Due to instrumentation challenges, individual parachute loads are determined from complementary accelerometer and load cell measurements. Cluster inflations are now simulated by modeling each parachute individually to better represent different inflation times and non-synchronous disreefing. The reconstruction procedure is tailored to either infinite mass or finite mass events based on measurable characteristics from the test data. Inflation parameters are determined from an automated optimization routine to reduce subjectivity. Infinite mass inflation parameters have been re-defined to avoid unrealistic interactions in Monte Carlo simulations. Sample cases demonstrate how best-fit inflation parameters are used to generate simulated drag areas and loads which favorably agree with test data.

On time discretizations for the simulation of the batch settling-compression process in one dimension.

PubMed

Bürger, Raimund; Diehl, Stefan; Mejías, Camilo

2016-01-01

The main purpose of the recently introduced Bürger-Diehl simulation model for secondary settling tanks was to resolve spatial discretization problems when both hindered settling and the phenomena of compression and dispersion are included. Straightforward time integration unfortunately means long computational times. The next step in the development is to introduce and investigate time-integration methods for more efficient simulations, but where other aspects such as implementation complexity and robustness are equally considered. This is done for batch settling simulations. The key findings are partly a new time-discretization method and partly its comparison with other specially tailored and standard methods. Several advantages and disadvantages for each method are given. One conclusion is that the new linearly implicit method is easier to implement than another one (semi-implicit method), but less efficient based on two types of batch sedimentation tests.

Modeling of CMOS compatible ring resonator switch with intermediate vanadium oxide as the switching element

NASA Astrophysics Data System (ADS)

Singh, Mandeep; Datta, Arnab

2018-05-01

In this paper, silicon based dual ring resonator with hybrid plasmonic bus waveguides (Cu-SiO2-Si-SiO2-Cu) is investigated for achieving switching in the telecommunication C-band (λ = 1.54-1.553µm). The switch element uses vanadium oxide (VO2) as the switching medium when inserted between the rings in order to tailor transmission from one ring to the other through heating induced phase transition. In this manner, the proposed switch element uses one vanadium oxide medium instead of refractive index tailoring of the whole ring as in the prior reported works and achieves switching response. From two-dimensional finite element analysis we have found that, the proposed switch can achieve maximum extinction ratio of 2.72 dB at λ = 1.5434µm, exclusively by tailoring VO2 phase. Furthermore, impact of aperture width, and gap (separation between the bus waveguide and rings) are investigated to gain insight on the improvement of extinction ratio. From our numerical simulations, we find that free spectral range (FSR) and figure of merit (Q) for OFF and ON states are (173.36 nm, 92.63), and (173.58 nm, 65.39), respectively.

Xyce parallel electronic simulator users guide, version 6.1

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

Keiter, Eric R; Mei, Ting; Russo, Thomas V.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas; Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers; A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to developmore » new types of analysis without requiring the implementation of analysis-specific device models; Device models that are specifically tailored to meet Sandia's needs, including some radiationaware devices (for Sandia users only); and Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase-a message passing parallel implementation-which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.« less

Xyce parallel electronic simulator users' guide, Version 6.0.1.

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

Keiter, Eric R; Mei, Ting; Russo, Thomas V.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to developmore » new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandias needs, including some radiationaware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase a message passing parallel implementation which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.« less

Xyce parallel electronic simulator users guide, version 6.0.

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

Keiter, Eric R; Mei, Ting; Russo, Thomas V.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to developmore » new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandias needs, including some radiationaware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase a message passing parallel implementation which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.« less

Managing human error in aviation.

PubMed

Helmreich, R L

1997-05-01

Crew resource management (CRM) programs were developed to address team and leadership aspects of piloting modern airplanes. The goal is to reduce errors through team work. Human factors research and social, cognitive, and organizational psychology are used to develop programs tailored for individual airlines. Flight crews study accident case histories, group dynamics, and human error. Simulators provide pilots with the opportunity to solve complex flight problems. CRM in the simulator is called line-oriented flight training (LOFT). In automated cockpits CRM promotes the idea of automation as a crew member. Cultural aspects of aviation include professional, business, and national culture. The aviation CRM model has been adapted for training surgeons and operating room staff in human factors.

Simulations of Precipitate Microstructure Evolution during Heat Treatment

NASA Astrophysics Data System (ADS)

Wu, Kaisheng; Sterner, Gustaf; Chen, Qing; Jou, Herng-Jeng; Jeppsson, Johan; Bratberg, Johan; Engström, Anders; Mason, Paul

Precipitation, a major solid state phase transformation during heat treatment processes, has for more than one century been intensively employed to improve the strength and toughness of various high performance alloys. Recently, sophisticated precipitation reaction models, in assistance with well-developed CALPHAD databases, provide an efficient and cost-effective way to tailor precipitate microstructures that maximize the strengthening effect via the optimization of alloy chemistries and heat treatment schedules. In this presentation, we focus on simulating precipitate microstructure evolution in Nickel-base superalloys under arbitrary heat treatment conditions. The newly-developed TC-PRISMA program has been used for these simulations, with models refined especially for non-isothermal conditions. The effect of different cooling profiles on the formation of multimodal microstructures has been thoroughly examined in order to understand the underlying thermodynamics and kinetics. Meanwhile, validations against several experimental results have been carried out. Practical issues that are critical to the accuracy and applicability of the current simulations, such as modifications that overcome mean-field approximations, compatibility between CALPHAD databases, selection of key parameters (particularly interfacial energy and nucleation site densities), etc., are also addressed.

Patient-Centered Appointment Scheduling Using Agent-Based Simulation

PubMed Central

Turkcan, Ayten; Toscos, Tammy; Doebbeling, Brad N.

2014-01-01

Enhanced access and continuity are key components of patient-centered care. Existing studies show that several interventions such as providing same day appointments, walk-in services, after-hours care, and group appointments, have been used to redesign the healthcare systems for improved access to primary care. However, an intervention focusing on a single component of care delivery (i.e. improving access to acute care) might have a negative impact other components of the system (i.e. reduced continuity of care for chronic patients). Therefore, primary care clinics should consider implementing multiple interventions tailored for their patient population needs. We collected rapid ethnography and observations to better understand clinic workflow and key constraints. We then developed an agent-based simulation model that includes all access modalities (appointments, walk-ins, and after-hours access), incorporate resources and key constraints and determine the best appointment scheduling method that improves access and continuity of care. This paper demonstrates the value of simulation models to test a variety of alternative strategies to improve access to care through scheduling. PMID:25954423

Nonlinear model predictive control of a wave energy converter based on differential flatness parameterisation

NASA Astrophysics Data System (ADS)

Li, Guang

2017-01-01

This paper presents a fast constrained optimization approach, which is tailored for nonlinear model predictive control of wave energy converters (WEC). The advantage of this approach relies on its exploitation of the differential flatness of the WEC model. This can reduce the dimension of the resulting nonlinear programming problem (NLP) derived from the continuous constrained optimal control of WEC using pseudospectral method. The alleviation of computational burden using this approach helps to promote an economic implementation of nonlinear model predictive control strategy for WEC control problems. The method is applicable to nonlinear WEC models, nonconvex objective functions and nonlinear constraints, which are commonly encountered in WEC control problems. Numerical simulations demonstrate the efficacy of this approach.

Dynamic modeling and motion simulation for a winged hybrid-driven underwater glider

NASA Astrophysics Data System (ADS)

Wang, Shu-Xin; Sun, Xiu-Jun; Wang, Yan-Hui; Wu, Jian-Guo; Wang, Xiao-Ming

2011-03-01

PETREL, a winged hybrid-driven underwater glider is a novel and practical marine survey platform which combines the features of legacy underwater glider and conventional AUV (autonomous underwater vehicle). It can be treated as a multi-rigid-body system with a floating base and a particular hydrodynamic profile. In this paper, theorems on linear and angular momentum are used to establish the dynamic equations of motion of each rigid body and the effect of translational and rotational motion of internal masses on the attitude control are taken into consideration. In addition, due to the unique external shape with fixed wings and deflectable rudders and the dual-drive operation in thrust and glide modes, the approaches of building dynamic model of conventional AUV and hydrodynamic model of submarine are introduced, and the tailored dynamic equations of the hybrid glider are formulated. Moreover, the behaviors of motion in glide and thrust operation are analyzed based on the simulation and the feasibility of the dynamic model is validated by data from lake field trials.

Ranges of Applicability for the Continuum-beam Model in the Constitutive Analysis of Carbon Nanotubes: Nanotubes or Nano-beams?

NASA Technical Reports Server (NTRS)

Harik, Vasyl Michael; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

Ranges of validity for the continuum-beam model, the length-scale effects and continuum assumptions are analyzed in the framework of scaling analysis of NT structure. Two coupled criteria for the applicability of the continuum model are presented. Scaling analysis of NT buckling and geometric parameters (e.g., diameter and length) is carried out to determine the key non-dimensional parameters that control the buckling strains and modes of NT buckling. A model applicability map, which represents two classes of NTs, is constructed in the space of non-dimensional parameters. In an analogy with continuum mechanics, a mechanical law of geometric similitude is presented for two classes of beam-like NTs having different geometries. Expressions for the critical buckling loads and strains are tailored for the distinct groups of NTs and compared with the data provided by the molecular dynamics simulations. Implications for molecular dynamics simulations and the NT-based scanning probes are discussed.

ADAPTIVE ANNEALED IMPORTANCE SAMPLING FOR MULTIMODAL POSTERIOR EXPLORATION AND MODEL SELECTION WITH APPLICATION TO EXTRASOLAR PLANET DETECTION

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

Liu, Bin, E-mail: bins@ieee.org

2014-07-01

We describe an algorithm that can adaptively provide mixture summaries of multimodal posterior distributions. The parameter space of the involved posteriors ranges in size from a few dimensions to dozens of dimensions. This work was motivated by an astrophysical problem called extrasolar planet (exoplanet) detection, wherein the computation of stochastic integrals that are required for Bayesian model comparison is challenging. The difficulty comes from the highly nonlinear models that lead to multimodal posterior distributions. We resort to importance sampling (IS) to estimate the integrals, and thus translate the problem to be how to find a parametric approximation of the posterior.more » To capture the multimodal structure in the posterior, we initialize a mixture proposal distribution and then tailor its parameters elaborately to make it resemble the posterior to the greatest extent possible. We use the effective sample size (ESS) calculated based on the IS draws to measure the degree of approximation. The bigger the ESS is, the better the proposal resembles the posterior. A difficulty within this tailoring operation lies in the adjustment of the number of mixing components in the mixture proposal. Brute force methods just preset it as a large constant, which leads to an increase in the required computational resources. We provide an iterative delete/merge/add process, which works in tandem with an expectation-maximization step to tailor such a number online. The efficiency of our proposed method is tested via both simulation studies and real exoplanet data analysis.« less

A model of tailoring effects: A randomized controlled trial examining the mechanisms of tailoring in a web-based STD screening intervention.

PubMed

Lustria, Mia Liza A; Cortese, Juliann; Gerend, Mary A; Schmitt, Karla; Kung, Ying Mai; McLaughlin, Casey

2016-11-01

This study explores the mechanisms of tailoring within the context of RU@Risk a brief Web-based intervention designed to promote sexually transmitted disease (STD) testing among young adults. This is one of a few studies to empirically examine theorized message processing mechanisms of tailoring and persuasion outcomes in a single model. Sexually active college students (N = 1065) completed a pretest, were randomly assigned to explore a tailored or nontailored website, completed a posttest, and were offered the opportunity to order a free at-home STD test kit. As intervention effects were hypothesized to work via increases in perceived risk, change in perceived risk from pretest to posttest by condition was examined. Hypothesized mechanisms of tailoring (perceived personal relevance, attention, and elaboration) were examined using structural equation modeling (SEM). All analyses controlled for demographic variables and sexual history. As predicted, perceived risk of STDs increased from pretest to posttest, but only in the tailored condition. Results revealed that exposure to the tailored (vs. nontailored) website increased perceived personal relevance, attention to, and elaboration of the message. These effects in turn were associated with greater perceived risk of STDs and intentions to get tested. Additionally, participants in the tailored condition were more likely to order a test kit. Findings provide insight into the mechanisms of tailoring with important implications for optimizing message design. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Computer-generated tailored feedback letters for smoking cessation: theoretical and empirical variability of tailoring.

PubMed

Schumann, Anja; John, Ulrich; Ulbricht, Sabina; Rüge, Jeannette; Bischof, Gallus; Meyer, Christian

2008-11-01

This study examines tailored feedback letters of a smoking cessation intervention that is conceptually based on the transtheoretical model, from a content-based perspective. Data of 2 population-based intervention studies, both randomized controlled trials, with total N=1044 were used. The procedure of the intervention, the tailoring principle for the feedback letters, and the content of the intervention materials are described in detail. Theoretical and empirical frequencies of unique feedback letters are presented. The intervention system was able to generate a total of 1040 unique letters with normative feedback only, and almost half a million unique letters with normative and ipsative feedback. Almost every single smoker in contemplation, preparation, action, and maintenance had an empirically unique combination of tailoring variables and received a unique letter. In contrast, many smokers in precontemplation shared a combination of tailoring variables and received identical letters. The transtheoretical model provides an enormous theoretical and empirical variability of tailoring. However, tailoring for a major subgroup of smokers, i.e. those who do not intend to quit, needs improvement. Conceptual ideas for additional tailoring variables are discussed.

Effects of simulator motion and visual characteristics on rotorcraft handling qualities evaluations

NASA Technical Reports Server (NTRS)

Mitchell, David G.; Hart, Daniel C.

1993-01-01

The pilot's perceptions of aircraft handling qualities are influenced by a combination of the aircraft dynamics, the task, and the environment under which the evaluation is performed. When the evaluation is performed in a groundbased simulator, the characteristics of the simulation facility also come into play. Two studies were conducted on NASA Ames Research Center's Vertical Motion Simulator to determine the effects of simulator characteristics on perceived handling qualities. Most evaluations were conducted with a baseline set of rotorcraft dynamics, using a simple transfer-function model of an uncoupled helicopter, under different conditions of visual time delays and motion command washout filters. Differences in pilot opinion were found as the visual and motion parameters were changed, reflecting a change in the pilots' perceptions of handling qualities, rather than changes in the aircraft model itself. The results indicate a need for tailoring the motion washout dynamics to suit the task. Visual-delay data are inconclusive but suggest that it may be better to allow some time delay in the visual path to minimize the mismatch between visual and motion, rather than eliminate the visual delay entirely through lead compensation.

Using simulation pedagogy to enhance teamwork and communication in the care of older adults: the ELDER project.

PubMed

Mager, Diana R; Lange, Jean W; Greiner, Philip A; Saracino, Katherine H

2012-08-01

The Expanded Learning and Dedication to Elders in the Region (ELDER) project addressed the needs of under-served older adults by educating health care providers in home health and long-term care facilities. Four agencies in a health professional shortage/medically underserved area participated. Focus groups were held to determine agency-specific educational needs. Curricula from the John A. Hartford Foundation were adapted to design unique curricula for each agency and level of personnel during the first 2 years. The focus of this report is the case-based simulation learning approach used in year 3 to validate application of knowledge and facilitate teamwork and interprofessional communication. Three simulation sessions on varying topics were conducted at each site. Postsimulation surveys and qualitative interviews with hired evaluators showed that participants found simulations helpful to their practice. Tailored on-site education incorporating mid-fidelity simulation was an effective model for translating gerontological knowledge into practice and encouraging communication and teamwork in these settings. Copyright 2012, SLACK Incorporated.

The systems biology simulation core algorithm

PubMed Central

2013-01-01

Background With the increasing availability of high dimensional time course data for metabolites, genes, and fluxes, the mathematical description of dynamical systems has become an essential aspect of research in systems biology. Models are often encoded in formats such as SBML, whose structure is very complex and difficult to evaluate due to many special cases. Results This article describes an efficient algorithm to solve SBML models that are interpreted in terms of ordinary differential equations. We begin our consideration with a formal representation of the mathematical form of the models and explain all parts of the algorithm in detail, including several preprocessing steps. We provide a flexible reference implementation as part of the Systems Biology Simulation Core Library, a community-driven project providing a large collection of numerical solvers and a sophisticated interface hierarchy for the definition of custom differential equation systems. To demonstrate the capabilities of the new algorithm, it has been tested with the entire SBML Test Suite and all models of BioModels Database. Conclusions The formal description of the mathematics behind the SBML format facilitates the implementation of the algorithm within specifically tailored programs. The reference implementation can be used as a simulation backend for Java™-based programs. Source code, binaries, and documentation can be freely obtained under the terms of the LGPL version 3 from http://simulation-core.sourceforge.net. Feature requests, bug reports, contributions, or any further discussion can be directed to the mailing list simulation-core-development@lists.sourceforge.net. PMID:23826941

Force and Moment Approach for Achievable Dynamics Using Nonlinear Dynamic Inversion

NASA Technical Reports Server (NTRS)

Ostroff, Aaron J.; Bacon, Barton J.

1999-01-01

This paper describes a general form of nonlinear dynamic inversion control for use in a generic nonlinear simulation to evaluate candidate augmented aircraft dynamics. The implementation is specifically tailored to the task of quickly assessing an aircraft's control power requirements and defining the achievable dynamic set. The achievable set is evaluated while undergoing complex mission maneuvers, and perfect tracking will be accomplished when the desired dynamics are achievable. Variables are extracted directly from the simulation model each iteration, so robustness is not an issue. Included in this paper is a description of the implementation of the forces and moments from simulation variables, the calculation of control effectiveness coefficients, methods for implementing different types of aerodynamic and thrust vectoring controls, adjustments for control effector failures, and the allocation approach used. A few examples illustrate the perfect tracking results obtained.

Tailor-made heart simulation predicts the effect of cardiac resynchronization therapy in a canine model of heart failure.

PubMed

Panthee, Nirmal; Okada, Jun-ichi; Washio, Takumi; Mochizuki, Youhei; Suzuki, Ryohei; Koyama, Hidekazu; Ono, Minoru; Hisada, Toshiaki; Sugiura, Seiryo

2016-07-01

Despite extensive studies on clinical indices for the selection of patient candidates for cardiac resynchronization therapy (CRT), approximately 30% of selected patients do not respond to this therapy. Herein, we examined whether CRT simulations based on individualized realistic three-dimensional heart models can predict the therapeutic effect of CRT in a canine model of heart failure with left bundle branch block. In four canine models of failing heart with dyssynchrony, individualized three-dimensional heart models reproducing the electromechanical activity of each animal were created based on the computer tomographic images. CRT simulations were performed for 25 patterns of three ventricular pacing lead positions. Lead positions producing the best and the worst therapeutic effects were selected in each model. The validity of predictions was tested in acute experiments in which hearts were paced from the sites identified by simulations. We found significant correlations between the experimentally observed improvement in ejection fraction (EF) and the predicted improvements in ejection fraction (P<0.01) or the maximum value of the derivative of left ventricular pressure (P<0.01). The optimal lead positions produced better outcomes compared with the worst positioning in all dogs studied, although there were significant variations in responses. Variations in ventricular wall thickness among the dogs may have contributed to these responses. Thus CRT simulations using the individualized three-dimensional heart models can predict acute hemodynamic improvement, and help determine the optimal positions of the pacing lead. Copyright © 2016 Elsevier B.V. All rights reserved.

Generation and Evaluation of User Tailored Responses in Multimodal Dialogue

ERIC Educational Resources Information Center

Walker, M. A.; Whittaker, S. J.; Stent, A.; Maloor, P.; Moore, J.; Johnston, M.; Vasireddy, G.

2004-01-01

When people engage in conversation, they tailor their utterances to their conversational partners, whether these partners are other humans or computational systems. This tailoring, or adaptation to the partner takes place in all facets of human language use, and is based on a "mental model" or a "user model" of the conversational partner. Such…

OpenIPSL: Open-Instance Power System Library - Update 1.5 to "iTesla Power Systems Library (iPSL): A Modelica library for phasor time-domain simulations"

NASA Astrophysics Data System (ADS)

Baudette, Maxime; Castro, Marcelo; Rabuzin, Tin; Lavenius, Jan; Bogodorova, Tetiana; Vanfretti, Luigi

2018-01-01

This paper presents the latest improvements implemented in the Open-Instance Power System Library (OpenIPSL). The OpenIPSL is a fork from the original iTesla Power Systems Library (iPSL) by some of the original developers of the iPSL. This fork's motivation comes from the will of the authors to further develop the library with additional features tailored to research and teaching purposes. The enhancements include improvements to existing models, the addition of a new package of three phase models, and the implementation of automated tests through continuous integration.

Efficiency of ocular UV protection by clear lenses

PubMed Central

Rifai, Katharina; Hornauer, Matthias; Buechinger, Ramona; Schoen, Roland; Barraza-Bernal, Maria; Habtegiorgis, Selam; Glasenapp, Carsten; Wahl, Siegfried; Mappes, Timo

2018-01-01

Ocular UV doses accumulate all-day, not only during periods of direct sun exposure. The UV protection efficiency of three clear lenses was evaluated experimentally, validated by simulation, and compared to non-UV protection: a first spectacle lens with a tailored UV absorber, a second spectacle lens, minimizing UV back reflections, as well as a third spectacle lens, combining both. A tailored UV-absorber efficiently reduced overall UV irradiance to 7 %, whereas reduction of back-reflections still left UV irradiance at 42 %. Thus, clear lenses with a tailored UV absorber efficiently protect the eye from UV, supplementing sun glasses wear to an all-day protection scenario. PMID:29675331

Efficiency of ocular UV protection by clear lenses.

PubMed

Rifai, Katharina; Hornauer, Matthias; Buechinger, Ramona; Schoen, Roland; Barraza-Bernal, Maria; Habtegiorgis, Selam; Glasenapp, Carsten; Wahl, Siegfried; Mappes, Timo

2018-04-01

Ocular UV doses accumulate all-day, not only during periods of direct sun exposure. The UV protection efficiency of three clear lenses was evaluated experimentally, validated by simulation, and compared to non-UV protection: a first spectacle lens with a tailored UV absorber, a second spectacle lens, minimizing UV back reflections, as well as a third spectacle lens, combining both. A tailored UV-absorber efficiently reduced overall UV irradiance to 7 %, whereas reduction of back-reflections still left UV irradiance at 42 %. Thus, clear lenses with a tailored UV absorber efficiently protect the eye from UV, supplementing sun glasses wear to an all-day protection scenario.

Hybrid stochastic and deterministic simulations of calcium blips.

PubMed

Rüdiger, S; Shuai, J W; Huisinga, W; Nagaiah, C; Warnecke, G; Parker, I; Falcke, M

2007-09-15

Intracellular calcium release is a prime example for the role of stochastic effects in cellular systems. Recent models consist of deterministic reaction-diffusion equations coupled to stochastic transitions of calcium channels. The resulting dynamics is of multiple time and spatial scales, which complicates far-reaching computer simulations. In this article, we introduce a novel hybrid scheme that is especially tailored to accurately trace events with essential stochastic variations, while deterministic concentration variables are efficiently and accurately traced at the same time. We use finite elements to efficiently resolve the extreme spatial gradients of concentration variables close to a channel. We describe the algorithmic approach and we demonstrate its efficiency compared to conventional methods. Our single-channel model matches experimental data and results in intriguing dynamics if calcium is used as charge carrier. Random openings of the channel accumulate in bursts of calcium blips that may be central for the understanding of cellular calcium dynamics.

Rich media streaming for just-in-time training of first responders

NASA Astrophysics Data System (ADS)

Bandera, Cesar; Marsico, Michael

2005-05-01

The diversity of first responders and of asymmetric threats precludes the effectiveness of any single training syllabus. Just-in-time training (JITT) addresses this variability, but requires training content to be quickly tailored to the subject (the threat), the learner (the responder), and the infrastructure (the C2 chain from DHS to the responder"s equipment). We present a distributed system for personalized just-in-time training of first responders. The authoring and delivery of interactive rich media and simulations, and the integration of JITT with C2 centers, are demonstrated. Live and archived video, imagery, 2-D and 3-D models, and simulations are autonomously (1) aggregated from object-oriented databases into SCORM-compliant objects, (2) tailored to the individual learner"s training history, preferences, connectivity and computing platform (from workstations to wireless PDAs), (3) conveyed as secure and reliable MPEG-4 compliant streams with data rights management, and (4) rendered as interactive high-definition rich media that promotes knowledge retention and the refinement of learner skills without the need of special hardware. We review the object-oriented implications of SCORM and the higher level profiles of the MPEG-4 standard, and show how JITT can be integrated into - and improve the ROI of - existing training infrastructures, including COTS content authoring tools, LMS/CMS, man-in-the-loop simulators, and legacy content. Lastly, we compare the audiovisual quality of different streaming platforms under varying connectivity conditions.

Virtual design and optimization studies for industrial silicon microphones applying tailored system-level modeling

NASA Astrophysics Data System (ADS)

Kuenzig, Thomas; Dehé, Alfons; Krumbein, Ulrich; Schrag, Gabriele

2018-05-01

Maxing out the technological limits in order to satisfy the customers’ demands and obtain the best performance of micro-devices and-systems is a challenge of today’s manufacturers. Dedicated system simulation is key to investigate the potential of device and system concepts in order to identify the best design w.r.t. the given requirements. We present a tailored, physics-based system-level modeling approach combining lumped with distributed models that provides detailed insight into the device and system operation at low computational expense. The resulting transparent, scalable (i.e. reusable) and modularly composed models explicitly contain the physical dependency on all relevant parameters, thus being well suited for dedicated investigation and optimization of MEMS devices and systems. This is demonstrated for an industrial capacitive silicon microphone. The performance of such microphones is determined by distributed effects like viscous damping and inhomogeneous capacitance variation across the membrane as well as by system-level phenomena like package-induced acoustic effects and the impact of the electronic circuitry for biasing and read-out. The here presented model covers all relevant figures of merit and, thus, enables to evaluate the optimization potential of silicon microphones towards high fidelity applications. This work was carried out at the Technical University of Munich, Chair for Physics of Electrotechnology. Thomas Kuenzig is now with Infineon Technologies AG, Neubiberg.

Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program

NASA Astrophysics Data System (ADS)

Feldt, Jonas; Miranda, Sebastião; Pratas, Frederico; Roma, Nuno; Tomás, Pedro; Mata, Ricardo A.

2017-12-01

In this work, we present an optimized perturbative quantum mechanics/molecular mechanics (QM/MM) method for use in Metropolis Monte Carlo simulations. The model adopted is particularly tailored for the simulation of molecular systems in solution but can be readily extended to other applications, such as catalysis in enzymatic environments. The electrostatic coupling between the QM and MM systems is simplified by applying perturbation theory to estimate the energy changes caused by a movement in the MM system. This approximation, together with the effective use of GPU acceleration, leads to a negligible added computational cost for the sampling of the environment. Benchmark calculations are carried out to evaluate the impact of the approximations applied and the overall computational performance.

Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program.

PubMed

Feldt, Jonas; Miranda, Sebastião; Pratas, Frederico; Roma, Nuno; Tomás, Pedro; Mata, Ricardo A

2017-12-28

In this work, we present an optimized perturbative quantum mechanics/molecular mechanics (QM/MM) method for use in Metropolis Monte Carlo simulations. The model adopted is particularly tailored for the simulation of molecular systems in solution but can be readily extended to other applications, such as catalysis in enzymatic environments. The electrostatic coupling between the QM and MM systems is simplified by applying perturbation theory to estimate the energy changes caused by a movement in the MM system. This approximation, together with the effective use of GPU acceleration, leads to a negligible added computational cost for the sampling of the environment. Benchmark calculations are carried out to evaluate the impact of the approximations applied and the overall computational performance.

Online model-based diagnosis to support autonomous operation of an advanced life support system.

PubMed

Biswas, Gautam; Manders, Eric-Jan; Ramirez, John; Mahadevan, Nagabhusan; Abdelwahed, Sherif

2004-01-01

This article describes methods for online model-based diagnosis of subsystems of the advanced life support system (ALS). The diagnosis methodology is tailored to detect, isolate, and identify faults in components of the system quickly so that fault-adaptive control techniques can be applied to maintain system operation without interruption. We describe the components of our hybrid modeling scheme and the diagnosis methodology, and then demonstrate the effectiveness of this methodology by building a detailed model of the reverse osmosis (RO) system of the water recovery system (WRS) of the ALS. This model is validated with real data collected from an experimental testbed at NASA JSC. A number of diagnosis experiments run on simulated faulty data are presented and the results are discussed.

Online model-based diagnosis to support autonomous operation of an advanced life support system

NASA Technical Reports Server (NTRS)

Biswas, Gautam; Manders, Eric-Jan; Ramirez, John; Mahadevan, Nagabhusan; Abdelwahed, Sherif

2004-01-01

This article describes methods for online model-based diagnosis of subsystems of the advanced life support system (ALS). The diagnosis methodology is tailored to detect, isolate, and identify faults in components of the system quickly so that fault-adaptive control techniques can be applied to maintain system operation without interruption. We describe the components of our hybrid modeling scheme and the diagnosis methodology, and then demonstrate the effectiveness of this methodology by building a detailed model of the reverse osmosis (RO) system of the water recovery system (WRS) of the ALS. This model is validated with real data collected from an experimental testbed at NASA JSC. A number of diagnosis experiments run on simulated faulty data are presented and the results are discussed.

Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

PubMed

Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

2015-10-21

The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

NOx Emissions from a Rotating Detonation-wave Engine

NASA Astrophysics Data System (ADS)

Kailasanath, Kazhikathra; Schwer, Douglas

2016-11-01

Rotating detonation-wave engines (RDE) are a form of continuous detonation-wave engines. They potentially provide further gains in performance than an intermittent or pulsed detonation-wave engine (PDE). The overall flow field in an idealized RDE, primarily consisting of two concentric cylinders, has been discussed in previous meetings. Because of the high pressures involved and the lack of adequate reaction mechanisms for this regime, previous simulations have typically used simplified chemistry models. However, understanding the exhaust species concentrations in propulsion devices is important for both performance considerations as well as estimating pollutant emissions. Progress towards addressing this need will be discussed in this talk. In this approach, an induction parameter model is used for simulating the detonation but a more detailed finite-chemistry model including NOx chemistry is used in the expansion flow region, where the pressures are lower and the uncertainties in the chemistry model are greatly reduced. Results show that overall radical concentrations in the exhaust flow are substantially lower than from earlier predictions with simplified models. Results to date show that NOx emissions are not a problem for the RDE due to the short residence times and the nature of the flow field. Furthermore, simulations show that the amount of NOx can be further reduced by tailoring the fluid dynamics within the RDE.

Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li XFePO 4 electrode particles

DOE PAGES

Heo, Tae Wook; Chen, Long-Qing; Wood, Brandon C.

2015-04-08

In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li XFePO 4 electrode particle for Li-ion batteries as a modelmore » system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.« less

RotCFD Analysis of the AH-56 Cheyenne Hub Drag

NASA Technical Reports Server (NTRS)

Solis, Eduardo; Bass, Tal A.; Keith, Matthew D.; Oppenheim, Rebecca T.; Runyon, Bryan T.; Veras-Alba, Belen

2016-01-01

In 2016, the U.S. Army Aviation Development Directorate (ADD) conducted tests in the U.S. Army 7- by 10- Foot Wind Tunnel at NASA Ames Research Center of a nonrotating 2/5th-scale AH-56 rotor hub. The objective of the tests was to determine how removing the mechanical control gyro affected the drag. Data for the lift, drag, and pitching moment were recorded for the 4-bladed rotor hub in various hardware configurations, azimuth angles, and angles of attack. Numerical simulations of a selection of the configurations and orientations were then performed, and the results were compared with the test data. To generate the simulation results, the hardware configurations were modeled using Creo and Rhinoceros 5, three-dimensional surface modeling computer-aided design (CAD) programs. The CAD model was imported into Rotorcraft Computational Fluid Dynamics (RotCFD), a computational fluid dynamics (CFD) tool used for analyzing rotor flow fields. RotCFD simulation results were compared with the experimental results of three hardware configurations at two azimuth angles, two angles of attack, and with and without wind tunnel walls. The results help validate RotCFD as a tool for analyzing low-drag rotor hub designs for advanced high-speed rotorcraft concepts. Future work will involve simulating additional hub geometries to reduce drag or tailor to other desired performance levels.

Tailored Codes for Small Quantum Memories

NASA Astrophysics Data System (ADS)

Robertson, Alan; Granade, Christopher; Bartlett, Stephen D.; Flammia, Steven T.

2017-12-01

We demonstrate that small quantum memories, realized via quantum error correction in multiqubit devices, can benefit substantially by choosing a quantum code that is tailored to the relevant error model of the system. For a biased noise model, with independent bit and phase flips occurring at different rates, we show that a single code greatly outperforms the well-studied Steane code across the full range of parameters of the noise model, including for unbiased noise. In fact, this tailored code performs almost optimally when compared with 10 000 randomly selected stabilizer codes of comparable experimental complexity. Tailored codes can even outperform the Steane code with realistic experimental noise, and without any increase in the experimental complexity, as we demonstrate by comparison in the observed error model in a recent seven-qubit trapped ion experiment.

Xyce Parallel Electronic Simulator Users' Guide Version 6.8

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

Keiter, Eric R.; Aadithya, Karthik Venkatraman; Mei, Ting

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been de- signed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel com- puting platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows onemore » to develop new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandia's needs, including some radiation- aware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase$-$ a message passing parallel implementation $-$ which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.« less

Improving Prompt Temperature Feedback by Stimulating Doppler Broadening in Heterogeneous Composite Nuclear Fuel Forms

NASA Astrophysics Data System (ADS)

Morrison, Christopher

Nuclear fuels with similar aggregate material composition, but with different millimeter and micrometer spatial configurations of the component materials can have very different safety and performance characteristics. This research focuses on modeling and attempting to engineer heterogeneous combinations of nuclear fuels to improve negative prompt temperature feedback in response to reactivity insertion accidents. Improvements in negative prompt temperature feedback are proposed by developing a tailored thermal resistance in the nuclear fuel. In the event of a large reactivity insertion, the thermal resistance allows for a faster negative Doppler feedback by temporarily trapping heat in material zones with strong absorption resonances. A multi-physics simulation framework was created that could model large reactivity insertions. The framework was then used to model a comparison of a heterogeneous fuel with a tailored thermal resistance and a homogeneous fuel without the tailored thermal resistance. The results from the analysis confirmed the fundamental premise of prompt temperature feedback and provide insights into the neutron spectrum dynamics throughout the transient process. A trade study was conducted on infinite lattice fuels to help map a design space to study and improve prompt temperature feedback with many results. A multi-scale fuel pin analysis was also completed to study more realistic geometries. The results of this research could someday allow for novel nuclear fuels that would behave differently than current fuels. The idea of having a thermal barrier coating in the fuel is contrary to most current thinking. Inherent resistance to reactivity insertion accidents could enable certain reactor types once considered vulnerable to reactivity insertion accidents to be reevaluated in light of improved negative prompt temperature feedback.

How much detail is needed in modeling a transcranial magnetic stimulation figure-8 coil: Measurements and brain simulations

PubMed Central

Mandija, Stefano; Sommer, Iris E. C.; van den Berg, Cornelis A. T.; Neggers, Sebastiaan F. W.

2017-01-01

Background Despite TMS wide adoption, its spatial and temporal patterns of neuronal effects are not well understood. Although progress has been made in predicting induced currents in the brain using realistic finite element models (FEM), there is little consensus on how a magnetic field of a typical TMS coil should be modeled. Empirical validation of such models is limited and subject to several limitations. Methods We evaluate and empirically validate models of a figure-of-eight TMS coil that are commonly used in published modeling studies, of increasing complexity: simple circular coil model; coil with in-plane spiral winding turns; and finally one with stacked spiral winding turns. We will assess the electric fields induced by all 3 coil models in the motor cortex using a computer FEM model. Biot-Savart models of discretized wires were used to approximate the 3 coil models of increasing complexity. We use a tailored MR based phase mapping technique to get a full 3D validation of the incident magnetic field induced in a cylindrical phantom by our TMS coil. FEM based simulations on a meshed 3D brain model consisting of five tissues types were performed, using two orthogonal coil orientations. Results Substantial differences in the induced currents are observed, both theoretically and empirically, between highly idealized coils and coils with correctly modeled spiral winding turns. Thickness of the coil winding turns affect minimally the induced electric field, and it does not influence the predicted activation. Conclusion TMS coil models used in FEM simulations should include in-plane coil geometry in order to make reliable predictions of the incident field. Modeling the in-plane coil geometry is important to correctly simulate the induced electric field and to correctly make reliable predictions of neuronal activation PMID:28640923

Persistence Characteristics of Wind-Tunnel Pressure Signatures From Two Similar Models

NASA Technical Reports Server (NTRS)

Mack, Robert J.

2004-01-01

Pressure signatures generated by two sonic-boom wind-tunnel models and measured at Mach 2 are presented, analyzed, and discussed. The two wind-tunnel models differed in length and span by a factor of fourteen, but were similar in wing-body planform shape. The geometry of the larger model had been low-boom tailored to generate a flat top ground pressure signature, and the nacelles-off pressure signatures from this model became more flattop in shape as the model-probe separation distances increased from 0.94 to 4.4 span lengths. The geometry of the smaller model had not been low-boom tailored, yet its measured pressure signatures had non-N-wave shapes that persisted as model-probe separation distances increased from 26.0 to 104.2 span lengths. Since the overall planforms of the two wind-tunnel models were so similar, it was concluded that the shape-persistence trends in the pressure signatures of the smaller, non-low-boom tailored model would also be present at very large distances in the pressure signatures of the larger, low-boom-tailored model.

Neural network computer simulation of medical aerosols.

PubMed

Richardson, C J; Barlow, D J

1996-06-01

Preliminary investigations have been conducted to assess the potential for using artificial neural networks to simulate aerosol behaviour, with a view to employing this type of methodology in the evaluation and design of pulmonary drug-delivery systems. Details are presented of the general purpose software developed for these tasks; it implements a feed-forward back-propagation algorithm with weight decay and connection pruning, the user having complete run-time control of the network architecture and mode of training. A series of exploratory investigations is then reported in which different network structures and training strategies are assessed in terms of their ability to simulate known patterns of fluid flow in simple model systems. The first of these involves simulations of cellular automata-generated data for fluid flow through a partially obstructed two-dimensional pipe. The artificial neural networks are shown to be highly successful in simulating the behaviour of this simple linear system, but with important provisos relating to the information content of the training data and the criteria used to judge when the network is properly trained. A second set of investigations is then reported in which similar networks are used to simulate patterns of fluid flow through aerosol generation devices, using training data furnished through rigorous computational fluid dynamics modelling. These more complex three-dimensional systems are modelled with equal success. It is concluded that carefully tailored, well trained networks could provide valuable tools not just for predicting but also for analysing the spatial dynamics of pharmaceutical aerosols.

FEBio: finite elements for biomechanics.

PubMed

Maas, Steve A; Ellis, Benjamin J; Ateshian, Gerard A; Weiss, Jeffrey A

2012-01-01

In the field of computational biomechanics, investigators have primarily used commercial software that is neither geared toward biological applications nor sufficiently flexible to follow the latest developments in the field. This lack of a tailored software environment has hampered research progress, as well as dissemination of models and results. To address these issues, we developed the FEBio software suite (http://mrl.sci.utah.edu/software/febio), a nonlinear implicit finite element (FE) framework, designed specifically for analysis in computational solid biomechanics. This paper provides an overview of the theoretical basis of FEBio and its main features. FEBio offers modeling scenarios, constitutive models, and boundary conditions, which are relevant to numerous applications in biomechanics. The open-source FEBio software is written in C++, with particular attention to scalar and parallel performance on modern computer architectures. Software verification is a large part of the development and maintenance of FEBio, and to demonstrate the general approach, the description and results of several problems from the FEBio Verification Suite are presented and compared to analytical solutions or results from other established and verified FE codes. An additional simulation is described that illustrates the application of FEBio to a research problem in biomechanics. Together with the pre- and postprocessing software PREVIEW and POSTVIEW, FEBio provides a tailored solution for research and development in computational biomechanics.

Simulated Wake Characteristics Data for Closely Spaced Parallel Runway Operations Analysis

NASA Technical Reports Server (NTRS)

Guerreiro, Nelson M.; Neitzke, Kurt W.

2012-01-01

A simulation experiment was performed to generate and compile wake characteristics data relevant to the evaluation and feasibility analysis of closely spaced parallel runway (CSPR) operational concepts. While the experiment in this work is not tailored to any particular operational concept, the generated data applies to the broader class of CSPR concepts, where a trailing aircraft on a CSPR approach is required to stay ahead of the wake vortices generated by a lead aircraft on an adjacent CSPR. Data for wake age, circulation strength, and wake altitude change, at various lateral offset distances from the wake-generating lead aircraft approach path were compiled for a set of nine aircraft spanning the full range of FAA and ICAO wake classifications. A total of 54 scenarios were simulated to generate data related to key parameters that determine wake behavior. Of particular interest are wake age characteristics that can be used to evaluate both time- and distance- based in-trail separation concepts for all aircraft wake-class combinations. A simple first-order difference model was developed to enable the computation of wake parameter estimates for aircraft models having weight, wingspan and speed characteristics similar to those of the nine aircraft modeled in this work.

Tailored motivational message generation: A model and practical framework for real-time physical activity coaching.

PubMed

Op den Akker, Harm; Cabrita, Miriam; Op den Akker, Rieks; Jones, Valerie M; Hermens, Hermie J

2015-06-01

This paper presents a comprehensive and practical framework for automatic generation of real-time tailored messages in behavior change applications. Basic aspects of motivational messages are time, intention, content and presentation. Tailoring of messages to the individual user may involve all aspects of communication. A linear modular system is presented for generating such messages. It is explained how properties of user and context are taken into account in each of the modules of the system and how they affect the linguistic presentation of the generated messages. The model of motivational messages presented is based on an analysis of existing literature as well as the analysis of a corpus of motivational messages used in previous studies. The model extends existing 'ontology-based' approaches to message generation for real-time coaching systems found in the literature. Practical examples are given on how simple tailoring rules can be implemented throughout the various stages of the framework. Such examples can guide further research by clarifying what it means to use e.g. user targeting to tailor a message. As primary example we look at the issue of promoting daily physical activity. Future work is pointed out in applying the present model and framework, defining efficient ways of evaluating individual tailoring components, and improving effectiveness through the creation of accurate and complete user- and context models. Copyright © 2015 Elsevier Inc. All rights reserved.

Tele-surgery simulation with a patient organ model for robotic surgery training.

PubMed

Suzuki, S; Suzuki, N; Hattori, A; Hayashibe, M; Konishi, K; Kakeji, Y; Hashizume, M

2005-12-01

Robotic systems are increasingly being incorporated into general laparoscopic and thoracoscopic surgery to perform procedures such as cholecystectomy and prostatectomy. Robotic assisted surgery allows the surgeon to conduct minimally invasive surgery with increased accuracy and with potential benefits for patients. However, current robotic systems have their limitations. These include the narrow operative field of view, which can make instrument manipulation difficult. Current robotic applications are also tailored to specific surgical procedures. For these reasons, there is an increasing demand on surgeons to master the skills of instrument manipulation and their surgical application within a controlled environment. This study describes the development of a surgical simulator for training and mastering procedures performed with the da Vinci surgical system. The development of a tele-surgery simulator and the construction of a training center are also described, which will enable surgeons to simulate surgery from or in remote places, to collaborate over long distances, and for off-site expert assistance. Copyright 2005 John Wiley & Sons, Ltd.

Control of tunable, monoenergetic laser-plasma-accelerated electron beams using a shock-induced density downramp injector

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

Swanson, K. K.; Tsai, H. -E.; Barber, S. K.

Control of the properties of laser-plasma-accelerated electron beams that were injected along a shock-induced density downramp through precision tailoring of the density profile was demonstrated using a 1.8 J, 45 fs laser interacting with a mm-scale gas jet. The effects on the beam spatial profile, steering, and absolute energy spread of the density region before the shock and tilt of the shock were investigated experimentally and with particle-in-cell simulations. By adjusting these density parameters, the electron beam quality was controlled and improved while the energy (30-180 MeV) and energy spread (2-11 MeV) were independently tuned. Simple models that are inmore » good agreement with the experimental results are proposed to explain these relationships, advancing the understanding of downramp injection. In conclusion, this technique allows for high-quality electron beams with percent-level energy spread to be tailored based on the application.« less

Control of tunable, monoenergetic laser-plasma-accelerated electron beams using a shock-induced density downramp injector

DOE PAGES

Swanson, K. K.; Tsai, H. -E.; Barber, S. K.; ...

2017-05-30

Control of the properties of laser-plasma-accelerated electron beams that were injected along a shock-induced density downramp through precision tailoring of the density profile was demonstrated using a 1.8 J, 45 fs laser interacting with a mm-scale gas jet. The effects on the beam spatial profile, steering, and absolute energy spread of the density region before the shock and tilt of the shock were investigated experimentally and with particle-in-cell simulations. By adjusting these density parameters, the electron beam quality was controlled and improved while the energy (30-180 MeV) and energy spread (2-11 MeV) were independently tuned. Simple models that are inmore » good agreement with the experimental results are proposed to explain these relationships, advancing the understanding of downramp injection. In conclusion, this technique allows for high-quality electron beams with percent-level energy spread to be tailored based on the application.« less

A 3D Lattice Modelling Study of Drying Shrinkage Damage in Concrete Repair Systems

PubMed Central

Luković, Mladena; Šavija, Branko; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2016-01-01

Differential shrinkage between repair material and concrete substrate is considered to be the main cause of premature failure of repair systems. The magnitude of induced stresses depends on many factors, for example the degree of restraint, moisture gradients caused by curing and drying conditions, type of repair material, etc. Numerical simulations combined with experimental observations can be of great use when determining the influence of these parameters on the performance of repair systems. In this work, a lattice type model was used to simulate first the moisture transport inside a repair system and then the resulting damage as a function of time. 3D simulations were performed, and damage patterns were qualitatively verified with experimental results and cracking tendencies in different brittle and ductile materials. The influence of substrate surface preparation, bond strength between the two materials, and thickness of the repair material were investigated. Benefits of using a specially tailored fibre reinforced material, namely strain hardening cementitious composite (SHCC), for controlling the damage development due to drying shrinkage in concrete repairs was also examined. PMID:28773696

A 3D Lattice Modelling Study of Drying Shrinkage Damage in Concrete Repair Systems.

PubMed

Luković, Mladena; Šavija, Branko; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2016-07-14

Differential shrinkage between repair material and concrete substrate is considered to be the main cause of premature failure of repair systems. The magnitude of induced stresses depends on many factors, for example the degree of restraint, moisture gradients caused by curing and drying conditions, type of repair material, etc. Numerical simulations combined with experimental observations can be of great use when determining the influence of these parameters on the performance of repair systems. In this work, a lattice type model was used to simulate first the moisture transport inside a repair system and then the resulting damage as a function of time. 3D simulations were performed, and damage patterns were qualitatively verified with experimental results and cracking tendencies in different brittle and ductile materials. The influence of substrate surface preparation, bond strength between the two materials, and thickness of the repair material were investigated. Benefits of using a specially tailored fibre reinforced material, namely strain hardening cementitious composite (SHCC), for controlling the damage development due to drying shrinkage in concrete repairs was also examined.

Aortic dissection simulation models for clinical support: fluid-structure interaction vs. rigid wall models.

PubMed

Alimohammadi, Mona; Sherwood, Joseph M; Karimpour, Morad; Agu, Obiekezie; Balabani, Stavroula; Díaz-Zuccarini, Vanessa

2015-04-15

The management and prognosis of aortic dissection (AD) is often challenging and the use of personalised computational models is being explored as a tool to improve clinical outcome. Including vessel wall motion in such simulations can provide more realistic and potentially accurate results, but requires significant additional computational resources, as well as expertise. With clinical translation as the final aim, trade-offs between complexity, speed and accuracy are inevitable. The present study explores whether modelling wall motion is worth the additional expense in the case of AD, by carrying out fluid-structure interaction (FSI) simulations based on a sample patient case. Patient-specific anatomical details were extracted from computed tomography images to provide the fluid domain, from which the vessel wall was extrapolated. Two-way fluid-structure interaction simulations were performed, with coupled Windkessel boundary conditions and hyperelastic wall properties. The blood was modelled using the Carreau-Yasuda viscosity model and turbulence was accounted for via a shear stress transport model. A simulation without wall motion (rigid wall) was carried out for comparison purposes. The displacement of the vessel wall was comparable to reports from imaging studies in terms of intimal flap motion and contraction of the true lumen. Analysis of the haemodynamics around the proximal and distal false lumen in the FSI model showed complex flow structures caused by the expansion and contraction of the vessel wall. These flow patterns led to significantly different predictions of wall shear stress, particularly its oscillatory component, which were not captured by the rigid wall model. Through comparison with imaging data, the results of the present study indicate that the fluid-structure interaction methodology employed herein is appropriate for simulations of aortic dissection. Regions of high wall shear stress were not significantly altered by the wall motion, however, certain collocated regions of low and oscillatory wall shear stress which may be critical for disease progression were only identified in the FSI simulation. We conclude that, if patient-tailored simulations of aortic dissection are to be used as an interventional planning tool, then the additional complexity, expertise and computational expense required to model wall motion is indeed justified.

Excavator Design Validation

NASA Technical Reports Server (NTRS)

Pholsiri, Chalongrath; English, James; Seberino, Charles; Lim, Yi-Je

2010-01-01

The Excavator Design Validation tool verifies excavator designs by automatically generating control systems and modeling their performance in an accurate simulation of their expected environment. Part of this software design includes interfacing with human operations that can be included in simulation-based studies and validation. This is essential for assessing productivity, versatility, and reliability. This software combines automatic control system generation from CAD (computer-aided design) models, rapid validation of complex mechanism designs, and detailed models of the environment including soil, dust, temperature, remote supervision, and communication latency to create a system of high value. Unique algorithms have been created for controlling and simulating complex robotic mechanisms automatically from just a CAD description. These algorithms are implemented as a commercial cross-platform C++ software toolkit that is configurable using the Extensible Markup Language (XML). The algorithms work with virtually any mobile robotic mechanisms using module descriptions that adhere to the XML standard. In addition, high-fidelity, real-time physics-based simulation algorithms have also been developed that include models of internal forces and the forces produced when a mechanism interacts with the outside world. This capability is combined with an innovative organization for simulation algorithms, new regolith simulation methods, and a unique control and study architecture to make powerful tools with the potential to transform the way NASA verifies and compares excavator designs. Energid's Actin software has been leveraged for this design validation. The architecture includes parametric and Monte Carlo studies tailored for validation of excavator designs and their control by remote human operators. It also includes the ability to interface with third-party software and human-input devices. Two types of simulation models have been adapted: high-fidelity discrete element models and fast analytical models. By using the first to establish parameters for the second, a system has been created that can be executed in real time, or faster than real time, on a desktop PC. This allows Monte Carlo simulations to be performed on a computer platform available to all researchers, and it allows human interaction to be included in a real-time simulation process. Metrics on excavator performance are established that work with the simulation architecture. Both static and dynamic metrics are included.

3D printing and intraoperative neuronavigation tailoring for skull base reconstruction after extended endoscopic endonasal surgery: proof of concept.

PubMed

Essayed, Walid I; Unadkat, Prashin; Hosny, Ahmed; Frisken, Sarah; Rassi, Marcio S; Mukundan, Srinivasan; Weaver, James C; Al-Mefty, Ossama; Golby, Alexandra J; Dunn, Ian F

2018-03-02

OBJECTIVE Endoscopic endonasal approaches are increasingly performed for the surgical treatment of multiple skull base pathologies. Preventing postoperative CSF leaks remains a major challenge, particularly in extended approaches. In this study, the authors assessed the potential use of modern multimaterial 3D printing and neuronavigation to help model these extended defects and develop specifically tailored prostheses for reconstructive purposes. METHODS Extended endoscopic endonasal skull base approaches were performed on 3 human cadaveric heads. Preprocedure and intraprocedure CT scans were completed and were used to segment and design extended and tailored skull base models. Multimaterial models with different core/edge interfaces were 3D printed for implantation trials. A novel application of the intraoperative landmark acquisition method was used to transfer the navigation, helping to tailor the extended models. RESULTS Prostheses were created based on preoperative and intraoperative CT scans. The navigation transfer offered sufficiently accurate data to tailor the preprinted extended skull base defect prostheses. Successful implantation of the skull base prostheses was achieved in all specimens. The progressive flexibility gradient of the models' edges offered the best compromise for easy intranasal maneuverability, anchoring, and structural stability. Prostheses printed based on intraprocedure CT scans were accurate in shape but slightly undersized. CONCLUSIONS Preoperative 3D printing of patient-specific skull base models is achievable for extended endoscopic endonasal surgery. The careful spatial modeling and the use of a flexibility gradient in the design helped achieve the most stable reconstruction. Neuronavigation can help tailor preprinted prostheses.

Tailored instructor feedback leads to more effective virtual-reality laparoscopic training.

PubMed

Paschold, M; Huber, T; Zeißig, S R; Lang, H; Kneist, Werner

2014-03-01

Laparoscopic novices begin at different performance levels, and studies on tailored training concepts are warranted. The effect of verbal instructor feedback has been investigated with varying results, and its effectiveness in virtual-reality laparoscopic (VRL) simulations still is unclear. This study aimed to determine whether laparoscopic novices with lower initial performance statuses may profit from training with intensive instructor feedback. A prospective, single-blinded study was performed within a week-long curricular course. In this study, 20 medical students performed a complex bimanual maneuver on a VRL simulator. There was a division in performance levels, with a high-performer group (HPG) that received a better median score and a low-performer group (LPG). During the training phase, only the initial LPG received standardized instructor feedback in a one-to-one setting. The final assessment of skills for both groups involved performing the task without feedback at the end of the course. The HPG and LPG showed significantly different initial performance levels according global and categorized (time, economics, error) scores (p < 0.005). This difference disappeared quickly throughout the instructor feedback phase. The final assessment demonstrated that both groups were at the same level of performance. This is the first study to use a tailored training concept with instructor feedback limited to the LPG. The tailored training was effective and economic for the laparoscopic novices and their teachers.

Generation and use of human 3D-CAD models

NASA Astrophysics Data System (ADS)

Grotepass, Juergen; Speyer, Hartmut; Kaiser, Ralf

2002-05-01

Individualized Products are one of the ten mega trends of the 21st Century with human modeling as the key issue for tomorrow's design and product development. The use of human modeling software for computer based ergonomic simulations within the production process increases quality while reducing costs by 30- 50 percent and shortening production time. This presentation focuses on the use of human 3D-CAD models for both, the ergonomic design of working environments and made to measure garment production. Today, the entire production chain can be designed, individualized models generated and analyzed in 3D computer environments. Anthropometric design for ergonomics is matched to human needs, thus preserving health. Ergonomic simulation includes topics as human vision, reachability, kinematics, force and comfort analysis and international design capabilities. In German more than 17 billions of Mark are moved to other industries, because clothes do not fit. Individual clothing tailored to the customer's preference means surplus value, pleasure and perfect fit. The body scanning technology is the key to generation and use of human 3D-CAD models for both, the ergonomic design of working environments and made to measure garment production.

Hydroforming Of Patchwork Blanks — Numerical Modeling And Experimental Validation

NASA Astrophysics Data System (ADS)

Lamprecht, Klaus; Merklein, Marion; Geiger, Manfred

2005-08-01

In comparison to the commonly applied technology of tailored blanks the concept of patchwork blanks offers a number of additional advantages. Potential application areas for patchwork blanks in automotive industry are e.g. local reinforcements of automotive closures, structural reinforcements of rails and pillars as well as shock towers. But even if there is a significant application potential for patchwork blanks in automobile production, industrial realization of this innovative technique is decelerated due to a lack of knowledge regarding the forming behavior and the numerical modeling of patchwork blanks. Especially for the numerical simulation of hydroforming processes, where one part of the forming tool is replaced by a fluid under pressure, advanced modeling techniques are required to ensure an accurate prediction of the blanks' forming behavior. The objective of this contribution is to provide an appropriate model for the numerical simulation of patchwork blanks' forming processes. Therefore, different finite element modeling techniques for patchwork blanks are presented. In addition to basic shell element models a combined finite element model consisting of shell and solid elements is defined. Special emphasis is placed on the modeling of the weld seam. For this purpose the local mechanical properties of the weld metal, which have been determined by means of Martens-hardness measurements and uniaxial tensile tests, are integrated in the finite element models. The results obtained from the numerical simulations are compared to experimental data from a hydraulic bulge test. In this context the focus is laid on laser- and spot-welded patchwork blanks.

Agent-based Modeling with MATSim for Hazards Evacuation Planning

NASA Astrophysics Data System (ADS)

Jones, J. M.; Ng, P.; Henry, K.; Peters, J.; Wood, N. J.

2015-12-01

Hazard evacuation planning requires robust modeling tools and techniques, such as least cost distance or agent-based modeling, to gain an understanding of a community's potential to reach safety before event (e.g. tsunami) arrival. Least cost distance modeling provides a static view of the evacuation landscape with an estimate of travel times to safety from each location in the hazard space. With this information, practitioners can assess a community's overall ability for timely evacuation. More information may be needed if evacuee congestion creates bottlenecks in the flow patterns. Dynamic movement patterns are best explored with agent-based models that simulate movement of and interaction between individual agents as evacuees through the hazard space, reacting to potential congestion areas along the evacuation route. The multi-agent transport simulation model MATSim is an agent-based modeling framework that can be applied to hazard evacuation planning. Developed jointly by universities in Switzerland and Germany, MATSim is open-source software written in Java and freely available for modification or enhancement. We successfully used MATSim to illustrate tsunami evacuation challenges in two island communities in California, USA, that are impacted by limited escape routes. However, working with MATSim's data preparation, simulation, and visualization modules in an integrated development environment requires a significant investment of time to develop the software expertise to link the modules and run a simulation. To facilitate our evacuation research, we packaged the MATSim modules into a single application tailored to the needs of the hazards community. By exposing the modeling parameters of interest to researchers in an intuitive user interface and hiding the software complexities, we bring agent-based modeling closer to practitioners and provide access to the powerful visual and analytic information that this modeling can provide.

Program Code Generator for Cardiac Electrophysiology Simulation with Automatic PDE Boundary Condition Handling

PubMed Central

Punzalan, Florencio Rusty; Kunieda, Yoshitoshi; Amano, Akira

2015-01-01

Clinical and experimental studies involving human hearts can have certain limitations. Methods such as computer simulations can be an important alternative or supplemental tool. Physiological simulation at the tissue or organ level typically involves the handling of partial differential equations (PDEs). Boundary conditions and distributed parameters, such as those used in pharmacokinetics simulation, add to the complexity of the PDE solution. These factors can tailor PDE solutions and their corresponding program code to specific problems. Boundary condition and parameter changes in the customized code are usually prone to errors and time-consuming. We propose a general approach for handling PDEs and boundary conditions in computational models using a replacement scheme for discretization. This study is an extension of a program generator that we introduced in a previous publication. The program generator can generate code for multi-cell simulations of cardiac electrophysiology. Improvements to the system allow it to handle simultaneous equations in the biological function model as well as implicit PDE numerical schemes. The replacement scheme involves substituting all partial differential terms with numerical solution equations. Once the model and boundary equations are discretized with the numerical solution scheme, instances of the equations are generated to undergo dependency analysis. The result of the dependency analysis is then used to generate the program code. The resulting program code are in Java or C programming language. To validate the automatic handling of boundary conditions in the program code generator, we generated simulation code using the FHN, Luo-Rudy 1, and Hund-Rudy cell models and run cell-to-cell coupling and action potential propagation simulations. One of the simulations is based on a published experiment and simulation results are compared with the experimental data. We conclude that the proposed program code generator can be used to generate code for physiological simulations and provides a tool for studying cardiac electrophysiology. PMID:26356082

Developing future precipitation events from historic events: An Amsterdam case study.

NASA Astrophysics Data System (ADS)

Manola, Iris; van den Hurk, Bart; de Moel, Hans; Aerts, Jeroen

2016-04-01

Due to climate change, the frequency and intensity of extreme precipitation events is expected to increase. It is therefore of high importance to develop climate change scenarios tailored towards the local and regional needs of policy makers in order to develop efficient adaptation strategies to reduce the risks from extreme weather events. Current approaches to tailor climate scenarios are often not well adopted in hazard management, since average changes in climate are not a main concern to policy makers, and tailoring climate scenarios to simulate future extremes can be complex. Therefore, a new concept has been introduced recently that uses known historic extreme events as a basis, and modifies the observed data for these events so that the outcome shows how the same event would occur in a warmer climate. This concept is introduced as 'Future Weather', and appeals to the experience of stakeholders and users. This research presents a novel method of projecting a future extreme precipitation event, based on a historic event. The selected precipitation event took place over the broader area of Amsterdam, the Netherlands in the summer of 2014, which resulted in blocked highways, disruption of air transportation, flooded buildings and public facilities. An analysis of rain monitoring stations showed that an event of such intensity has a 5 to 15 years return period. The method of projecting a future event follows a non-linear delta transformation that is applied directly on the observed event assuming a warmer climate to produce an "up-scaled" future precipitation event. The delta transformation is based on the observed behaviour of the precipitation intensity as a function of the dew point temperature during summers. The outcome is then compared to a benchmark method using the HARMONIE numerical weather prediction model, where the boundary conditions of the event from the Ensemble Prediction System of ECMWF (ENS) are perturbed to indicate a warmer climate. The two methodologies are statistically compared and evaluated. The comparison between the historic event generated by the model and the observed event will give information on the realism of the model for this event. The comparison between the delta transformation method and the future simulation will provide information on how the dynamics would affect the precipitation field, as compared to the statistical method.

A multi-tissue type genome-scale metabolic network for analysis of whole-body systems physiology

PubMed Central

2011-01-01

Background Genome-scale metabolic reconstructions provide a biologically meaningful mechanistic basis for the genotype-phenotype relationship. The global human metabolic network, termed Recon 1, has recently been reconstructed allowing the systems analysis of human metabolic physiology and pathology. Utilizing high-throughput data, Recon 1 has recently been tailored to different cells and tissues, including the liver, kidney, brain, and alveolar macrophage. These models have shown utility in the study of systems medicine. However, no integrated analysis between human tissues has been done. Results To describe tissue-specific functions, Recon 1 was tailored to describe metabolism in three human cells: adipocytes, hepatocytes, and myocytes. These cell-specific networks were manually curated and validated based on known cellular metabolic functions. To study intercellular interactions, a novel multi-tissue type modeling approach was developed to integrate the metabolic functions for the three cell types, and subsequently used to simulate known integrated metabolic cycles. In addition, the multi-tissue model was used to study diabetes: a pathology with systemic properties. High-throughput data was integrated with the network to determine differential metabolic activity between obese and type II obese gastric bypass patients in a whole-body context. Conclusion The multi-tissue type modeling approach presented provides a platform to study integrated metabolic states. As more cell and tissue-specific models are released, it is critical to develop a framework in which to study their interdependencies. PMID:22041191

Evidence-Centered Design for Simulation-Based Assessment. CRESST Report 800

ERIC Educational Resources Information Center

Mislevy, Robert J.

2011-01-01

Simulations provide opportunities for individuals to learn and develop skills for situations that may be expensive, time-consuming, or dangerous. Careful design can support a person's learning by tailoring the features of situations to his or her skill level(s), allowing repeated attempts, and by providing timely feedback. Furthermore, simulations…

Compact high-flux two-stage solar collectors based on tailored edge-ray concentrators

NASA Astrophysics Data System (ADS)

Friedman, Robert P.; Gordon, Jeffrey M.; Ries, Harald

1995-08-01

Using the recently-invented tailored edge-ray concentrator (TERC) approach for the design of compact two-stage high-flux solar collectors--a focusing primary reflector and a nonimaging TERC secondary reflector--we present: 1) a new primary reflector shape based on the TERC approach and a secondary TERC tailored to its particular flux map, such that more compact concentrators emerge at flux concentration levels in excess of 90% of the thermodynamic limit; and 2) calculations and raytrace simulations result which demonstrate the V-cone approximations to a wide variety of TERCs attain the concentration of the TERC to within a few percent, and hence represent practical secondary concentrators that may be superior to corresponding compound parabolic concentrator or trumpet secondaries.

Hundreds MeV monoenergetic proton bunch from interaction of 10{sup 20-21} W/cm{sup 2} circularly polarized laser pulse with tailored complex target

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

Zhang, Z. M.; Laser Fusion Research Center, CAEP, Mianyang 621900; He, X. T.

A complex target (CT) configuration tailored for generating high quality proton bunch by circularly polarized laser pulses at intensities of 10{sup 20-21} W/cm{sup 2} is proposed. Two-dimensional particle-in-cell simulations show that both the collimation and mono-energetic qualities of the accelerated proton bunch obtained using a front-shaped thin foil can be greatly enhanced by the backside inhomogeneous plasma layer. The main mechanisms for improving the accelerated protons are identified and discussed. These include stabilization of the photon cavity, providing hole-boring supplementary acceleration and suppressing the thermal-electron effects. A theory for tailoring the CT parameters is also presented.

Xyce™ Parallel Electronic Simulator Users' Guide, Version 6.5.

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

Keiter, Eric R.; Aadithya, Karthik V.; Mei, Ting

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to developmore » new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandia's needs, including some radiation- aware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase -- a message passing parallel implementation -- which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. The information herein is subject to change without notice. Copyright © 2002-2016 Sandia Corporation. All rights reserved.« less

Development of high-resolution multi-scale modelling system for simulation of coastal-fluvial urban flooding

NASA Astrophysics Data System (ADS)

Comer, Joanne; Indiana Olbert, Agnieszka; Nash, Stephen; Hartnett, Michael

2017-02-01

Urban developments in coastal zones are often exposed to natural hazards such as flooding. In this research, a state-of-the-art, multi-scale nested flood (MSN_Flood) model is applied to simulate complex coastal-fluvial urban flooding due to combined effects of tides, surges and river discharges. Cork city on Ireland's southwest coast is a study case. The flood modelling system comprises a cascade of four dynamically linked models that resolve the hydrodynamics of Cork Harbour and/or its sub-region at four scales: 90, 30, 6 and 2 m. Results demonstrate that the internalization of the nested boundary through the use of ghost cells combined with a tailored adaptive interpolation technique creates a highly dynamic moving boundary that permits flooding and drying of the nested boundary. This novel feature of MSN_Flood provides a high degree of choice regarding the location of the boundaries to the nested domain and therefore flexibility in model application. The nested MSN_Flood model through dynamic downscaling facilitates significant improvements in accuracy of model output without incurring the computational expense of high spatial resolution over the entire model domain. The urban flood model provides full characteristics of water levels and flow regimes necessary for flood hazard identification and flood risk assessment.

DOE unveils climate model in advance of global test

NASA Astrophysics Data System (ADS)

Popkin, Gabriel

2018-05-01

The world's growing collection of climate models has a high-profile new entry. Last week, after nearly 4 years of work, the U.S. Department of Energy (DOE) released computer code and initial results from an ambitious effort to simulate the Earth system. The new model is tailored to run on future supercomputers and designed to forecast not just how climate will change, but also how those changes might stress energy infrastructure. Results from an upcoming comparison of global models may show how well the new entrant works. But so far it is getting a mixed reception, with some questioning the need for another model and others saying the $80 million effort has yet to improve predictions of the future climate. Even the project's chief scientist, Ruby Leung of the Pacific Northwest National Laboratory in Richland, Washington, acknowledges that the model is not yet a leader.

A Design for Composing and Extending Vehicle Models

NASA Technical Reports Server (NTRS)

Madden, Michael M.; Neuhaus, Jason R.

2003-01-01

The Systems Development Branch (SDB) at NASA Langley Research Center (LaRC) creates simulation software products for research. Each product consists of an aircraft model with experiment extensions. SDB treats its aircraft models as reusable components, upon which experiments can be built. SDB has evolved aircraft model design with the following goals: 1. Avoid polluting the aircraft model with experiment code. 2. Discourage the copy and tailor method of reuse. The current evolution of that architecture accomplishes these goals by reducing experiment creation to extend and compose. The architecture mechanizes the operational concerns of the model's subsystems and encapsulates them in an interface inherited by all subsystems. Generic operational code exercises the subsystems through the shared interface. An experiment is thus defined by the collection of subsystems that it creates ("compose"). Teams can modify the aircraft subsystems for the experiment using inheritance and polymorphism to create variants ("extend").

Accommodating subject and instrument variations in spectroscopic determinations

DOEpatents

Haas, Michael J [Albuquerque, NM; Rowe, Robert K [Corrales, NM; Thomas, Edward V [Albuquerque, NM

2006-08-29

A method and apparatus for measuring a biological attribute, such as the concentration of an analyte, particularly a blood analyte in tissue such as glucose. The method utilizes spectrographic techniques in conjunction with an improved instrument-tailored or subject-tailored calibration model. In a calibration phase, calibration model data is modified to reduce or eliminate instrument-specific attributes, resulting in a calibration data set modeling intra-instrument or intra-subject variation. In a prediction phase, the prediction process is tailored for each target instrument separately using a minimal number of spectral measurements from each instrument or subject.

eShopper modeling and simulation

NASA Astrophysics Data System (ADS)

Petrushin, Valery A.

2001-03-01

The advent of e-commerce gives an opportunity to shift the paradigm of customer communication into a highly interactive mode. The new generation of commercial Web servers, such as the Blue Martini's server, combines the collection of data on a customer behavior with real-time processing and dynamic tailoring of a feedback page. The new opportunities for direct product marketing and cross selling are arriving. The key problem is what kind of information do we need to achieve these goals, or in other words, how do we model the customer? The paper is devoted to customer modeling and simulation. The focus is on modeling an individual customer. The model is based on the customer's transaction data, click stream data, and demographics. The model includes the hierarchical profile of a customer's preferences to different types of products and brands; consumption models for the different types of products; the current focus, trends, and stochastic models for time intervals between purchases; product affinity models; and some generalized features, such as purchasing power, sensitivity to advertising, price sensitivity, etc. This type of model is used for predicting the date of the next visit, overall spending, and spending for different types of products and brands. For some type of stores (for example, a supermarket) and stable customers, it is possible to forecast the shopping lists rather accurately. The forecasting techniques are discussed. The forecasting results can be used for on- line direct marketing, customer retention, and inventory management. The customer model can also be used as a generative model for simulating the customer's purchasing behavior in different situations and for estimating customer's features.

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

Comparison of SVAT models for simulating and optimizing deficit irrigation systems in arid and semi-arid countries under climate variability

NASA Astrophysics Data System (ADS)

Kloss, Sebastian; Schuetze, Niels; Schmitz, Gerd H.

2010-05-01

The strong competition for fresh water in order to fulfill the increased demand for food worldwide has led to a renewed interest in techniques to improve water use efficiency (WUE) such as controlled deficit irrigation. Furthermore, as the implementation of crop models into complex decision support systems becomes more and more common, it is imperative to reliably predict the WUE as ratio of water consumption and yield. The objective of this paper is the assessment of the problems the crop models - such as FAO-33, DAISY, and APSIM in this study - face when maximizing the WUE. We applied these crop models for calculating the risk in yield reduction in view of different sources of uncertainty (e.g. climate) employing a stochastic framework for decision support for the planning of water supply in irrigation. The stochastic framework consists of: (i) a weather generator for simulating regional impacts of climate change; (ii) a new tailor-made evolutionary optimization algorithm for optimal irrigation scheduling with limited water supply; and (iii) the above mentioned models for simulating water transport and crop growth in a sound manner. The results present stochastic crop water production functions (SCWPF) for different crops which can be used as basic tools for assessing the impact of climate variability on the risk for the potential yield. Case studies from India, Oman, Malawi, and France are presented to assess the differences in modeling water stress and yield response for the different crop models.

Coupled attenuation and multiscale damage model for composite structures

NASA Astrophysics Data System (ADS)

Moncada, Albert M.; Chattopadhyay, Aditi; Bednarcyk, Brett; Arnold, Steven M.

2011-04-01

Composite materials are widely used in many applications for their high strength, low weight, and tailorability for specific applications. However, the development of robust and reliable methodologies to detect micro level damage in composite structures has been challenging. For composite materials, attenuation of ultrasonic waves propagating through the media can be used to determine damage within the material. Currently available numerical solutions for attenuation induce arbitrary damage, such as fiber-matrix debonding or inclusions, to show variations between healthy and damaged states. This paper addresses this issue by integrating a micromechanics analysis to simulate damage in the form of a fiber-matrix crack and an analytical model for calculating the attenuation of the waves when they pass through the damaged region. The hybrid analysis is validated by comparison with experimental stress-strain curves and piezoelectric sensing results for attenuation measurement. The results showed good agreement between the experimental stress-strain curves and the results from the micromechanics analysis. Wave propagation analysis also showed good correlation between simulation and experiment for the tested frequency range.

Analysis, design and elastic tailoring of composite rotor blades

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

The development of structural models for composite rotor blades is summarized. The models are intended for use in design analysis for the purpose of exploring the potential of elastic tailoring. The research was performed at the Center for Rotary Wing Aircraft Technology.

Platinum Alloy Tailored All-Weather Solar Cells for Energy Harvesting from Sun and Rain.

PubMed

Tang, Qunwei; Duan, Yanyan; He, Benlin; Chen, Haiyan

2016-11-07

Solar cells that can harvest energy in all weathers are promising in solving the energy crisis and environmental problems. The power outputs are nearly zero under dark conditions for state-of-the-art solar cells. To address this issue, we present herein a class of platinum alloy (PtM x , M=Ni, Fe, Co, Cu, Mo) tailored all-weather solar cells that can harvest energy from rain and realize photoelectric conversion under sun illumination. By tuning the stoichiometric Pt/M ratio and M species, the optimized solar cell yields a photoelectric conversion efficiency of 10.38 % under simulated sunlight irradiation (AM 1.5, 100 mW cm -2 ) as well as current of 3.90 μA and voltage of 115.52 μV under simulated raindrops. Moreover, the electric signals are highly dependent on the dripping velocity and the concentration of simulated raindrops along with concentrations of cation and anion. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of white light generation and near light bullets using a novel numerical technique

NASA Astrophysics Data System (ADS)

Zia, Haider

2018-01-01

An accurate and efficient simulation has been devised, employing a new numerical technique to simulate the derivative generalised non-linear Schrödinger equation in all three spatial dimensions and time. The simulation models all pertinent effects such as self-steepening and plasma for the non-linear propagation of ultrafast optical radiation in bulk material. Simulation results are compared to published experimental spectral data of an example ytterbium aluminum garnet system at 3.1 μm radiation and fits to within a factor of 5. The simulation shows that there is a stability point near the end of the 2 mm crystal where a quasi-light bullet (spatial temporal soliton) is present. Within this region, the pulse is collimated at a reduced diameter (factor of ∼2) and there exists a near temporal soliton at the spatial center. The temporal intensity within this stable region is compressed by a factor of ∼4 compared to the input. This study shows that the simulation highlights new physical phenomena based on the interplay of various linear, non-linear and plasma effects that go beyond the experiment and is thus integral to achieving accurate designs of white light generation systems for optical applications. An adaptive error reduction algorithm tailor made for this simulation will also be presented in appendix.

The Strata-1 experiment on small body regolith segregation

NASA Astrophysics Data System (ADS)

Fries, Marc; Abell, Paul; Brisset, Julie; Britt, Daniel; Colwell, Joshua; Dove, Adrienne; Durda, Dan; Graham, Lee; Hartzell, Christine; Hrovat, Kenneth; John, Kristen; Karrer, Dakotah; Leonard, Matthew; Love, Stanley; Morgan, Joseph; Poppin, Jayme; Rodriguez, Vincent; Sánchez-Lana, Paul; Scheeres, Dan; Whizin, Akbar

2018-01-01

The Strata-1 experiment studies the mixing and segregation dynamics of regolith on small bodies by exposing a suite of regolith simulants to the microgravity environment aboard the International Space Station (ISS) for one year. This will improve our understanding of regolith dynamics and properties on small asteroids, and may assist in interpreting analyses of samples from missions to small bodies such as OSIRIS-REx, Hayabusa-1 and -2, and future missions to small bodies. The Strata-1 experiment consists of four evacuated tubes partially filled with regolith simulants. The simulants are chosen to represent models of regolith covering a range of complexity and tailored to inform and improve computational studies. The four tubes are regularly imaged while moving in response to the ambient vibrational environment using dedicated cameras. The imagery is then downlinked to the Strata-1 science team about every two months. Analyses performed on the imagery includes evaluating the extent of the segregation of Strata-1 samples and comparing the observations to computational models. After Strata-1's return to Earth, x-ray tomography and optical microscopy will be used to study the post-flight simulant distribution. Strata-1 is also a pathfinder for the new "1E" ISS payload class, which is intended to simplify and accelerate emplacement of experiments on board ISS.

Numerical analysis of tailored sheets to improve the quality of components made by SPIF

NASA Astrophysics Data System (ADS)

Gagliardi, Francesco; Ambrogio, Giuseppina; Cozza, Anna; Pulice, Diego; Filice, Luigino

2018-05-01

In this paper, the authors pointed out a study on the profitable combination of forming techniques. More in detail, the attention has been put on the combination of the single point incremental forming (SPIF) and, generally, speaking, of an additional process that can lead to a material thickening on the initial blank considering the local thinning which the sheets undergo at. Focalizing the attention of the research on the excessive thinning of parts made by SPIF, a hybrid approach can be thought as a viable solution to reduce the not homogeneous thickness distribution of the sheet. In fact, the basic idea is to work on a blank previously modified by a deformation step performed, for instance, by forming, additive or subtractive processes. To evaluate the effectiveness of this hybrid solution, a FE numerical model has been defined to analyze the thickness variation on tailored sheets incrementally formed optimizing the material distribution according to the shape to be manufactured. Simulations based on the explicit formulation have been set up for the model implementation. The mechanical properties of the sheet material have been taken in literature and a frustum of cone as benchmark profile has been considered for the performed analysis. The outcomes of numerical model have been evaluated in terms of both maximum thinning and final thickness distribution. The feasibility of the proposed approach will be deeply detailed in the paper.

Composite mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1987-01-01

Recent research activities and accomplishments at Lewis Research Center on composite mechanics for engine structures are summarized. The activities focused mainly on developing procedures for the computational simulation of composite intrinsic and structural behavior. The computational simulation encompasses all aspects of composite mechanics, advanced three-dimensional finite-element methods, damage tolerance, composite structural and dynamic response, and structural tailoring and optimization.

Composite mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1989-01-01

Recent research activities and accomplishments at Lewis Research Center on composite mechanics for engine structures are summarized. The activities focused mainly on developing procedures for the computational simulation of composite intrinsic and structural behavior. The computational simulation encompasses all aspects of composite mechanics, advanced three-dimensional finite-element methods, damage tolerance, composite structural and dynamic response, and structural tailoring and optimization.

A multi-GPU real-time dose simulation software framework for lung radiotherapy.

PubMed

Santhanam, A P; Min, Y; Neelakkantan, H; Papp, N; Meeks, S L; Kupelian, P A

2012-09-01

Medical simulation frameworks facilitate both the preoperative and postoperative analysis of the patient's pathophysical condition. Of particular importance is the simulation of radiation dose delivery for real-time radiotherapy monitoring and retrospective analyses of the patient's treatment. In this paper, a software framework tailored for the development of simulation-based real-time radiation dose monitoring medical applications is discussed. A multi-GPU-based computational framework coupled with inter-process communication methods is introduced for simulating the radiation dose delivery on a deformable 3D volumetric lung model and its real-time visualization. The model deformation and the corresponding dose calculation are allocated among the GPUs in a task-specific manner and is performed in a pipelined manner. Radiation dose calculations are computed on two different GPU hardware architectures. The integration of this computational framework with a front-end software layer and back-end patient database repository is also discussed. Real-time simulation of the dose delivered is achieved at once every 120 ms using the proposed framework. With a linear increase in the number of GPU cores, the computational time of the simulation was linearly decreased. The inter-process communication time also improved with an increase in the hardware memory. Variations in the delivered dose and computational speedup for variations in the data dimensions are investigated using D70 and D90 as well as gEUD as metrics for a set of 14 patients. Computational speed-up increased with an increase in the beam dimensions when compared with a CPU-based commercial software while the error in the dose calculation was <1%. Our analyses show that the framework applied to deformable lung model-based radiotherapy is an effective tool for performing both real-time and retrospective analyses.

Finite-Difference Modeling of Acoustic and Gravity Wave Propagation in Mars Atmosphere: Application to Infrasounds Emitted by Meteor Impacts

NASA Astrophysics Data System (ADS)

Garcia, Raphael F.; Brissaud, Quentin; Rolland, Lucie; Martin, Roland; Komatitsch, Dimitri; Spiga, Aymeric; Lognonné, Philippe; Banerdt, Bruce

2017-10-01

The propagation of acoustic and gravity waves in planetary atmospheres is strongly dependent on both wind conditions and attenuation properties. This study presents a finite-difference modeling tool tailored for acoustic-gravity wave applications that takes into account the effect of background winds, attenuation phenomena (including relaxation effects specific to carbon dioxide atmospheres) and wave amplification by exponential density decrease with height. The simulation tool is implemented in 2D Cartesian coordinates and first validated by comparison with analytical solutions for benchmark problems. It is then applied to surface explosions simulating meteor impacts on Mars in various Martian atmospheric conditions inferred from global climate models. The acoustic wave travel times are validated by comparison with 2D ray tracing in a windy atmosphere. Our simulations predict that acoustic waves generated by impacts can refract back to the surface on wind ducts at high altitude. In addition, due to the strong nighttime near-surface temperature gradient on Mars, the acoustic waves are trapped in a waveguide close to the surface, which allows a night-side detection of impacts at large distances in Mars plains. Such theoretical predictions are directly applicable to future measurements by the INSIGHT NASA Discovery mission.

Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification

PubMed Central

Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

2016-01-01

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents. PMID:27713563

Process Design of Aluminum Tailor Heat Treated Blanks.

PubMed

Kahrimanidis, Alexander; Lechner, Michael; Degner, Julia; Wortberg, Daniel; Merklein, Marion

2015-12-09

In many industrials field, especially in the automotive sector, there is a trend toward lightweight constructions in order to reduce the weight and thereby the CO₂ and NO x emissions of the products. An auspicious approach within this context is the substitution of conventional deep drawing steel by precipitation hardenable aluminum alloys. However, based on the low formability, the application for complex stamping parts is challenging. Therefore, at the Institute of Manufacturing Technology, an innovative technology to enhance the forming limit of these lightweight materials was invented. The key idea of the so-called Tailor Heat Treated Blanks (THTB) is optimization of the mechanical properties by local heat treatment before the forming operation. An accurate description of material properties is crucial to predict the forming behavior of tailor heat treated blanks by simulation. Therefore, within in this research project, a holistic approach for the design of the THTB process in dependency of the main influencing parameters is presented and discussed in detail. The capability of the approach for the process development of complex forming operations is demonstrated by a comparison of local blank thickness of a tailgate with the corresponding results from simulation.

Process Design of Aluminum Tailor Heat Treated Blanks

PubMed Central

Kahrimanidis, Alexander; Lechner, Michael; Degner, Julia; Wortberg, Daniel; Merklein, Marion

2015-01-01

In many industrials field, especially in the automotive sector, there is a trend toward lightweight constructions in order to reduce the weight and thereby the CO2 and NOx emissions of the products. An auspicious approach within this context is the substitution of conventional deep drawing steel by precipitation hardenable aluminum alloys. However, based on the low formability, the application for complex stamping parts is challenging. Therefore, at the Institute of Manufacturing Technology, an innovative technology to enhance the forming limit of these lightweight materials was invented. The key idea of the so-called Tailor Heat Treated Blanks (THTB) is optimization of the mechanical properties by local heat treatment before the forming operation. An accurate description of material properties is crucial to predict the forming behavior of tailor heat treated blanks by simulation. Therefore, within in this research project, a holistic approach for the design of the THTB process in dependency of the main influencing parameters is presented and discussed in detail. The capability of the approach for the process development of complex forming operations is demonstrated by a comparison of local blank thickness of a tailgate with the corresponding results from simulation. PMID:28793727

Mathematical 3D modelling and sensitivity analysis of multipolar radiofrequency ablation in the spine.

PubMed

Matschek, Janine; Bullinger, Eric; von Haeseler, Friedrich; Skalej, Martin; Findeisen, Rolf

2017-02-01

Radiofrequency ablation is a valuable tool in the treatment of many diseases, especially cancer. However, controlled heating up to apoptosis of the desired target tissue in complex situations, e.g. in the spine, is challenging and requires experienced interventionalists. For such challenging situations a mathematical model of radiofrequency ablation allows to understand, improve and optimise the outcome of the medical therapy. The main contribution of this work is the derivation of a tailored, yet expandable mathematical model, for the simulation, analysis, planning and control of radiofrequency ablation in complex situations. The dynamic model consists of partial differential equations that describe the potential and temperature distribution during intervention. To account for multipolar operation, time-dependent boundary conditions are introduced. Spatially distributed parameters, like tissue conductivity and blood perfusion, allow to describe the complex 3D environment representing diverse involved tissue types in the spine. To identify the key parameters affecting the prediction quality of the model, the influence of the parameters on the temperature distribution is investigated via a sensitivity analysis. Simulations underpin the quality of the derived model and the analysis approach. The proposed modelling and analysis schemes set the basis for intervention planning, state- and parameter estimation, and control. Copyright © 2016. Published by Elsevier Inc.

Automatic design of decision-tree induction algorithms tailored to flexible-receptor docking data.

PubMed

Barros, Rodrigo C; Winck, Ana T; Machado, Karina S; Basgalupp, Márcio P; de Carvalho, André C P L F; Ruiz, Duncan D; de Souza, Osmar Norberto

2012-11-21

This paper addresses the prediction of the free energy of binding of a drug candidate with enzyme InhA associated with Mycobacterium tuberculosis. This problem is found within rational drug design, where interactions between drug candidates and target proteins are verified through molecular docking simulations. In this application, it is important not only to correctly predict the free energy of binding, but also to provide a comprehensible model that could be validated by a domain specialist. Decision-tree induction algorithms have been successfully used in drug-design related applications, specially considering that decision trees are simple to understand, interpret, and validate. There are several decision-tree induction algorithms available for general-use, but each one has a bias that makes it more suitable for a particular data distribution. In this article, we propose and investigate the automatic design of decision-tree induction algorithms tailored to particular drug-enzyme binding data sets. We investigate the performance of our new method for evaluating binding conformations of different drug candidates to InhA, and we analyze our findings with respect to decision tree accuracy, comprehensibility, and biological relevance. The empirical analysis indicates that our method is capable of automatically generating decision-tree induction algorithms that significantly outperform the traditional C4.5 algorithm with respect to both accuracy and comprehensibility. In addition, we provide the biological interpretation of the rules generated by our approach, reinforcing the importance of comprehensible predictive models in this particular bioinformatics application. We conclude that automatically designing a decision-tree algorithm tailored to molecular docking data is a promising alternative for the prediction of the free energy from the binding of a drug candidate with a flexible-receptor.

Automatic design of decision-tree induction algorithms tailored to flexible-receptor docking data

PubMed Central

2012-01-01

Background This paper addresses the prediction of the free energy of binding of a drug candidate with enzyme InhA associated with Mycobacterium tuberculosis. This problem is found within rational drug design, where interactions between drug candidates and target proteins are verified through molecular docking simulations. In this application, it is important not only to correctly predict the free energy of binding, but also to provide a comprehensible model that could be validated by a domain specialist. Decision-tree induction algorithms have been successfully used in drug-design related applications, specially considering that decision trees are simple to understand, interpret, and validate. There are several decision-tree induction algorithms available for general-use, but each one has a bias that makes it more suitable for a particular data distribution. In this article, we propose and investigate the automatic design of decision-tree induction algorithms tailored to particular drug-enzyme binding data sets. We investigate the performance of our new method for evaluating binding conformations of different drug candidates to InhA, and we analyze our findings with respect to decision tree accuracy, comprehensibility, and biological relevance. Results The empirical analysis indicates that our method is capable of automatically generating decision-tree induction algorithms that significantly outperform the traditional C4.5 algorithm with respect to both accuracy and comprehensibility. In addition, we provide the biological interpretation of the rules generated by our approach, reinforcing the importance of comprehensible predictive models in this particular bioinformatics application. Conclusions We conclude that automatically designing a decision-tree algorithm tailored to molecular docking data is a promising alternative for the prediction of the free energy from the binding of a drug candidate with a flexible-receptor. PMID:23171000

Accelerating gradient improvement from hole-boring to light-sail stage using shape-tailored laser front

NASA Astrophysics Data System (ADS)

Wang, W. P.; Shen, B. F.; Xu, Z. Z.

2017-01-01

The accelerating gradient of a proton beam is a crucial factor for the stable radiation pressure acceleration, because quickly accelerating protons into the relativistic region may reduce the multidimensional instability grow to a certain extent. In this letter, a shape-tailored laser is designed to accelerate the protons in a controllable high accelerating gradient in theory. Finally, a proton beam in the gigaelectronvolt range with an energy spread of ˜2.4% is obtained in one-dimensional particle-in-cell simulations. With the future development of the high-intense laser, the ability to accelerate a high energy proton beam using a shape-tailored laser will be important for realistic proton applications, such as fast ignition for inertial confinement fusion, medical therapy, and proton imaging.

Dynamic Clamp in Cardiac and Neuronal Systems Using RTXI

PubMed Central

Ortega, Francis A.; Butera, Robert J.; Christini, David J.; White, John A.; Dorval, Alan D.

2016-01-01

The injection of computer-simulated conductances through the dynamic clamp technique has allowed researchers to probe the intercellular and intracellular dynamics of cardiac and neuronal systems with great precision. By coupling computational models to biological systems, dynamic clamp has become a proven tool in electrophysiology with many applications, such as generating hybrid networks in neurons or simulating channelopathies in cardiomyocytes. While its applications are broad, the approach is straightforward: synthesizing traditional patch clamp, computational modeling, and closed-loop feedback control to simulate a cellular conductance. Here, we present two example applications: artificial blocking of the inward rectifier potassium current in a cardiomyocyte and coupling of a biological neuron to a virtual neuron through a virtual synapse. The design and implementation of the necessary software to administer these dynamic clamp experiments can be difficult. In this chapter, we provide an overview of designing and implementing a dynamic clamp experiment using the Real-Time eXperiment Interface (RTXI), an open- source software system tailored for real-time biological experiments. We present two ways to achieve this using RTXI’s modular format, through the creation of a custom user-made module and through existing modules found in RTXI’s online library. PMID:25023319

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Smithe, David N.

2015-12-01

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod's field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scans over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

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

Jenkins, Thomas G., E-mail: tgjenkins@txcorp.com; Smithe, David N., E-mail: smithe@txcorp.com

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod’s field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scansmore » over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.« less

Integrated Modeling and Simulation Verification, Validation, and Accreditation Strategy for Exploration Systems Mission Directorate

NASA Technical Reports Server (NTRS)

Hale, Joseph P.

2006-01-01

Models and simulations (M&S) are critical resources in the exploration of space. They support program management, systems engineering, integration, analysis, test, and operations and provide critical information and data supporting key analyses and decisions (technical, cost and schedule). Consequently, there is a clear need to establish a solid understanding of M&S strengths and weaknesses, and the bounds within which they can credibly support decision-making. Their usage requires the implementation of a rigorous approach to verification, validation and accreditation (W&A) and establishment of formal process and practices associated with their application. To ensure decision-making is suitably supported by information (data, models, test beds) from activities (studies, exercises) from M&S applications that are understood and characterized, ESMD is establishing formal, tailored W&A processes and practices. In addition, to ensure the successful application of M&S within ESMD, a formal process for the certification of analysts that use M&S is being implemented. This presentation will highlight NASA's Exploration Systems Mission Directorate (ESMD) management approach for M&S W&A to ensure decision-makers receive timely information on the model's fidelity, credibility, and quality.

Eulerian adaptive finite-difference method for high-velocity impact and penetration problems

NASA Astrophysics Data System (ADS)

Barton, P. T.; Deiterding, R.; Meiron, D.; Pullin, D.

2013-05-01

Owing to the complex processes involved, faithful prediction of high-velocity impact events demands a simulation method delivering efficient calculations based on comprehensively formulated constitutive models. Such an approach is presented herein, employing a weighted essentially non-oscillatory (WENO) method within an adaptive mesh refinement (AMR) framework for the numerical solution of hyperbolic partial differential equations. Applied widely in computational fluid dynamics, these methods are well suited to the involved locally non-smooth finite deformations, circumventing any requirement for artificial viscosity functions for shock capturing. Application of the methods is facilitated through using a model of solid dynamics based upon hyper-elastic theory comprising kinematic evolution equations for the elastic distortion tensor. The model for finite inelastic deformations is phenomenologically equivalent to Maxwell's model of tangential stress relaxation. Closure relations tailored to the expected high-pressure states are proposed and calibrated for the materials of interest. Sharp interface resolution is achieved by employing level-set functions to track boundary motion, along with a ghost material method to capture the necessary internal boundary conditions for material interactions and stress-free surfaces. The approach is demonstrated for the simulation of high velocity impacts of steel projectiles on aluminium target plates in two and three dimensions.

Power and sample-size estimation for microbiome studies using pairwise distances and PERMANOVA.

PubMed

Kelly, Brendan J; Gross, Robert; Bittinger, Kyle; Sherrill-Mix, Scott; Lewis, James D; Collman, Ronald G; Bushman, Frederic D; Li, Hongzhe

2015-08-01

The variation in community composition between microbiome samples, termed beta diversity, can be measured by pairwise distance based on either presence-absence or quantitative species abundance data. PERMANOVA, a permutation-based extension of multivariate analysis of variance to a matrix of pairwise distances, partitions within-group and between-group distances to permit assessment of the effect of an exposure or intervention (grouping factor) upon the sampled microbiome. Within-group distance and exposure/intervention effect size must be accurately modeled to estimate statistical power for a microbiome study that will be analyzed with pairwise distances and PERMANOVA. We present a framework for PERMANOVA power estimation tailored to marker-gene microbiome studies that will be analyzed by pairwise distances, which includes: (i) a novel method for distance matrix simulation that permits modeling of within-group pairwise distances according to pre-specified population parameters; (ii) a method to incorporate effects of different sizes within the simulated distance matrix; (iii) a simulation-based method for estimating PERMANOVA power from simulated distance matrices; and (iv) an R statistical software package that implements the above. Matrices of pairwise distances can be efficiently simulated to satisfy the triangle inequality and incorporate group-level effects, which are quantified by the adjusted coefficient of determination, omega-squared (ω2). From simulated distance matrices, available PERMANOVA power or necessary sample size can be estimated for a planned microbiome study. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Improving and Understanding Climate Models: Scale-Aware Parameterization of Cloud Water Inhomogeneity and Sensitivity of MJO Simulation to Physical Parameters in a Convection Scheme

NASA Astrophysics Data System (ADS)

Xie, Xin

Microphysics and convection parameterizations are two key components in a climate model to simulate realistic climatology and variability of cloud distribution and the cycles of energy and water. When a model has varying grid size or simulations have to be run with different resolutions, scale-aware parameterization is desirable so that we do not have to tune model parameters tailored to a particular grid size. The subgrid variability of cloud hydrometers is known to impact microphysics processes in climate models and is found to highly depend on spatial scale. A scale- aware liquid cloud subgrid variability parameterization is derived and implemented in the Community Earth System Model (CESM) in this study using long-term radar-based ground measurements from the Atmospheric Radiation Measurement (ARM) program. When used in the default CESM1 with the finite-volume dynamic core where a constant liquid inhomogeneity parameter was assumed, the newly developed parameterization reduces the cloud inhomogeneity in high latitudes and increases it in low latitudes. This is due to both the smaller grid size in high latitudes, and larger grid size in low latitudes in the longitude-latitude grid setting of CESM as well as the variation of the stability of the atmosphere. The single column model and general circulation model (GCM) sensitivity experiments show that the new parameterization increases the cloud liquid water path in polar regions and decreases it in low latitudes. Current CESM1 simulation suffers from the bias of both the pacific double ITCZ precipitation and weak Madden-Julian oscillation (MJO). Previous studies show that convective parameterization with multiple plumes may have the capability to alleviate such biases in a more uniform and physical way. A multiple-plume mass flux convective parameterization is used in Community Atmospheric Model (CAM) to investigate the sensitivity of MJO simulations. We show that MJO simulation is sensitive to entrainment rate specification. We found that shallow plumes can generate and sustain the MJO propagation in the model.

Particle-in-cell simulation of ion energy distributions on an electrode by applying tailored bias waveforms in the afterglow of a pulsed plasma

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

Diomede, Paola; Economou, Demetre J.; Donnelly, Vincent M.

2011-04-15

A Particle-in-Cell simulation with Monte Carlo Collisions (PIC-MCC) was conducted of the application of tailored DC voltage steps on an electrode, during the afterglow of a capacitively-coupled pulsed-plasma argon discharge, to control the energy of ions incident on the counter-electrode. Staircase voltage waveforms with selected amplitudes and durations resulted in ion energy distributions (IED) with distinct narrow peaks, with controlled energies and fraction of ions under each peak. Temporary electron heating at the moment of application of a DC voltage step did not influence the electron density decay in the afterglow. The IED peaks were 'smeared' by collisions, especially atmore » the higher pressures of the range (10-40 mTorr) investigated.« less

PENGEOM-A general-purpose geometry package for Monte Carlo simulation of radiation transport in material systems defined by quadric surfaces

NASA Astrophysics Data System (ADS)

Almansa, Julio; Salvat-Pujol, Francesc; Díaz-Londoño, Gloria; Carnicer, Artur; Lallena, Antonio M.; Salvat, Francesc

2016-02-01

The Fortran subroutine package PENGEOM provides a complete set of tools to handle quadric geometries in Monte Carlo simulations of radiation transport. The material structure where radiation propagates is assumed to consist of homogeneous bodies limited by quadric surfaces. The PENGEOM subroutines (a subset of the PENELOPE code) track particles through the material structure, independently of the details of the physics models adopted to describe the interactions. Although these subroutines are designed for detailed simulations of photon and electron transport, where all individual interactions are simulated sequentially, they can also be used in mixed (class II) schemes for simulating the transport of high-energy charged particles, where the effect of soft interactions is described by the random-hinge method. The definition of the geometry and the details of the tracking algorithm are tailored to optimize simulation speed. The use of fuzzy quadric surfaces minimizes the impact of round-off errors. The provided software includes a Java graphical user interface for editing and debugging the geometry definition file and for visualizing the material structure. Images of the structure are generated by using the tracking subroutines and, hence, they describe the geometry actually passed to the simulation code.

Efficient micromagnetics for magnetic storage devices

NASA Astrophysics Data System (ADS)

Escobar Acevedo, Marco Antonio

Micromagnetics is an important component for advancing the magnetic nanostructures understanding and design. Numerous existing and prospective magnetic devices rely on micromagnetic analysis, these include hard disk drives, magnetic sensors, memories, microwave generators, and magnetic logic. The ability to examine, describe, and predict the magnetic behavior, and macroscopic properties of nanoscale magnetic systems is essential for improving the existing devices, for progressing in their understanding, and for enabling new technologies. This dissertation describes efficient micromagnetic methods as required for magnetic storage analysis. Their performance and accuracy is demonstrated by studying realistic, complex, and relevant micromagnetic system case studies. An efficient methodology for dynamic micromagnetics in large scale simulations is used to study the writing process in a full scale model of a magnetic write head. An efficient scheme, tailored for micromagnetics, to find the minimum energy state on a magnetic system is presented. This scheme can be used to calculate hysteresis loops. An efficient scheme, tailored for micromagnetics, to find the minimum energy path between two stable states on a magnetic system is presented. This minimum energy path is intimately related to the thermal stability.

Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

PubMed

Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

2015-04-01

Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties. Copyright © 2015 Elsevier Inc. All rights reserved.

Beyond δ: Tailoring marked statistics to reveal modified gravity

NASA Astrophysics Data System (ADS)

Valogiannis, Georgios; Bean, Rachel

2018-01-01

Models which attempt to explain the accelerated expansion of the universe through large-scale modifications to General Relativity (GR), must satisfy the stringent experimental constraints of GR in the solar system. Viable candidates invoke a “screening” mechanism, that dynamically suppresses deviations in high density environments, making their overall detection challenging even for ambitious future large-scale structure surveys. We present methods to efficiently simulate the non-linear properties of such theories, and consider how a series of statistics that reweight the density field to accentuate deviations from GR can be applied to enhance the overall signal-to-noise ratio in differentiating the models from GR. Our results demonstrate that the cosmic density field can yield additional, invaluable cosmological information, beyond the simple density power spectrum, that will enable surveys to more confidently discriminate between modified gravity models and ΛCDM.

SINDA/FLUINT Stratified Tank Modeling for Cryrogenic Propellant Tanks

NASA Technical Reports Server (NTRS)

Sakowski, Barbara

2014-01-01

A general purpose SINDA/FLUINT (S/F) stratified tank model was created to simulate self-pressurization and axial jet TVS; Stratified layers in the vapor and liquid are modeled using S/F lumps.; The stratified tank model was constructed to permit incorporating the following additional features:, Multiple or singular lumps in the liquid and vapor regions of the tank, Real gases (also mixtures) and compressible liquids, Venting, pressurizing, and draining, Condensation and evaporation/boiling, Wall heat transfer, Elliptical, cylindrical, and spherical tank geometries; Extensive user logic is used to allow detailed tailoring - Don't have to rebuilt everything from scratch!!; Most code input for a specific case is done through the Registers Data Block:, Lump volumes are determined through user input:; Geometric tank dimensions (height, width, etc); Liquid level could be input as either a volume percentage of fill level or actual liquid level height

Sinda/Fluint Stratfied Tank Modeling

NASA Technical Reports Server (NTRS)

Sakowski, Barbara A.

2014-01-01

A general purpose SINDA/FLUINT (S/F) stratified tank model was created and used to simulate the Ksite1 LH2 liquid self-pressurization tests as well as axial jet mixing within the liquid region of the tank. The S/F model employed the use of stratified layers, i.e. S/F lumps, in the vapor ullage as well as in the liquid region. The model was constructed to analyze a general purpose stratified tank that could incorporate the following features: Multiple or singular lumps in the liquid and vapor regions of the tank, Real gases (also mixtures) and compressible liquids, Venting, pressurizing, and draining, Condensation and evaporation/boiling, Wall heat transfer, Elliptical, cylindrical, and spherical tank geometries. Extensive user logic was used to allow for tailoring of the above features to specific cases. Most of the code input for a specific case could be done through the Registers Data Block.

The End-to-end Demonstrator for improved decision making in the water sector in Europe (EDgE)

NASA Astrophysics Data System (ADS)

Wood, Eric; Wanders, Niko; Pan, Ming; Sheffield, Justin; Samaniego, Luis; Thober, Stephan; Kumar, Rohinni; Prudhomme, Christel; Houghton-Carr, Helen

2017-04-01

High-resolution simulations of water resources from hydrological models are vital to supporting important climate services. Apart from a high level of detail, both spatially and temporally, it is important to provide simulations that consistently cover a range of timescales, from historical reanalysis to seasonal forecast and future projections. In the new EDgE project commissioned by the ECMWF (C3S) we try to fulfill these requirements. EDgE is a proof-of-concept project which combines climate data and state-of-the-art hydrological modelling to demonstrate a water-oriented information system implemented through a web application. EDgE is working with key European stakeholders representative of private and public sectors to jointly develop and tailor approaches and techniques. With these tools, stakeholders are assisted in using improved climate information in decision-making, and supported in the development of climate change adaptation and mitigation policies. Here, we present the first results of the EDgE modelling chain, which is divided into three main processes: 1) pre-processing and downscaling; 2) hydrological modelling; 3) post-processing. Consistent downscaling and bias corrections for historical simulations, seasonal forecasts and climate projections ensure that the results across scales are robust. The daily temporal resolution and 5km spatial resolution ensure locally relevant simulations. With the use of four hydrological models (PCR-GLOBWB, VIC, mHM, Noah-MP), uncertainty between models is properly addressed, while consistency is guaranteed by using identical input data for static land surface parameterizations. The forecast results are communicated to stakeholders via Sectoral Climate Impact Indicators (SCIIs) that have been created in collaboration with the end-user community of the EDgE project. The final product of this project is composed of 15 years of seasonal forecast and 10 climate change projections, all combined with four hydrological models. These unique high-resolution climate information simulations in the EDgE project provide an unprecedented information system for decision-making over Europe.

Challenges in global modeling of wetland extent and wetland methane dynamics

NASA Astrophysics Data System (ADS)

Spahni, R.; Melton, J. R.; Wania, R.; Stocker, B. D.; Zürcher, S.; Joos, F.

2012-12-01

Global wetlands are known to be climate sensitive, and are the largest natural emitters of methane (CH4). Increased wetland CH4 emissions could act as a positive feedback to future warming. Modelling of global wetland extent and wetland CH4 dynamics remains a challenge. Here we present results from the Wetland and Wetland CH4 Inter-comparison of Models Project (WETCHIMP) that investigated our present ability to simulate large scale wetland characteristics (e.g. wetland type, water table, carbon cycling, gas transport, etc.) and corresponding CH4 emissions. Ten models participated, covering the spectrum from simple to relatively complex, including models tailored either for regional or global simulations. The WETCHIMP experiments showed that while models disagree in spatial and temporal patterns of simulated CH4 emissions and wetland areal extent, they all do agree on a strong positive response to increased carbon dioxide concentrations. WETCHIMP made clear that we currently lack observation data sets that are adequate to evaluate model CH4 soil-atmosphere fluxes at a spatial scale comparable to model grid cells. Thus there are substantial parameter and structural uncertainties in large-scale CH4 emission models. As an illustration of the implications of CH4 emissions on climate we show results of the LPX-Bern model, as one of the models participating in WETCHIMP. LPX-Bern is forced with observed 20th century climate and climate output from an ensemble of five comprehensive climate models for a low and a high emission scenario till 2100 AD. In the high emission scenario increased substrate availability for methanogenesis due to a strong stimulation of net primary productivity, and faster soil turnover leads to an amplification of CH4 emissions with the sharpest increase in peatlands (+180% compared to present). Combined with prescribed anthropogenic CH4 emissions, simulated atmospheric CH4 concentration reaches ~4500 ppbv by 2100 AD, about 800 ppbv more than in standard IPCC scenarios. This represents a significant contribution to radiative forcing of global climate.

Spatially distributed modelling of pesticide leaching at European scale with the PyCatch modelling framework

NASA Astrophysics Data System (ADS)

Schmitz, Oliver; van der Perk, Marcel; Karssenberg, Derek; Häring, Tim; Jene, Bernhard

2017-04-01

The modelling of pesticide transport through the soil and estimating its leaching to groundwater is essential for an appropriate environmental risk assessment. Pesticide leaching models commonly used in regulatory processes often lack the capability of providing a comprehensive spatial view, as they are implemented as non-spatial point models or only use a few combinations of representative soils to simulate specific plots. Furthermore, their handling of spatial input and output data and interaction with available Geographical Information Systems tools is limited. Therefore, executing several scenarios simulating and assessing the potential leaching on national or continental scale at high resolution is rather inefficient and prohibits the straightforward identification of areas prone to leaching. We present a new pesticide leaching model component of the PyCatch framework developed in PCRaster Python, an environmental modelling framework tailored to the development of spatio-temporal models (http://www.pcraster.eu). To ensure a feasible computational runtime of large scale models, we implemented an elementary field capacity approach to model soil water. Currently implemented processes are evapotranspiration, advection, dispersion, sorption, degradation and metabolite transformation. Not yet implemented relevant additional processes such as surface runoff, snowmelt, erosion or other lateral flows can be integrated with components already implemented in PyCatch. A preliminary version of the model executes a 20-year simulation of soil water processes for Germany (20 soil layers, 1 km2 spatial resolution, and daily timestep) within half a day using a single CPU. A comparison of the soil moisture and outflow obtained from the PCRaster implementation and PELMO, a commonly used pesticide leaching model, resulted in an R2 of 0.98 for the FOCUS Hamburg scenario. We will further discuss the validation of the pesticide transport processes and show case studies applied to European countries.

Why are Tailored Messages More Effective? A Multiple Mediation Analysis of a Breast Cancer Screening Intervention.

PubMed

Jensen, Jakob D; King, Andy J; Carcioppolo, Nicholas; Davis, LaShara

2012-10-01

Past research has found that tailoring increases the persuasive effectiveness of a message. However, the observed effect has been small and the explanatory mechanism remains unknown. To address these shortcomings, a tailoring software program was created that personalized breast cancer screening pamphlets according to risk, health belief model constructs, and visual preference. Women aged 40 and older ( N = 119) participated in a 2 (tailored vs. stock message) × 2 (charts/graphs vs. illustrated visuals) × 3 (nested replications of the visuals) experiment. Participants provided with tailored illustrated pamphlets expressed greater breast cancer screening intentions than those provided with other pamphlets. In a test of 10 different mediators, perceived message relevance was found to fully mediate the tailoring × visual interaction.

Flexible Environments for Grand-Challenge Simulation in Climate Science

NASA Astrophysics Data System (ADS)

Pierrehumbert, R.; Tobis, M.; Lin, J.; Dieterich, C.; Caballero, R.

2004-12-01

Current climate models are monolithic codes, generally in Fortran, aimed at high-performance simulation of the modern climate. Though they adequately serve their designated purpose, they present major barriers to application in other problems. Tailoring them to paleoclimate of planetary simulations, for instance, takes months of work. Theoretical studies, where one may want to remove selected processes or break feedback loops, are similarly hindered. Further, current climate models are of little value in education, since the implementation of textbook concepts and equations in the code is obscured by technical detail. The Climate Systems Center at the University of Chicago seeks to overcome these limitations by bringing modern object-oriented design into the business of climate modeling. Our ultimate goal is to produce an end-to-end modeling environment capable of configuring anything from a simple single-column radiative-convective model to a full 3-D coupled climate model using a uniform, flexible interface. Technically, the modeling environment is implemented as a Python-based software component toolkit: key number-crunching procedures are implemented as discrete, compiled-language components 'glued' together and co-ordinated by Python, combining the high performance of compiled languages and the flexibility and extensibility of Python. We are incrementally working towards this final objective following a series of distinct, complementary lines. We will present an overview of these activities, including PyOM, a Python-based finite-difference ocean model allowing run-time selection of different Arakawa grids and physical parameterizations; CliMT, an atmospheric modeling toolkit providing a library of 'legacy' radiative, convective and dynamical modules which can be knitted into dynamical models, and PyCCSM, a version of NCAR's Community Climate System Model in which the coupler and run-control architecture are re-implemented in Python, augmenting its flexibility and adaptability.

Optimizing Nanoscale Quantitative Optical Imaging of Subfield Scattering Targets

PubMed Central

Henn, Mark-Alexander; Barnes, Bryan M.; Zhou, Hui; Sohn, Martin; Silver, Richard M.

2016-01-01

The full 3-D scattered field above finite sets of features has been shown to contain a continuum of spatial frequency information, and with novel optical microscopy techniques and electromagnetic modeling, deep-subwavelength geometrical parameters can be determined. Similarly, by using simulations, scattering geometries and experimental conditions can be established to tailor scattered fields that yield lower parametric uncertainties while decreasing the number of measurements and the area of such finite sets of features. Such optimized conditions are reported through quantitative optical imaging in 193 nm scatterfield microscopy using feature sets up to four times smaller in area than state-of-the-art critical dimension targets. PMID:27805660

Magnetic flux amplification by Lenz lenses.

PubMed

Schoenmaker, J; Pirota, K R; Teixeira, J C

2013-08-01

Tailoring magnetic flux distribution is highly desirable in a wide range of applications such as magnetic sensors and biomedicine. In this paper we study the manipulation of induced currents in passive devices in order to engineer the distribution of magnetic flux intensity in a given region. We propose two different approaches, one based on especially designed wire loops (Lenz law) and the other based on solid conductive pieces (eddy currents). The gain of such devices is mainly determined by geometry giving perspective of high amplification. We consistently modeled, simulated, and executed the proposed devices. Doubled magnetic flux intensity is demonstrated experimentally for a moderate aspect ratio.

Magnetic flux amplification by Lenz lenses

NASA Astrophysics Data System (ADS)

Schoenmaker, J.; Pirota, K. R.; Teixeira, J. C.

2013-08-01

Tailoring magnetic flux distribution is highly desirable in a wide range of applications such as magnetic sensors and biomedicine. In this paper we study the manipulation of induced currents in passive devices in order to engineer the distribution of magnetic flux intensity in a given region. We propose two different approaches, one based on especially designed wire loops (Lenz law) and the other based on solid conductive pieces (eddy currents). The gain of such devices is mainly determined by geometry giving perspective of high amplification. We consistently modeled, simulated, and executed the proposed devices. Doubled magnetic flux intensity is demonstrated experimentally for a moderate aspect ratio.

Mixtures of GAMs for habitat suitability analysis with overdispersed presence / absence data

PubMed Central

Pleydell, David R.J.; Chrétien, Stéphane

2009-01-01

A new approach to species distribution modelling based on unsupervised classification via a finite mixture of GAMs incorporating habitat suitability curves is proposed. A tailored EM algorithm is outlined for computing maximum likelihood estimates. Several submodels incorporating various parameter constraints are explored. Simulation studies confirm, that under certain constraints, the habitat suitability curves are recovered with good precision. The method is also applied to a set of real data concerning presence/absence of observable small mammal indices collected on the Tibetan plateau. The resulting classification was found to correspond to species-level differences in habitat preference described in previous ecological work. PMID:20401331

Room temperature synthesis of agarose/sol-gel glass pieces with tailored interconnected porosity.

PubMed

Cabañas, M V; Peña, J; Román, J; Vallet-Regí, M

2006-09-01

An original shaping technique has been applied to prepare porous bodies at room temperature. Agarose, a biodegradable polysaccharide, was added as binder of a sol-gel glass in powder form, yielding an easy to mold paste. Interconnected tailored porous bodies can be straightforwardly prepared by pouring the slurry into a polymeric scaffold, previously designed by stereolitography, which is subsequently eliminated by alkaline dissolution at room temperature. The so obtained pieces behave like a hydrogel with an enhanced consistency that makes them machinable and easy to manipulate. These materials generate an apatite-like layer when immersed in a simulated body fluid, indicating a potential in vivo bioactivity. The proposed method can be applied to different powdered materials to produce pieces, at room temperature, with various shapes and sizes and with tailored interconnected porosity.

Effects of tailored neck-shoulder pain treatment based on a decision model guided by clinical assessments and standardized functional tests. A study protocol of a randomized controlled trial.

PubMed

Björklund, Martin; Djupsjöbacka, Mats; Svedmark, Asa; Häger, Charlotte

2012-05-20

A major problem with rehabilitation interventions for neck pain is that the condition may have multiple causes, thus a single treatment approach is seldom efficient. The present study protocol outlines a single blinded randomised controlled trial evaluating the effect of tailored treatment for neck-shoulder pain. The treatment is based on a decision model guided by standardized clinical assessment and functional tests with cut-off values. Our main hypothesis is that the tailored treatment has better short, intermediate and long-term effects than either non-tailored treatment or treatment-as-usual (TAU) on pain and function. We sub-sequentially hypothesize that tailored and non-tailored treatment both have better effect than TAU. 120 working women with minimum six weeks of nonspecific neck-shoulder pain aged 20-65, are allocated by minimisation with the factors age, duration of pain, pain intensity and disability in to the groups tailored treatment (T), non-tailored treatment (NT) or treatment-as-usual (TAU). Treatment is given to the groups T and NT for 11 weeks (27 sessions evenly distributed). An extensive presentation of the tests and treatment decision model is provided. The main treatment components are manual therapy, cranio-cervical flexion exercise and strength training, EMG-biofeedback training, treatment for cervicogenic headache, neck motor control training. A decision algorithm based on the baseline assessment determines the treatment components given to each participant of T- and NT-groups. Primary outcome measures are physical functioning (Neck Disability Index) and average pain intensity last week (Numeric Rating Scale). Secondary outcomes are general improvement (Patient Global Impression of Change scale), symptoms (Profile Fitness Mapping neck questionnaire), capacity to work in the last 6 weeks (quality and quantity) and pressure pain threshold of m. trapezius. Primary and secondary outcomes will be reported for each group with effect size and its precision. We have chosen not to include women with psychological ill-health and focus on biomedical aspects of neck pain. Future studies should aim at including psychosocial aspects in a widened treatment decision model. No important adverse events or side-effects are expected.

Tailored tools to improve pharmacotherapy in infants.

PubMed

Allegaert, Karel

2014-08-01

Extensive within-population variability is the essence of neonatal pharmacology. Despite this, infants remain one of the last therapeutic orphans. Together with additional legal initiatives, tailoring of already available tools (modeling, covariates, pharmacovigilance) may significantly improve pharmacotherapy in infants. Modeling approaches that hold the promise to improve pharmacotherapy in infants are between-compound extrapolation for compounds that undergo the same route of elimination and integration of time-varying physiology to adapt for the fast maturational changes. Besides these maturational covariates (size, age), newly emerging covariates relate to novel treatment modalities (extracorporeal circulation, hypothermia), environmental issues (microbiome, critical illness) or pharmacogenetics. All these covariates interact with the maturational variation. Finally, pharmacovigilance also needs to be tailored to the characteristics of this population. This relates to preventive strategies, signal detection and assessment of causality. Knowledge on pharmacotherapy in infants is lagging. Tailoring available tools to the specific characteristics (maturation) and clinical needs (newly emerging covariates) of infants is feasible but needs creativity and a multidisciplinary collaboration between modelers, academia, clinical researchers and, obviously, the public, including parents.

Towards social autonomous vehicles: Efficient collision avoidance scheme using Richardson's arms race model.

PubMed

Riaz, Faisal; Niazi, Muaz A

2017-01-01

This paper presents the concept of a social autonomous agent to conceptualize such Autonomous Vehicles (AVs), which interacts with other AVs using social manners similar to human behavior. The presented AVs also have the capability of predicting intentions, i.e. mentalizing and copying the actions of each other, i.e. mirroring. Exploratory Agent Based Modeling (EABM) level of the Cognitive Agent Based Computing (CABC) framework has been utilized to design the proposed social agent. Furthermore, to emulate the functionality of mentalizing and mirroring modules of proposed social agent, a tailored mathematical model of the Richardson's arms race model has also been presented. The performance of the proposed social agent has been validated at two levels-firstly it has been simulated using NetLogo, a standard agent-based modeling tool and also, at a practical level using a prototype AV. The simulation results have confirmed that the proposed social agent-based collision avoidance strategy is 78.52% more efficient than Random walk based collision avoidance strategy in congested flock-like topologies. Whereas practical results have confirmed that the proposed scheme can avoid rear end and lateral collisions with the efficiency of 99.876% as compared with the IEEE 802.11n-based existing state of the art mirroring neuron-based collision avoidance scheme.

Towards social autonomous vehicles: Efficient collision avoidance scheme using Richardson’s arms race model

PubMed Central

Niazi, Muaz A.

2017-01-01

This paper presents the concept of a social autonomous agent to conceptualize such Autonomous Vehicles (AVs), which interacts with other AVs using social manners similar to human behavior. The presented AVs also have the capability of predicting intentions, i.e. mentalizing and copying the actions of each other, i.e. mirroring. Exploratory Agent Based Modeling (EABM) level of the Cognitive Agent Based Computing (CABC) framework has been utilized to design the proposed social agent. Furthermore, to emulate the functionality of mentalizing and mirroring modules of proposed social agent, a tailored mathematical model of the Richardson’s arms race model has also been presented. The performance of the proposed social agent has been validated at two levels–firstly it has been simulated using NetLogo, a standard agent-based modeling tool and also, at a practical level using a prototype AV. The simulation results have confirmed that the proposed social agent-based collision avoidance strategy is 78.52% more efficient than Random walk based collision avoidance strategy in congested flock-like topologies. Whereas practical results have confirmed that the proposed scheme can avoid rear end and lateral collisions with the efficiency of 99.876% as compared with the IEEE 802.11n-based existing state of the art mirroring neuron-based collision avoidance scheme. PMID:29040294

Assessing college students' attitudes toward responsible drinking messages to identify promising binge drinking intervention strategies.

PubMed

Pilling, Valerie K; Brannon, Laura A

2007-01-01

Health communication appeals were utilized through a Web site simulation to evaluate the potential effectiveness of 3 intervention approaches to promote responsible drinking among college students. Within the Web site simulation, participants were exposed to a persuasive message designed to represent either the generalized social norms advertising approach (based on others' behavior), the personalized behavioral feedback approach (tailored to the individual's behavior), or the schema-based approach (tailored to the individual's self-schema, or personality). A control group was exposed to a message that was designed to be neutral (it was designed to discourage heavy drinking, but it did not represent any of the previously mentioned approaches). It was hypothesized that the more personalized the message was to the individual, the more favorable college students' attitudes would be toward the responsible drinking message. Participants receiving the more personalized messages did report more favorable attitudes toward the responsible drinking message.

An efficient method for supercontinuum generation in dispersion-tailored Lead-silicate fiber taper

NASA Astrophysics Data System (ADS)

Chen, Z.; Ma, S.; Dutta, N. K.

2010-08-01

In this paper we theoretically study the broadband mid-IR supercontinuum generation (SCG) in a lead-silicate microstructured fiber (the glass for simulation is SF57). The total dispersion of the fiber can be tailored by changing the core diameter of the fiber so that dispersion profiles with two zero dispersion wavelengths (ZDWs) can be obtained. Numerical simulations of the SCG process in a 4 cm long SF57 fiber/fiber taper seeded by femto-second pulses at telecommunications wavelength of 1.55 µm are presented. The results show that a fiber taper features a continuous shift of the longer zero dispersion wavelength. This extends the generated continuum to a longer wavelength region compared to fibers with fixed ZDWs. The phase-matching condition (PMC) is continuously modified in the fiber taper and the bandwidth of the generated dispersive waves (DWs) is significantly broadened.

Simulations of laser undulators

NASA Astrophysics Data System (ADS)

Milton, S. V.; Biedron, S. B.; Einstein, J. E.

2016-09-01

We perform a series of single-pass, one-D free-electron laser simulations based on an electron beam from a standard linear accelerator coupled with a so-called laser undulator, a specialized device that is more compact than a standard undulator based on magnetic materials. The longitudinal field profiles of such lasers undulators are intriguing as one must and can tailor the profile for the needs of creating the virtual undulator. We present and discuss several results of recent simulations and our future steps.

Virtual reality in laparoscopic surgery.

PubMed

Uranüs, Selman; Yanik, Mustafa; Bretthauer, Georg

2004-01-01

Although the many advantages of laparoscopic surgery have made it an established technique, training in laparoscopic surgery posed problems not encountered in conventional surgical training. Virtual reality simulators open up new perspectives for training in laparoscopic surgery. Under realistic conditions in real time, trainees can tailor their sessions with the VR simulator to suit their needs and goals, and can repeat exercises as often as they wish. VR simulators reduce the number of experimental animals needed for training purposes and are suited to the pursuit of research in laparoscopic surgery.

Spectral identification of a 90Sr source in the presence of masking nuclides using Maximum-Likelihood deconvolution

NASA Astrophysics Data System (ADS)

Neuer, Marcus J.

2013-11-01

A technique for the spectral identification of strontium-90 is shown, utilising a Maximum-Likelihood deconvolution. Different deconvolution approaches are discussed and summarised. Based on the intensity distribution of the beta emission and Geant4 simulations, a combined response matrix is derived, tailored to the β- detection process in sodium iodide detectors. It includes scattering effects and attenuation by applying a base material decomposition extracted from Geant4 simulations with a CAD model for a realistic detector system. Inversion results of measurements show the agreement between deconvolution and reconstruction. A detailed investigation with additional masking sources like 40K, 226Ra and 131I shows that a contamination of strontium can be found in the presence of these nuisance sources. Identification algorithms for strontium are presented based on the derived technique. For the implementation of blind identification, an exemplary masking ratio is calculated.

Nanoscale tailor-made membranes for precise and rapid molecular sieve separation.

PubMed

Wang, Jing; Zhu, Junyong; Zhang, Yatao; Liu, Jindun; Van der Bruggen, Bart

2017-03-02

The precise and rapid separation of different molecules from aqueous, organic solutions and gas mixtures is critical to many technologies in the context of resource-saving and sustainable development. The strength of membrane-based technologies is well recognized and they are extensively applied as cost-effective, highly efficient separation techniques. Currently, empirical-based approaches, lacking an accurate nanoscale control, are used to prepare the most advanced membranes. In contrast, nanoscale control renders the membrane molecular specificity (sub-2 nm) necessary for efficient and rapid molecular separation. Therefore, as a growing trend in membrane technology, the field of nanoscale tailor-made membranes is highlighted in this review. An in-depth analysis of the latest advances in tailor-made membranes for precise and rapid molecule sieving is given, along with an outlook to future perspectives of such membranes. Special attention is paid to the established processing strategies, as well as the application of molecular dynamics (MD) simulation in nanoporous membrane design. This review will provide useful guidelines for future research in the development of nanoscale tailor-made membranes with a precise and rapid molecular sieve separation property.

Homelessness and drug misuse in developing countries: A mathematical approach

NASA Astrophysics Data System (ADS)

Bhunu, C. P.

2014-06-01

Homelessness and drug-misuse are known to exist like siamese twins. We present a model to capture the dynamics in the growth in the number of homeless (street kids and street adults) and drug misusers. The reproduction numbers of the model are determined and analyzed. Results from this study suggests that adult peer pressure plays a more significant role in the growth of drug-misuse and the number of street kids. This result suggests that in resource constrained settings intervention strategies should be tailor made to target adults whose behaviour influence others to misuse drugs and abuse children. Furthermore, numerical simulations show that homelessness and drug-misuse positively enhances, the growth of each other. Thus, to effectively control these two social problems require strategies targeting both of them.

Computer-Supported Feedback Message Tailoring for Healthcare Providers in Malawi: Proof-of-Concept.

PubMed

Landis-Lewis, Zach; Douglas, Gerald P; Hochheiser, Harry; Kam, Matthew; Gadabu, Oliver; Bwanali, Mwatha; Jacobson, Rebecca S

2015-01-01

Although performance feedback has the potential to help clinicians improve the quality and safety of care, healthcare organizations generally lack knowledge about how this guidance is best provided. In low-resource settings, tools for theory-informed feedback tailoring may enhance limited clinical supervision resources. Our objectives were to establish proof-of-concept for computer-supported feedback message tailoring in Malawi, Africa. We conducted this research in five stages: clinical performance measurement, modeling the influence of feedback on antiretroviral therapy (ART) performance, creating a rule-based message tailoring process, generating tailored messages for recipients, and finally analysis of performance and message tailoring data. We retrospectively generated tailored messages for 7,448 monthly performance reports from 11 ART clinics. We found that tailored feedback could be routinely generated for four guideline-based performance indicators, with 35% of reports having messages prioritized to optimize the effect of feedback. This research establishes proof-of-concept for a novel approach to improving the use of clinical performance feedback in low-resource settings and suggests possible directions for prospective evaluations comparing alternative designs of feedback messages.

Design of an Adaptive Power Regulation Mechanism and a Nozzle for a Hydroelectric Power Plant Turbine Test Rig

NASA Astrophysics Data System (ADS)

Mert, Burak; Aytac, Zeynep; Tascioglu, Yigit; Celebioglu, Kutay; Aradag, Selin; ETU Hydro Research Center Team

2014-11-01

This study deals with the design of a power regulation mechanism for a Hydroelectric Power Plant (HEPP) model turbine test system which is designed to test Francis type hydroturbines up to 2 MW power with varying head and flow(discharge) values. Unlike the tailor made regulation mechanisms of full-sized, functional HEPPs; the design for the test system must be easily adapted to various turbines that are to be tested. In order to achieve this adaptability, a dynamic simulation model is constructed in MATLAB/Simulink SimMechanics. This model acquires geometric data and hydraulic loading data of the regulation system from Autodesk Inventor CAD models and Computational Fluid Dynamics (CFD) analysis respectively. The dynamic model is explained and case studies of two different HEPPs are performed for validation. CFD aided design of the turbine guide vanes, which is used as input for the dynamic model, is also presented. This research is financially supported by Turkish Ministry of Development.

Shock-Compressed Hydrogen

NASA Astrophysics Data System (ADS)

Bickham, S. R.; Collins, L. A.; Kress, J. D.; Lenosky, T. J.

1999-06-01

To investigate recent gas-gun and laser experiments on hydrogen at elevated temperatures and high densities, we have performed quantum molecular dynamics simulations using a variety of sophisticated models, ranging from tight-binding(TB) to density functional(DF)(T.J. Lenosky, J.D. Kress, L.A. Collins, and I. Kwon Phys. Rev. B 55), R11907(1997) and references therein.. The TB models have been especially tailored to reproduce experimental findings, such as Diamond-Anvil Cell data, and ab initio calculations, such as H_2, H_3, and H4 potential energy surfaces. The DF calculations have employed the local-density approximation(LDA) as well as generalized gradient corrections(GGA) with large numbers of plane-waves ( ~10^5) that represent a very broad range of excited and continuum electronic states. Good agreement obtains among all these models. The simulations exhibit a rapidly rising electrical conductivity at low temperatures and high pressures in good agreement with the gas-gun results. This conduction property stems from a mobility of the electrons provided principally by the dissociated monomers. The Hugoniot for the conditions of the laser experiment, generated from the TB Equation-of-State, shows a maximum compression of around four instead of the observed six. We also report optical properties of the hydrogen media.

Computer aided design of nano-structured materials with tailored ionic conductivities.

PubMed

Sayle, Dean C; Doig, James A; Parker, Stephen C; Watson, Graeme W; Sayle, Thi X T

2005-01-07

We show, using simulation techniques, that the high ionic conductivity in BaF2/CaF2 heterolayers is because the interfaces reduce the activation energy barriers to mobility and increase the number of charge carriers.

Power and sample-size estimation for microbiome studies using pairwise distances and PERMANOVA

PubMed Central

Kelly, Brendan J.; Gross, Robert; Bittinger, Kyle; Sherrill-Mix, Scott; Lewis, James D.; Collman, Ronald G.; Bushman, Frederic D.; Li, Hongzhe

2015-01-01

Motivation: The variation in community composition between microbiome samples, termed beta diversity, can be measured by pairwise distance based on either presence–absence or quantitative species abundance data. PERMANOVA, a permutation-based extension of multivariate analysis of variance to a matrix of pairwise distances, partitions within-group and between-group distances to permit assessment of the effect of an exposure or intervention (grouping factor) upon the sampled microbiome. Within-group distance and exposure/intervention effect size must be accurately modeled to estimate statistical power for a microbiome study that will be analyzed with pairwise distances and PERMANOVA. Results: We present a framework for PERMANOVA power estimation tailored to marker-gene microbiome studies that will be analyzed by pairwise distances, which includes: (i) a novel method for distance matrix simulation that permits modeling of within-group pairwise distances according to pre-specified population parameters; (ii) a method to incorporate effects of different sizes within the simulated distance matrix; (iii) a simulation-based method for estimating PERMANOVA power from simulated distance matrices; and (iv) an R statistical software package that implements the above. Matrices of pairwise distances can be efficiently simulated to satisfy the triangle inequality and incorporate group-level effects, which are quantified by the adjusted coefficient of determination, omega-squared (ω2). From simulated distance matrices, available PERMANOVA power or necessary sample size can be estimated for a planned microbiome study. Availability and implementation: http://github.com/brendankelly/micropower. Contact: brendank@mail.med.upenn.edu or hongzhe@upenn.edu PMID:25819674

MDWiZ: a platform for the automated translation of molecular dynamics simulations.

PubMed

Rusu, Victor H; Horta, Vitor A C; Horta, Bruno A C; Lins, Roberto D; Baron, Riccardo

2014-03-01

A variety of popular molecular dynamics (MD) simulation packages were independently developed in the last decades to reach diverse scientific goals. However, such non-coordinated development of software, force fields, and analysis tools for molecular simulations gave rise to an array of software formats and arbitrary conventions for routine preparation and analysis of simulation input and output data. Different formats and/or parameter definitions are used at each stage of the modeling process despite largely contain redundant information between alternative software tools. Such Babel of languages that cannot be easily and univocally translated one into another poses one of the major technical obstacles to the preparation, translation, and comparison of molecular simulation data that users face on a daily basis. Here, we present the MDWiZ platform, a freely accessed online portal designed to aid the fast and reliable preparation and conversion of file formats that allows researchers to reproduce or generate data from MD simulations using different setups, including force fields and models with different underlying potential forms. The general structure of MDWiZ is presented, the features of version 1.0 are detailed, and an extensive validation based on GROMACS to LAMMPS conversion is presented. We believe that MDWiZ will be largely useful to the molecular dynamics community. Such fast format and force field exchange for a given system allows tailoring the chosen system to a given computer platform and/or taking advantage of a specific capabilities offered by different software engines. Copyright © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

A proposed Kalman filter algorithm for estimation of unmeasured output variables for an F100 turbofan engine

NASA Technical Reports Server (NTRS)

Alag, Gurbux S.; Gilyard, Glenn B.

1990-01-01

To develop advanced control systems for optimizing aircraft engine performance, unmeasurable output variables must be estimated. The estimation has to be done in an uncertain environment and be adaptable to varying degrees of modeling errors and other variations in engine behavior over its operational life cycle. This paper represented an approach to estimate unmeasured output variables by explicitly modeling the effects of off-nominal engine behavior as biases on the measurable output variables. A state variable model accommodating off-nominal behavior is developed for the engine, and Kalman filter concepts are used to estimate the required variables. Results are presented from nonlinear engine simulation studies as well as the application of the estimation algorithm on actual flight data. The formulation presented has a wide range of application since it is not restricted or tailored to the particular application described.

Virtual optical network mapping and core allocation in elastic optical networks using multi-core fibers

NASA Astrophysics Data System (ADS)

Xuan, Hejun; Wang, Yuping; Xu, Zhanqi; Hao, Shanshan; Wang, Xiaoli

2017-11-01

Virtualization technology can greatly improve the efficiency of the networks by allowing the virtual optical networks to share the resources of the physical networks. However, it will face some challenges, such as finding the efficient strategies for virtual nodes mapping, virtual links mapping and spectrum assignment. It is even more complex and challenging when the physical elastic optical networks using multi-core fibers. To tackle these challenges, we establish a constrained optimization model to determine the optimal schemes of optical network mapping, core allocation and spectrum assignment. To solve the model efficiently, tailor-made encoding scheme, crossover and mutation operators are designed. Based on these, an efficient genetic algorithm is proposed to obtain the optimal schemes of the virtual nodes mapping, virtual links mapping, core allocation. The simulation experiments are conducted on three widely used networks, and the experimental results show the effectiveness of the proposed model and algorithm.

Turing pattern dynamics and adaptive discretization for a super-diffusive Lotka-Volterra model.

PubMed

Bendahmane, Mostafa; Ruiz-Baier, Ricardo; Tian, Canrong

2016-05-01

In this paper we analyze the effects of introducing the fractional-in-space operator into a Lotka-Volterra competitive model describing population super-diffusion. First, we study how cross super-diffusion influences the formation of spatial patterns: a linear stability analysis is carried out, showing that cross super-diffusion triggers Turing instabilities, whereas classical (self) super-diffusion does not. In addition we perform a weakly nonlinear analysis yielding a system of amplitude equations, whose study shows the stability of Turing steady states. A second goal of this contribution is to propose a fully adaptive multiresolution finite volume method that employs shifted Grünwald gradient approximations, and which is tailored for a larger class of systems involving fractional diffusion operators. The scheme is aimed at efficient dynamic mesh adaptation and substantial savings in computational burden. A numerical simulation of the model was performed near the instability boundaries, confirming the behavior predicted by our analysis.

A control systems engineering approach for adaptive behavioral interventions: illustration with a fibromyalgia intervention.

PubMed

Deshpande, Sunil; Rivera, Daniel E; Younger, Jarred W; Nandola, Naresh N

2014-09-01

The term adaptive intervention has been used in behavioral medicine to describe operationalized and individually tailored strategies for prevention and treatment of chronic, relapsing disorders. Control systems engineering offers an attractive means for designing and implementing adaptive behavioral interventions that feature intensive measurement and frequent decision-making over time. This is illustrated in this paper for the case of a low-dose naltrexone treatment intervention for fibromyalgia. System identification methods from engineering are used to estimate dynamical models from daily diary reports completed by participants. These dynamical models then form part of a model predictive control algorithm which systematically decides on treatment dosages based on measurements obtained under real-life conditions involving noise, disturbances, and uncertainty. The effectiveness and implications of this approach for behavioral interventions (in general) and pain treatment (in particular) are demonstrated using informative simulations.

The tailored inner space of TiO2 electrodes via a 30 second wet etching process: high efficiency solid-state perovskite solar cells.

PubMed

Kwon, Jeong; Kim, Sung June; Park, Jong Hyoek

2015-06-28

We fabricated a perovskite solar cell with enhanced device efficiency based on the tailored inner space of the TiO2 electrode by utilizing a very short chemical etching process. It was found that the mesoporous TiO2 photoanode treated with a HF solution exhibited remarkably enhanced power conversion efficiencies under simulated AM 1.5G one sun illumination. The controlled inner space and morphology of the etched TiO2 electrode provide an optimized space for perovskite sensitizers and infiltration of a hole transport layer without sacrificing its original electron transport ability, which resulted in higher JSC, FF and VOC values. This simple platform provides new opportunities for tailoring the microstructure of the TiO2 electrode and has great potential in various optoelectronic devices utilizing metal oxide nanostructures.

Tailored Algorithm for Sensitivity Enhancement of Gas Concentration Sensors Based on Tunable Laser Absorption Spectroscopy.

PubMed

Vargas-Rodriguez, Everardo; Guzman-Chavez, Ana Dinora; Baeza-Serrato, Roberto

2018-06-04

In this work, a novel tailored algorithm to enhance the overall sensitivity of gas concentration sensors based on the Direct Absorption Tunable Laser Absorption Spectroscopy (DA-ATLAS) method is presented. By using this algorithm, the sensor sensitivity can be custom-designed to be quasi constant over a much larger dynamic range compared with that obtained by typical methods based on a single statistics feature of the sensor signal output (peak amplitude, area under the curve, mean or RMS). Additionally, it is shown that with our algorithm, an optimal function can be tailored to get a quasi linear relationship between the concentration and some specific statistics features over a wider dynamic range. In order to test the viability of our algorithm, a basic C 2 H 2 sensor based on DA-ATLAS was implemented, and its experimental measurements support the simulated results provided by our algorithm.

myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme.

PubMed

Kasahara, Kota; Ma, Benson; Goto, Kota; Dasgupta, Bhaskar; Higo, Junichi; Fukuda, Ikuo; Mashimo, Tadaaki; Akiyama, Yutaka; Nakamura, Haruki

2016-01-01

Molecular dynamics (MD) is a promising computational approach to investigate dynamical behavior of molecular systems at the atomic level. Here, we present a new MD simulation engine named "myPresto/omegagene" that is tailored for enhanced conformational sampling methods with a non-Ewald electrostatic potential scheme. Our enhanced conformational sampling methods, e.g. , the virtual-system-coupled multi-canonical MD (V-McMD) method, replace a multi-process parallelized run with multiple independent runs to avoid inter-node communication overhead. In addition, adopting the non-Ewald-based zero-multipole summation method (ZMM) makes it possible to eliminate the Fourier space calculations altogether. The combination of these state-of-the-art techniques realizes efficient and accurate calculations of the conformational ensemble at an equilibrium state. By taking these advantages, myPresto/omegagene is specialized for the single process execution with Graphics Processing Unit (GPU). We performed benchmark simulations for the 20-mer peptide, Trp-cage, with explicit solvent. One of the most thermodynamically stable conformations generated by the V-McMD simulation is very similar to an experimentally solved native conformation. Furthermore, the computation speed is four-times faster than that of our previous simulation engine, myPresto/psygene-G. The new simulator, myPresto/omegagene, is freely available at the following URLs: http://www.protein.osaka-u.ac.jp/rcsfp/pi/omegagene/ and http://presto.protein.osaka-u.ac.jp/myPresto4/.

Tailoring periodical collections to meet institutional needs.

PubMed Central

Delman, B S

1984-01-01

A system for tailoring journal collections to meet institutional needs is described. The approach is based on the view that reference work and collection development are variant and complementary forms of the same library function; both tasks have as their objective a literature response to information problems. Utilizing the tools and procedures of the reference search in response to a specific collection development problem topic, the author created a model ranked list of relevant journals. Finally, by linking the model to certain operational and environmental factors in three different health care organizations, he tailored the collection to meet the institutions' respective information needs. PMID:6375775

Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation

NASA Astrophysics Data System (ADS)

Jones, Andrew P.; Crain, Jason; Sokhan, Vlad P.; Whitfield, Troy W.; Martyna, Glenn J.

2013-04-01

Treating both many-body polarization and dispersion interactions is now recognized as a key element in achieving the level of atomistic modeling required to reveal novel physics in complex systems. The quantum Drude oscillator (QDO), a Gaussian-based, coarse grained electronic structure model, captures both many-body polarization and dispersion and has linear scale computational complexity with system size, hence it is a leading candidate next-generation simulation method. Here, we investigate the extent to which the QDO treatment reproduces the desired long-range atomic and molecular properties. We present closed form expressions for leading order polarizabilities and dispersion coefficients and derive invariant (parameter-free) scaling relationships among multipole polarizability and many-body dispersion coefficients that arise due to the Gaussian nature of the model. We show that these “combining rules” hold to within a few percent for noble gas atoms, alkali metals, and simple (first-row hydride) molecules such as water; this is consistent with the surprising success that models with underlying Gaussian statistics often exhibit in physics. We present a diagrammatic Jastrow-type perturbation theory tailored to the QDO model that serves to illustrate the rich types of responses that the QDO approach engenders. QDO models for neon, argon, krypton, and xenon, designed to reproduce gas phase properties, are constructed and their condensed phase properties explored via linear scale diffusion Monte Carlo (DMC) and path integral molecular dynamics (PIMD) simulations. Good agreement with experimental data for structure, cohesive energy, and bulk modulus is found, demonstrating a degree of transferability that cannot be achieved using current empirical models or fully ab initio descriptions.

Model development and validation of geometrically complex eddy current coils using finite element methods

NASA Astrophysics Data System (ADS)

Brown, Alexander; Eviston, Connor

2017-02-01

Multiple FEM models of complex eddy current coil geometries were created and validated to calculate the change of impedance due to the presence of a notch. Capable realistic simulations of eddy current inspections are required for model assisted probability of detection (MAPOD) studies, inversion algorithms, experimental verification, and tailored probe design for NDE applications. An FEM solver was chosen to model complex real world situations including varying probe dimensions and orientations along with complex probe geometries. This will also enable creation of a probe model library database with variable parameters. Verification and validation was performed using other commercially available eddy current modeling software as well as experimentally collected benchmark data. Data analysis and comparison showed that the created models were able to correctly model the probe and conductor interactions and accurately calculate the change in impedance of several experimental scenarios with acceptable error. The promising results of the models enabled the start of an eddy current probe model library to give experimenters easy access to powerful parameter based eddy current models for alternate project applications.

Elucidating the mechanism of protein water channels by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Grubmuller, Helmut

2004-03-01

Aquaporins are highly selective water channels. Molecular dynamics simulations of multiple water permeation events correctly predict the measured rate and explain at the atomic level why these membrane channels are so efficient, while blocking other small molecules, ions, and even protons. High efficiency is achieved through a carefully tailored balance of hydrogen bonds that the protein substitutes for the bulk interactions; selectivity is achieved mainly by electrostatic barriers.

Aerodynamic tailoring of the Learjet Model 60 wing

NASA Technical Reports Server (NTRS)

Chandrasekharan, Reuben M.; Hawke, Veronica M.; Hinson, Michael L.; Kennelly, Robert A., Jr.; Madson, Michael D.

1993-01-01

The wing of the Learjet Model 60 was tailored for improved aerodynamic characteristics using the TRANAIR transonic full-potential computational fluid dynamics (CFD) code. A root leading edge glove and wing tip fairing were shaped to reduce shock strength, improve cruise drag and extend the buffet limit. The aerodynamic design was validated by wind tunnel test and flight test data.

BioFVM: an efficient, parallelized diffusive transport solver for 3-D biological simulations

PubMed Central

Ghaffarizadeh, Ahmadreza; Friedman, Samuel H.; Macklin, Paul

2016-01-01

Motivation: Computational models of multicellular systems require solving systems of PDEs for release, uptake, decay and diffusion of multiple substrates in 3D, particularly when incorporating the impact of drugs, growth substrates and signaling factors on cell receptors and subcellular systems biology. Results: We introduce BioFVM, a diffusive transport solver tailored to biological problems. BioFVM can simulate release and uptake of many substrates by cell and bulk sources, diffusion and decay in large 3D domains. It has been parallelized with OpenMP, allowing efficient simulations on desktop workstations or single supercomputer nodes. The code is stable even for large time steps, with linear computational cost scalings. Solutions are first-order accurate in time and second-order accurate in space. The code can be run by itself or as part of a larger simulator. Availability and implementation: BioFVM is written in C ++ with parallelization in OpenMP. It is maintained and available for download at http://BioFVM.MathCancer.org and http://BioFVM.sf.net under the Apache License (v2.0). Contact: paul.macklin@usc.edu. Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26656933

A structural model for composite rotor blades and lifting surfaces

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

Composite material systems are currently candidates for aerospace structures, primarily for the design flexibiity they offer i.e., it is possible to tailor the material and manufacturing approach to the application. Two notable examples are the wing of the Grumman/USAF/DARPA X-29 and rotor blades under development by the U.S.A. Aerostructures Directorate (AVSCOM), Langley Research Center. A working definition of elastic or structural tailoring is the use of structural concept, fiber orientation, ply stacking sequence, and a blend of materials to achieve specific performance goals. In the design process, choices of materials and dimensions are made which produce specific response characteristics which permit the selected goals to be achieved. Common choices for tailoring goals are preventing instabilities or vibration resonances or enhancing damage tolerance. An essential, enabling factor in the design of tailored composite structures is structural modeling that accurately, but simply, characterizes response. The objective of this paper is to improve the single-cell beam model for composite rotor blades or lifting surfaces and to demonstrate its usefullness in applications.

Spectral-element simulations of wave propagation in complex exploration-industry models: Mesh generation and forward simulations

NASA Astrophysics Data System (ADS)

Nissen-Meyer, T.; Luo, Y.; Morency, C.; Tromp, J.

2008-12-01

Seismic-wave propagation in exploration-industry settings has seen major research and development efforts for decades, yet large-scale applications have often been limited to 2D or 3D finite-difference, (visco- )acoustic wave propagation due to computational limitations. We explore the possibility of including all relevant physical signatures in the wavefield using the spectral- element method (SPECFEM3D, SPECFEM2D), thereby accounting for acoustic, (visco-)elastic, poroelastic, anisotropic wave propagation in meshes which honor all crucial discontinuities. Mesh design is the crux of the problem, and we use CUBIT (Sandia Laboratories) to generate unstructured quadrilateral 2D and hexahedral 3D meshes for these complex background models. While general hexahedral mesh generation is an unresolved problem, we are able to accommodate most of the relevant settings (e.g., layer-cake models, salt bodies, overthrusting faults, and strong topography) with respectively tailored workflows. 2D simulations show localized, characteristic wave effects due to these features that shall be helpful in designing survey acquisition geometries in a relatively economic fashion. We address some of the fundamental issues this comprehensive modeling approach faces regarding its feasibility: Assessing geological structures in terms of the necessity to honor the major structural units, appropriate velocity model interpolation, quality control of the resultant mesh, and computational cost for realistic settings up to frequencies of 40 Hz. The solution to this forward problem forms the basis for subsequent 2D and 3D adjoint tomography within this context, which is the subject of a companion paper.

Effects of tailored neck-shoulder pain treatment based on a decision model guided by clinical assessments and standardized functional tests. A study protocol of a randomized controlled trial

PubMed Central

2012-01-01

Background A major problem with rehabilitation interventions for neck pain is that the condition may have multiple causes, thus a single treatment approach is seldom efficient. The present study protocol outlines a single blinded randomised controlled trial evaluating the effect of tailored treatment for neck-shoulder pain. The treatment is based on a decision model guided by standardized clinical assessment and functional tests with cut-off values. Our main hypothesis is that the tailored treatment has better short, intermediate and long-term effects than either non-tailored treatment or treatment-as-usual (TAU) on pain and function. We sub-sequentially hypothesize that tailored and non-tailored treatment both have better effect than TAU. Methods/Design 120 working women with minimum six weeks of nonspecific neck-shoulder pain aged 20–65, are allocated by minimisation with the factors age, duration of pain, pain intensity and disability in to the groups tailored treatment (T), non-tailored treatment (NT) or treatment-as-usual (TAU). Treatment is given to the groups T and NT for 11 weeks (27 sessions evenly distributed). An extensive presentation of the tests and treatment decision model is provided. The main treatment components are manual therapy, cranio-cervical flexion exercise and strength training, EMG-biofeedback training, treatment for cervicogenic headache, neck motor control training. A decision algorithm based on the baseline assessment determines the treatment components given to each participant of T- and NT-groups. Primary outcome measures are physical functioning (Neck Disability Index) and average pain intensity last week (Numeric Rating Scale). Secondary outcomes are general improvement (Patient Global Impression of Change scale), symptoms (Profile Fitness Mapping neck questionnaire), capacity to work in the last 6 weeks (quality and quantity) and pressure pain threshold of m. trapezius. Primary and secondary outcomes will be reported for each group with effect size and its precision. Discussion We have chosen not to include women with psychological ill-health and focus on biomedical aspects of neck pain. Future studies should aim at including psychosocial aspects in a widened treatment decision model. No important adverse events or side-effects are expected. Trial registration Current Controlled Trials registration ISRCTN49348025. PMID:22607546

Beam-dynamic effects at the CMS BRIL van der Meer scans

NASA Astrophysics Data System (ADS)

Babaev, A.

2018-03-01

The CMS Beam Radiation Instrumentation and Luminosity Project (BRIL) is responsible for the simulation and measurement of luminosity, beam conditions and radiation fields in the CMS experiment. The project is engaged in operating and developing new detectors (luminometers), adequate for the experimental conditions associated with high values of instantaneous luminosity delivered by the CERN LHC . BRIL operates several detectors based on different physical principles and technologies. Precise and accurate measurements of the delivered luminosity is of paramount importance for the CMS physics program. The absolute calibration of luminosity is achieved by the van der Meer method, which is carried out under specially tailored conditions. This paper presents models used to simulate of beam-dynamic effects arising due to the electromagnetic interaction of colliding bunches. These effects include beam-beam deflection and dynamic-β effect. Both effects are important to luminosity measurements and influence calibration constants at the level of 1-2%. The simulations are carried out based on 2016 CMS van der Meer scan data for proton-proton collisions at a center-of-mass energy of 13 TeV.

Development of a Fully Automated, Web-Based, Tailored Intervention Promoting Regular Physical Activity Among Insufficiently Active Adults With Type 2 Diabetes: Integrating the I-Change Model, Self-Determination Theory, and Motivational Interviewing Components

PubMed Central

Moreau, Michel; Gagnon, Marie-Pierre

2015-01-01

Background Type 2 diabetes is a major challenge for Canadian public health authorities, and regular physical activity is a key factor in the management of this disease. Given that fewer than half of people with type 2 diabetes in Canada are sufficiently active to meet the recommendations, effective programs targeting the adoption of regular physical activity (PA) are in demand for this population. Many researchers argue that Web-based, tailored interventions targeting PA are a promising and effective avenue for sedentary populations like Canadians with type 2 diabetes, but few have described the detailed development of this kind of intervention. Objective This paper aims to describe the systematic development of the Web-based, tailored intervention, Diabète en Forme, promoting regular aerobic PA among adult Canadian francophones with type 2 diabetes. This paper can be used as a reference for health professionals interested in developing similar interventions. We also explored the integration of theoretical components derived from the I-Change Model, Self-Determination Theory, and Motivational Interviewing, which is a potential path for enhancing the effectiveness of tailored interventions on PA adoption and maintenance. Methods The intervention development was based on the program-planning model for tailored interventions of Kreuter et al. An additional step was added to the model to evaluate the intervention’s usability prior to the implementation phase. An 8-week intervention was developed. The key components of the intervention include a self-monitoring tool for PA behavior, a weekly action planning tool, and eight tailored motivational sessions based on attitude, self-efficacy, intention, type of motivation, PA behavior, and other constructs and techniques. Usability evaluation, a step added to the program-planning model, helped to make several improvements to the intervention prior to the implementation phase. Results The intervention development cost was about CDN $59,700 and took approximately 54 full-time weeks. The intervention officially started on September 29, 2014. Out of 2300 potential participants targeted for the tailored intervention, approximately 530 people visited the website, 170 people completed the registration process, and 83 corresponded to the selection criteria and were enrolled in the intervention. Conclusions Usability evaluation is an essential step in the development of a Web-based tailored intervention in order to make pre-implementation improvements. The effectiveness and relevance of the theoretical framework used for the intervention will be analyzed following the process and impact evaluation. Implications for future research are discussed. PMID:25691346

Development of a fully automated, web-based, tailored intervention promoting regular physical activity among insufficiently active adults with type 2 diabetes: integrating the I-change model, self-determination theory, and motivational interviewing components.

PubMed

Moreau, Michel; Gagnon, Marie-Pierre; Boudreau, François

2015-02-17

Type 2 diabetes is a major challenge for Canadian public health authorities, and regular physical activity is a key factor in the management of this disease. Given that fewer than half of people with type 2 diabetes in Canada are sufficiently active to meet the recommendations, effective programs targeting the adoption of regular physical activity (PA) are in demand for this population. Many researchers argue that Web-based, tailored interventions targeting PA are a promising and effective avenue for sedentary populations like Canadians with type 2 diabetes, but few have described the detailed development of this kind of intervention. This paper aims to describe the systematic development of the Web-based, tailored intervention, Diabète en Forme, promoting regular aerobic PA among adult Canadian francophones with type 2 diabetes. This paper can be used as a reference for health professionals interested in developing similar interventions. We also explored the integration of theoretical components derived from the I-Change Model, Self-Determination Theory, and Motivational Interviewing, which is a potential path for enhancing the effectiveness of tailored interventions on PA adoption and maintenance. The intervention development was based on the program-planning model for tailored interventions of Kreuter et al. An additional step was added to the model to evaluate the intervention's usability prior to the implementation phase. An 8-week intervention was developed. The key components of the intervention include a self-monitoring tool for PA behavior, a weekly action planning tool, and eight tailored motivational sessions based on attitude, self-efficacy, intention, type of motivation, PA behavior, and other constructs and techniques. Usability evaluation, a step added to the program-planning model, helped to make several improvements to the intervention prior to the implementation phase. The intervention development cost was about CDN $59,700 and took approximately 54 full-time weeks. The intervention officially started on September 29, 2014. Out of 2300 potential participants targeted for the tailored intervention, approximately 530 people visited the website, 170 people completed the registration process, and 83 corresponded to the selection criteria and were enrolled in the intervention. Usability evaluation is an essential step in the development of a Web-based tailored intervention in order to make pre-implementation improvements. The effectiveness and relevance of the theoretical framework used for the intervention will be analyzed following the process and impact evaluation. Implications for future research are discussed.

Cost-effectiveness of tubal patency tests.

PubMed

Verhoeve, H R; Moolenaar, L M; Hompes, P; van der Veen, F; Mol, B W J

2013-04-01

Guidelines are not in agreement on the most effective diagnostic scenario for tubal patency testing; therefore, we evaluated the cost-effectiveness of invasive tubal testing in subfertile couples compared with no testing and treatment. Cost-effectiveness analysis. Decision analytic framework. Computer-simulated cohort of subfertile women. We evaluated six scenarios: (1) no tests and no treatment; (2) immediate treatment without tubal testing; (3) delayed treatment without tubal testing; (4) hysterosalpingogram (HSG), followed by immediate or delayed treatment, according to diagnosis (tailored treatment); (5) HSG and a diagnostic laparoscopy (DL) in case HSG does not prove tubal patency, followed by tailored treatment; and (6) DL followed by tailored treatment. Expected cumulative live births after 3 years. Secondary outcomes were cost per couple and the incremental cost-effectiveness ratio. For a 30-year-old woman with otherwise unexplained subfertility for 12 months, 3-year cumulative live birth rates were 51.8, 78.1, 78.4, 78.4, 78.6 and 78.4%, and costs per couple were €0, €6968, €5063, €5410, €5405 and €6163 for scenarios 1, 2, 3, 4, 5 and 6, respectively. The incremental cost-effectiveness ratios compared with scenario 1 (reference strategy), were €26,541, €19,046, €20,372, €20,150 and €23,184 for scenarios 2, 3, 4, 5 and 6, respectively. Sensitivity analysis showed the model to be robust over a wide range of values for the variables. The most cost-effective scenario is to perform no diagnostic tubal tests and to delay in vitro fertilisation (IVF) treatment for at least 12 months for women younger than 38 years old, and to perform no tubal tests and start immediate IVF treatment from the age of 39 years. If an invasive diagnostic test is planned, HSG followed by tailored treatment, or a DL if HSG shows no tubal patency, is more cost-effective than DL. © 2013 The Authors BJOG An International Journal of Obstetrics and Gynaecology © 2013 RCOG.

Tailored Prevention of Inpatient Falls

PubMed Central

ZUYEV, LYUBOV; BENOIT, ANGELA N.; CHANG, FRANK Y.; DYKES, PATRICIA C.

2011-01-01

Patient falls and fall-related injuries are serious problems in hospitals. The Fall TIPS application aims to prevent patient falls by translating routine nursing fall risk assessment into a decision support intervention that communicates fall risk status and creates a tailored evidence-based plan of care that is accessible to the care team, patients, and family members. In our design and implementation of the Fall TIPS toolkit, we used the Spiral Software Development Life Cycle model. Three output tools available to be generated from the toolkit are bed poster, plan of care, and patient education handout. A preliminary design of the application was based on initial requirements defined by project leaders and informed by focus groups with end users. Preliminary design partially simulated the paper version of the Morse Fall Scale currently used in hospitals involved in the research study. Strengths and weaknesses of the first prototype were identified by heuristic evaluation. Usability testing was performed at sites where research study is implemented. Suggestions mentioned by end users participating in usability studies were either directly incorporated into the toolkit and output tools, were slightly modified, or will be addressed during training. The next step is implementation of the fall prevention toolkit on the pilot testing units. PMID:20975543

Xyce Parallel Electronic Simulator : users' guide, version 2.0.

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

Hoekstra, Robert John; Waters, Lon J.; Rankin, Eric Lamont

2004-06-01

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator capable of simulating electrical circuits at a variety of abstraction levels. Primarily, Xyce has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability the current state-of-the-art in the following areas: {sm_bullet} Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). Note that this includes support for most popular parallel and serial computers. {sm_bullet} Improved performance for allmore » numerical kernels (e.g., time integrator, nonlinear and linear solvers) through state-of-the-art algorithms and novel techniques. {sm_bullet} Device models which are specifically tailored to meet Sandia's needs, including many radiation-aware devices. {sm_bullet} A client-server or multi-tiered operating model wherein the numerical kernel can operate independently of the graphical user interface (GUI). {sm_bullet} Object-oriented code design and implementation using modern coding practices that ensure that the Xyce Parallel Electronic Simulator will be maintainable and extensible far into the future. Xyce is a parallel code in the most general sense of the phrase - a message passing of computing platforms. These include serial, shared-memory and distributed-memory parallel implementation - which allows it to run efficiently on the widest possible number parallel as well as heterogeneous platforms. Careful attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. One feature required by designers is the ability to add device models, many specific to the needs of Sandia, to the code. To this end, the device package in the Xyce These input formats include standard analytical models, behavioral models look-up Parallel Electronic Simulator is designed to support a variety of device model inputs. tables, and mesh-level PDE device models. Combined with this flexible interface is an architectural design that greatly simplifies the addition of circuit models. One of the most important feature of Xyce is in providing a platform for computational research and development aimed specifically at the needs of the Laboratory. With Xyce, Sandia now has an 'in-house' capability with which both new electrical (e.g., device model development) and algorithmic (e.g., faster time-integration methods) research and development can be performed. Ultimately, these capabilities are migrated to end users.« less

Coherent Manipulation of Phonons at the Nanoscale

NASA Astrophysics Data System (ADS)

Yu, Shangjie; Ouyang, Min

Phonons play a key role in almost every physical process, including for example dephasing phenomena of electronic quantum states, electric and heat transports. Therefore, understanding and even manipulating phonons represent a pre-requisite for tailoring phonons-mediated physical processes. In this talk, we will first present how to employ ultrafast optical spectroscopy to probe acoustic phonon modes in colloidal metallic nanoparticles. Furthermore, we have developed various phonon manipulation schemes that can be achieved by a train of optical pulses in time domain to allow selective control of phonon modes. Our theoretical modeling and simulation demonstrates an excellent agreement with experimental results, thus providing a future guideline on more complex phononic control at the nanoscale.

Numerical study of drop spreading on a flat surface

NASA Astrophysics Data System (ADS)

Wang, Sheng; Desjardins, Olivier

2017-11-01

In this talk, we perform a numerical study of a droplet on a flat surface with special emphasis on capturing the spreading dynamics. The computational methodology employed is tailored for simulating large-scale two-phase flows within complex geometries. It combines a conservative level-set method to capture the liquid-gas interface, a conservative immersed boundary method to represent the solid-fluid interface, and a sub-grid curvature model at the triple-point to implicitly impose the contact angle of the liquid-gas interface. The performance of the approach is assessed in the inertial droplet spreading regime, the viscous spreading regime of high viscosity drops, and with the capillary oscillation of low viscosity droplets.

High-frequency output characteristics of AlGaAs/GaAs heterojunction bipolar transistors for large-signal applications

NASA Astrophysics Data System (ADS)

Chen, J.; Gao, G. B.; Ünlü, M. S.; Morkoç, H.

1991-11-01

High-frequency ic- vce output characteristics of bipolar transistors, derived from calculated device cutoff frequencies, are reported. The generation of high-frequency output characteristics from device design specifications represents a novel bridge between microwave circuit design and device design: the microwave performance of simulated device structures can be analyzed, or tailored transistor device structures can be designed to fit specific circuit applications. The details of our compact transistor model are presented, highlighting the high-current base-widening (Kirk) effect. The derivation of the output characteristics from the modeled cutoff frequencies are then presented, and the computed characteristics of an AlGaAs/GaAs heterojunction bipolar transistor operating at 10 GHz are analyzed. Applying the derived output characteristics to microwave circuit design, we examine large-signal class A and class B amplification.

High field terahertz pulse generation from plasma wakefield driven by tailored laser pulses

NASA Astrophysics Data System (ADS)

Chen, Zi-Yu

2013-06-01

A scheme to generate high field terahertz (THz) pulses by using tailored laser pulses interaction with a gas target is proposed. The laser wakefield based THz source is emitted from the asymmetric laser shape induced plasma transverse transient net currents. Particle-in-cell simulations show that THz emission with electric filed strength over 1 GV/cm can be obtained with incident laser at 1×1019 W/cm2 level, and the corresponding energy conversion efficiency is more than 10-4. The intensity scaling holds up to high field strengths. Such a source also has a broad tunability range in amplitude, frequency spectra, and temporal shape.

Tailoring mode interference in plasmon-induced transparency metamaterials

NASA Astrophysics Data System (ADS)

Liu, Meng; Yang, Quanlong; Xu, Quan; Chen, Xieyu; Tian, Zhen; Gu, Jianqiang; Ouyang, Chunmei; Zhang, Xueqian; Han, Jiaguang; Zhang, Weili

2018-05-01

We proposed an approach to tailor the mode interference effect in plasmon-induced transparency (PIT) metamaterials. Through introducing an extra coupling mode using an asymmetric structure configuration at terahertz (THz) frequencies, the well-known single-transparency-window PIT can be switched to dual-transparency-window PIT. Proof-of-concept subwavelength structures were fabricated and experimentally characterized. The measured results are in good agreement with the simulations, and well support our theoretical analysis. The presented research delivers a novel approach toward developing subwavelength devices with varies functionalities, such as ultra-slow group velocities, longitudinal pulse compression and light storage in the THz regime, which can also be extended to other spectral regimes.

Magnetic Flyer Facility Correlation and UGT Simulation

DTIC Science & Technology

1978-05-01

AND UGT SIMULATION (U) Kaman Sciences Corporation L ~ P.O. Box 7463 I Colorado Springs, Colcerado 80933 ý4 May 1978DC Final Report CONTRACT No. DNA O01...selected underground test ( UGT ) environment on 3DQP; and, (2) To correlate the magnetically driven flyer plate facilities of VKSC with those of the...tailored to matcb the pressure vs. time anid total impulse measurements obtained on UGT events. This matching of experi- mental data required considerable

An ecological momentary intervention for smoking cessation: The associations of just-in-time, tailored messages with lapse risk factors.

PubMed

Hébert, Emily T; Stevens, Elise M; Frank, Summer G; Kendzor, Darla E; Wetter, David W; Zvolensky, Michael J; Buckner, Julia D; Businelle, Michael S

2018-03-01

Smartphone apps can provide real-time, tailored interventions for smoking cessation. The current study examines the effectiveness of a smartphone-based smoking cessation application that assessed risk for imminent smoking lapse multiple times per day and provided messages tailored to current smoking lapse risk and specific lapse triggers. Participants (N=59) recruited from a safety-net hospital smoking cessation clinic completed phone-based ecological momentary assessments (EMAs) 5 times/day for 3 consecutive weeks (1week pre-quit, 2weeks post-quit). Risk for smoking lapse was estimated in real-time using a novel weighted lapse risk estimator. With each EMA, participants received messages tailored to current level of risk for imminent smoking lapse and self-reported presence of smoking urge, stress, cigarette availability, and motivation to quit. Generalized linear mixed model analyses determined whether messages tailored to specific lapse risk factors were associated with greater reductions in these triggers than messages not tailored to specific triggers. Overall, messages tailored to smoking urge, cigarette availability, or stress corresponded with greater reductions in those triggers than messages that were not tailored to specific triggers (p's=0.02 to <0.001). Although messages tailored to stress were associated with greater reductions in stress than messages not tailored to stress, the association was non-significant (p=0.892) when only moments of high stress were included in the analysis. Mobile technology can be used to conduct real-time smoking lapse risk assessment and provide tailored treatment content. Findings provide initial evidence that tailored content may impact users' urge to smoke, stress, and cigarette availability. Copyright © 2017 Elsevier Ltd. All rights reserved.

The sources of atmospheric black carbon at a European gateway to the Arctic

NASA Astrophysics Data System (ADS)

Winiger, P.; Andersson, A.; Eckhardt, S.; Stohl, A.; Gustafsson, Ö.

2016-09-01

Black carbon (BC) aerosols from incomplete combustion of biomass and fossil fuel contribute to Arctic climate warming. Models--seeking to advise mitigation policy--are challenged in reproducing observations of seasonally varying BC concentrations in the Arctic air. Here we compare year-round observations of BC and its δ13C/Δ14C-diagnosed sources in Arctic Scandinavia, with tailored simulations from an atmospheric transport model. The model predictions for this European gateway to the Arctic are greatly improved when the emission inventory of anthropogenic sources is amended by satellite-derived estimates of BC emissions from fires. Both BC concentrations (R2=0.89, P<0.05) and source contributions (R2=0.77, P<0.05) are accurately mimicked and linked to predominantly European emissions. This improved model skill allows for more accurate assessment of sources and effects of BC in the Arctic, and a more credible scientific underpinning of policy efforts aimed at efficiently reducing BC emissions reaching the European Arctic.

Radar Reflectivity in Wingtip-Generated Wake Vortices

NASA Technical Reports Server (NTRS)

Marshall, Robert E.; Mudukutore, Ashok; Wissel, Vicki

1997-01-01

This report documents new predictive models of radar reflectivity, with meter-scale resolution, for aircraft wakes in clear air and fog. The models result from a radar design program to locate and quantify wake vortices from commercial aircraft in support of the NASA Aircraft Vortex Spacing System (AVOSS). The radar reflectivity model for clear air assumes: 1) turbulent eddies in the wake produce small discontinuities in radar refractive index; and 2) these turbulent eddies are in the 'inertial subrange' of turbulence. From these assumptions, the maximum radar frequency for detecting a particular aircraft wake, as well as the refractive index structure constant and radar volume reflectivity in the wake can be obtained from the NASA Terminal Area Simulation System (TASS) output. For fog conditions, an empirical relationship is used to calculate radar reflectivity factor from TASS output of bulk liquid water. Currently, two models exist: 1) Atlas-based on observations of liquid water and radar reflectivity factor in clouds; and 2) de Wolf- specifically tailored to a specific measured dataset (1992 Vandenberg Air Force Base).

InxAl1-xN chiral nanorods mimicking the polarization features of scarab beetles

NASA Astrophysics Data System (ADS)

Magnusson, R.; Birch, J.; Hsiao, C.-L.; Sandström, P.; Arwin, H.; Järrendahl, K.

2015-03-01

The scarab beetle Cetonia aurata is known to reflect light with brilliant colors and a high degree of circular polarization. Both color and polarization effects originate from the beetles exoskeleton and have been attributed to a Bragg reflection of the incident light due to a twisted laminar structure. Our strategy for mimicking the optical properties of the Cetonia aurata was therefore to design and fabricate transparent, chiral films. A series of films with tailored transparent structures of helicoidal InxAl1-xN nanorods were grown on sapphire substrates using UHV magnetron sputtering. The value of x is tailored to gradually decrease from one side to the other in each nanorod normal to its growth direction. This introduces an in-plane anisotropy with different refractive indices in the direction of the gradient and perpendicular to it. By rotating the sample during film growth the in-plane optical axis will be rotated from bottom to top and thereby creating a chiral film. Based on Muellermatrix ellipsometry, optical modeling has been done suggesting that both the exoskeleton of Cetonia aurata and our artificial material can be modeled by an anisotropic film made up of a stack of thin layers, each one with its in-plane optical axis slightly rotated with respect to the previous layer. Simulations based on the optical modeling were used to investigate how pitch and thickness of the film together with the optical properties of the constitutive materials affects the width and spectral position of the Bragg reflection band.

Reproducible Hydrogeophysical Inversions through the Open-Source Library pyGIMLi

NASA Astrophysics Data System (ADS)

Wagner, F. M.; Rücker, C.; Günther, T.

2017-12-01

Many tasks in applied geosciences cannot be solved by a single measurement method and require the integration of geophysical, geotechnical and hydrological methods. In the emerging field of hydrogeophysics, researchers strive to gain quantitative information on process-relevant subsurface parameters by means of multi-physical models, which simulate the dynamic process of interest as well as its geophysical response. However, such endeavors are associated with considerable technical challenges, since they require coupling of different numerical models. This represents an obstacle for many practitioners and students. Even technically versatile users tend to build individually tailored solutions by coupling different (and potentially proprietary) forward simulators at the cost of scientific reproducibility. We argue that the reproducibility of studies in computational hydrogeophysics, and therefore the advancement of the field itself, requires versatile open-source software. To this end, we present pyGIMLi - a flexible and computationally efficient framework for modeling and inversion in geophysics. The object-oriented library provides management for structured and unstructured meshes in 2D and 3D, finite-element and finite-volume solvers, various geophysical forward operators, as well as Gauss-Newton based frameworks for constrained, joint and fully-coupled inversions with flexible regularization. In a step-by-step demonstration, it is shown how the hydrogeophysical response of a saline tracer migration can be simulated. Tracer concentration data from boreholes and measured voltages at the surface are subsequently used to estimate the hydraulic conductivity distribution of the aquifer within a single reproducible Python script.

Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties.

PubMed

Dimas, Leon S; Buehler, Markus J

2014-07-07

Flaws, imperfections and cracks are ubiquitous in material systems and are commonly the catalysts of catastrophic material failure. As stresses and strains tend to concentrate around cracks and imperfections, structures tend to fail far before large regions of material have ever been subjected to significant loading. Therefore, a major challenge in material design is to engineer systems that perform on par with pristine structures despite the presence of imperfections. In this work we integrate knowledge of biological systems with computational modeling and state of the art additive manufacturing to synthesize advanced composites with tunable fracture mechanical properties. Supported by extensive mesoscale computer simulations, we demonstrate the design and manufacturing of composites that exhibit deformation mechanisms characteristic of pristine systems, featuring flaw-tolerant properties. We analyze the results by directly comparing strain fields for the synthesized composites, obtained through digital image correlation (DIC), and the computationally tested composites. Moreover, we plot Ashby diagrams for the range of simulated and experimental composites. Our findings show good agreement between simulation and experiment, confirming that the proposed mechanisms have a significant potential for vastly improving the fracture response of composite materials. We elucidate the role of stiffness ratio variations of composite constituents as an important feature in determining the composite properties. Moreover, our work validates the predictive ability of our models, presenting them as useful tools for guiding further material design. This work enables the tailored design and manufacturing of composites assembled from inferior building blocks, that obtain optimal combinations of stiffness and toughness.

Towards a personalized and dynamic CRT-D. A computational cardiovascular model dedicated to therapy optimization.

PubMed

Di Molfetta, A; Santini, L; Forleo, G B; Minni, V; Mafhouz, K; Della Rocca, D G; Fresiello, L; Romeo, F; Ferrari, G

2012-01-01

In spite of cardiac resynchronization therapy (CRT) benefits, 25-30% of patients are still non responders. One of the possible reasons could be the non optimal atrioventricular (AV) and interventricular (VV) intervals settings. Our aim was to exploit a numerical model of cardiovascular system for AV and VV intervals optimization in CRT. A numerical model of the cardiovascular system CRT-dedicated was previously developed. Echocardiographic parameters, Systemic aortic pressure and ECG were collected in 20 consecutive patients before and after CRT. Patient data were simulated by the model that was used to optimize and set into the device the intervals at the baseline and at the follow up. The optimal AV and VV intervals were chosen to optimize the simulated selected variable/s on the base of both echocardiographic and electrocardiographic parameters. Intervals were different for each patient and in most cases, they changed at follow up. The model can well reproduce clinical data as verified with Bland Altman analysis and T-test (p > 0.05). Left ventricular remodeling was 38.7% and left ventricular ejection fraction increasing was 11% against the 15% and 6% reported in literature, respectively. The developed numerical model could reproduce patients conditions at the baseline and at the follow up including the CRT effects. The model could be used to optimize AV and VV intervals at the baseline and at the follow up realizing a personalized and dynamic CRT. A patient tailored CRT could improve patients outcome in comparison to literature data.

Simulation of the Press Hardening Process and Prediction of the Final Mechanical Material Properties

NASA Astrophysics Data System (ADS)

Hochholdinger, Bernd; Hora, Pavel; Grass, Hannes; Lipp, Arnulf

2011-08-01

Press hardening is a well-established production process in the automotive industry today. The actual trend of this process technology points towards the manufacturing of parts with tailored properties. Since the knowledge of the mechanical properties of a structural part after forming and quenching is essential for the evaluation of for example the crash performance, an accurate as possible virtual assessment of the production process is more than ever necessary. In order to achieve this, the definition of reliable input parameters and boundary conditions for the thermo-mechanically coupled simulation of the process steps is required. One of the most important input parameters, especially regarding the final properties of the quenched material, is the contact heat transfer coefficient (IHTC). The CHTC depends on the effective pressure or the gap distance between part and tool. The CHTC at different contact pressures and gap distances is determined through inverse parameter identification. Furthermore a simulation strategy for the subsequent steps of the press hardening process as well as adequate modeling approaches for part and tools are discussed. For the prediction of the yield curves of the material after press hardening a phenomenological model is presented. This model requires the knowledge of the microstructure within the part. By post processing the nodal temperature history with a CCT diagram the quantitative distribution of the phase fractions martensite, bainite, ferrite and pearlite after press hardening is determined. The model itself is based on a Hockett-Sherby approach with the Hockett-Sherby parameters being defined in function of the phase fractions and a characteristic cooling rate.

Tailoring Mathematical Models to Stem-Cell Derived Cardiomyocyte Lines Can Improve Predictions of Drug-Induced Changes to Their Electrophysiology.

PubMed

Lei, Chon Lok; Wang, Ken; Clerx, Michael; Johnstone, Ross H; Hortigon-Vinagre, Maria P; Zamora, Victor; Allan, Andrew; Smith, Godfrey L; Gavaghan, David J; Mirams, Gary R; Polonchuk, Liudmila

2017-01-01

Human induced pluripotent stem cell derived cardiomyocytes (iPSC-CMs) have applications in disease modeling, cell therapy, drug screening and personalized medicine. Computational models can be used to interpret experimental findings in iPSC-CMs, provide mechanistic insights, and translate these findings to adult cardiomyocyte (CM) electrophysiology. However, different cell lines display different expression of ion channels, pumps and receptors, and show differences in electrophysiology. In this exploratory study, we use a mathematical model based on iPSC-CMs from Cellular Dynamic International (CDI, iCell), and compare its predictions to novel experimental recordings made with the Axiogenesis Cor.4U line. We show that tailoring this model to the specific cell line, even using limited data and a relatively simple approach, leads to improved predictions of baseline behavior and response to drugs. This demonstrates the need and the feasibility to tailor models to individual cell lines, although a more refined approach will be needed to characterize individual currents, address differences in ion current kinetics, and further improve these results.

EIT image regularization by a new Multi-Objective Simulated Annealing algorithm.

PubMed

Castro Martins, Thiago; Sales Guerra Tsuzuki, Marcos

2015-01-01

Multi-Objective Optimization can be used to produce regularized Electrical Impedance Tomography (EIT) images where the weight of the regularization term is not known a priori. This paper proposes a novel Multi-Objective Optimization algorithm based on Simulated Annealing tailored for EIT image reconstruction. Images are reconstructed from experimental data and compared with images from other Multi and Single Objective optimization methods. A significant performance enhancement from traditional techniques can be inferred from the results.

Tailoring a response to youth binge drinking in an Aboriginal Australian community: a grounded theory study.

PubMed

McCalman, Janya; Tsey, Komla; Bainbridge, Roxanne; Shakeshaft, Anthony; Singleton, Michele; Doran, Christopher

2013-08-07

While Aboriginal Australian health providers prioritise identification of local community health needs and strategies, they do not always have the opportunity to access or interpret evidence-based literature to inform health improvement innovations. Research partnerships are therefore important when designing or modifying Aboriginal Australian health improvement initiatives and their evaluation. However, there are few models that outline the pragmatic steps by which research partners negotiate to develop, implement and evaluate community-based initiatives. The objective of this paper is to provide a theoretical model of the tailoring of health improvement initiatives by Aboriginal community-based service providers and partner university researchers. It draws from the case of the Beat da Binge community-initiated youth binge drinking harm reduction project in Yarrabah. A theoretical model was developed using the constructivist grounded theory methods of concurrent sampling, data collection and analysis. Data was obtained from the recordings of reflective Community-Based Participatory Research (CBPR) processes with Aboriginal community partners and young people, and university researchers. CBPR data was supplemented with interviews with theoretically sampled project participants. The transcripts of CBPR recordings and interviews were imported into NVIVO and coded to identify categories and theoretical constructs. The identified categories were then developed into higher order concepts and the relationships between concepts identified until the central purpose of those involved in the project and the core process that facilitated that purpose were identified. The tailored alcohol harm reduction project resulted in clarification of the underlying local determinants of binge drinking, and a shift in the project design from a social marketing awareness campaign (based on short-term events) to a more robust advocacy for youth mentoring into education, employment and training. The community-based process undertaken by the research partnership to tailor the design, implementation and evaluation of the project was theorised as a model incorporating four overlapping stages of negotiating knowledges and meanings to tailor a community response. The theoretical model can be applied in spaces where local Aboriginal and scientific knowledges meet to support the tailored design, implementation and evaluation of other health improvement projects, particularly those that originate from Aboriginal communities themselves.

Proceedings of the Automated Weather Support Technical Exchange Conference (6th). Held at the U.S. Naval Academy, Annapolis, Maryland on 21-24 September 1970.

DTIC Science & Technology

forecasting, Tailored meteorological support, Automated processing and application of satellite data, and Environmental simulation. The sixth and final session was devoted to a panel discussion on Automated meteorological support.

The Climate Response to Stratospheric Aerosol Geoengineering Can Be Tailored Using Multiple Injection Locations

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

MacMartin, Douglas G.; Kravitz, Ben; Tilmes, Simone

The climate response to geoengineering with stratospheric aerosols has the potential to be designed to achieve some chosen objectives. By injecting different amounts of SO2 at multiple different latitudes, the spatial pattern of aerosol optical depth (AOD) can be partially controlled. We use simulations from the fully-coupled whole-atmosphere chemistry-climate model CESM1(WACCM), to demonstrate that three spatial degrees of freedom of AOD can be achieved by appropriately combining injection at different locations: an approximately spatially-uniform AOD distribution, the relative difference in AOD between Northern and Southern hemispheres, and the relative AOD in high versus low latitudes. For forcing levels that yieldmore » 1–2°C cooling, the AOD and surface temperature response are sufficiently linear in this model so that many climate effects can be predicted from single-latitude injection simulations. Optimized injection at multiple locations is predicted to improve compensation of CO2-forced climate change, relative to a case using only equatorial aerosol injection. The additional degrees of freedom can be used, for example, to balance interhemispheric temperature differences and the equator to pole temperature difference in addition to the global mean temperature; this is projected in this model to reduce the mean-square error in temperature compensation by 30%.« less

Towards an integral computer environment supporting system operations analysis and conceptual design

NASA Technical Reports Server (NTRS)

Barro, E.; Delbufalo, A.; Rossi, F.

1994-01-01

VITROCISET has in house developed a prototype tool named System Dynamic Analysis Environment (SDAE) to support system engineering activities in the initial definition phase of a complex space system. The SDAE goal is to provide powerful means for the definition, analysis, and trade-off of operations and design concepts for the space and ground elements involved in a mission. For this purpose SDAE implements a dedicated modeling methodology based on the integration of different modern (static and dynamic) analysis and simulation techniques. The resulting 'system model' is capable of representing all the operational, functional, and behavioral aspects of the system elements which are part of a mission. The execution of customized model simulations enables: the validation of selected concepts with respect to mission requirements; the in-depth investigation of mission specific operational and/or architectural aspects; and the early assessment of performances required by the system elements to cope with mission constraints and objectives. Due to its characteristics, SDAE is particularly tailored for nonconventional or highly complex systems, which require a great analysis effort in their early definition stages. SDAE runs under PC-Windows and is currently used by VITROCISET system engineering group. This paper describes the SDAE main features, showing some tool output examples.

Hierarchical tailoring of strut architecture to control permeability of additive manufactured titanium implants.

PubMed

Zhang, Z; Jones, D; Yue, S; Lee, P D; Jones, J R; Sutcliffe, C J; Jones, E

2013-10-01

Porous titanium implants are a common choice for bone augmentation. Implants for spinal fusion and repair of non-union fractures must encourage blood flow after implantation so that there is sufficient cell migration, nutrient and growth factor transport to stimulate bone ingrowth. Additive manufacturing techniques allow a large number of pore network designs. This study investigates how the design factors offered by selective laser melting technique can be used to alter the implant architecture on multiple length scales to control and even tailor the flow. Permeability is a convenient parameter that characterises flow, correlating to structure openness (interconnectivity and pore window size), tortuosity and hence flow shear rates. Using experimentally validated computational simulations, we demonstrate how additive manufacturing can be used to tailor implant properties by controlling surface roughness at a microstructual level (microns), and by altering the strut ordering and density at a mesoscopic level (millimetre). Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

Evaluating psychosocial and behavioral mechanisms of change in a tailored communication intervention.

PubMed

Elder, John P; Ayala, Guadalupe X; Slymen, Donald J; Arredondo, Elva M; Campbell, Nadia R

2009-04-01

This study examined the impact of a tailored nutrition intervention at 3 and 6 months postintervention. In all, 357 Latinas were randomly assigned to one of three conditions: (1) a control condition comprised of previously developed Spanish language targeted materials, (2) tailored print materials, or (3) tailored print materials accompanied by personalized dietary counseling via lay heath advisors (promotoras). At 6 months postintervention, significant group by time interactions were observed on the dietary behavioral strategies scales. The promotora condition resulted in significant behavior change initially; however, receipt of tailored and control materials was instrumental in continued behavior change after intervention activities had ceased. Group main effects suggested that the promotora condition was superior at reducing barriers and improving family interactions supporting healthy behaviors. The promotora model is an effective method for changing important dietary behaviors and psychosocial determinants, but longer term behavior change is achievable with less expensive intervention methods.

Nanoporous Silica Thermal Insulation for Space Shuttle Cryogenic Tanks: A Case Study

NASA Technical Reports Server (NTRS)

Noever, David A.

1999-01-01

Nanoporous silica (with typical 10-50 nm porous radii) has been benchmarked for thermal insulators capable of maintaining a 150 K/cm temperature gradient. For cryogenic use in aerospace applications, the combined features for low-density, high thermal insulation factors, and low temperature compatibility are demonstrated in a prototype sandwich structure between two propulsion tanks. Theoretical modelling based on a nanoscale fractal structure suggest that the thermal conductivity scales proportionally (exponent, 1.7) with the material density-lower density increases the thermal insulation rating. Computer simulations, however, support the optimization tradeoff between material strength (Young moduli, proportional to density with exponent, 3.7), the characteristic (colloidal silica, less than 5 nm) particle size, and the thermal rating. The results of these simulations indicate that as nanosized particles are incorporated into the silica backbone, the resulting physical properties will be tailored by the smallest characteristic length and their fractal interconnections (dimension and fractal size). The application specifies a prototype panel which takes advantage of the processing flexibility inherent in sol-gel chemistry.

Relaxation of ferroelectric states in 2D distributions of quantum dots: EELS simulation

NASA Astrophysics Data System (ADS)

Cortés, C. M.; Meza-Montes, L.; Moctezuma, R. E.; Carrillo, J. L.

2016-06-01

The relaxation time of collective electronic states in a 2D distribution of quantum dots is investigated theoretically by simulating EELS experiments. From the numerical calculation of the probability of energy loss of an electron beam, traveling parallel to the distribution, it is possible to estimate the damping time of ferroelectric-like states. We generate this collective response of the distribution by introducing a mean field interaction among the quantum dots, and then, the model is extended incorporating effects of long-range correlations through a Bragg-Williams approximation. The behavior of the dielectric function, the energy loss function, and the relaxation time of ferroelectric-like states is then investigated as a function of the temperature of the distribution and the damping constant of the electronic states in the single quantum dots. The robustness of the trends and tendencies of our results indicate that this scheme of analysis can guide experimentalists to develop tailored quantum dots distributions for specific applications.

Unravelling Some of the Structure-Property Relationships in Graphene Oxide at Low Degree of Oxidation.

PubMed

Savazzi, Filippo; Risplendi, Francesca; Mallia, Giuseppe; Harrison, Nicholas M; Cicero, Giancarlo

2018-04-05

Graphene oxide (GO) is a versatile 2D material whose properties can be tuned by changing the type and concentration of oxygen-containing functional groups attached to its surface. However, a detailed knowledge of the dependence of the chemo/physical features of this material on its chemical composition is largely unknown. We combine classical molecular dynamics and density functional theory simulations to predict the structural and electronic properties of GO at low degree of oxidation and suggest a revision of the Lerf-Klinowski model. We find that layer deformation is larger for samples containing high concentrations of epoxy groups and that correspondingly the band gap increases. Targeted chemical modification of the GO surface appears to be an effective route to tailor the electronic properties of the monolayer for given applications. Our simulations also show that the chemical shift of the C-1s XPS peak allows one to unambiguously characterize GO composition, resolving the peak attribution  uncertainty often encountered in experiments.

Efficient 3D kinetic Monte Carlo method for modeling of molecular structure and dynamics.

PubMed

Panshenskov, Mikhail; Solov'yov, Ilia A; Solov'yov, Andrey V

2014-06-30

Self-assembly of molecular systems is an important and general problem that intertwines physics, chemistry, biology, and material sciences. Through understanding of the physical principles of self-organization, it often becomes feasible to control the process and to obtain complex structures with tailored properties, for example, bacteria colonies of cells or nanodevices with desired properties. Theoretical studies and simulations provide an important tool for unraveling the principles of self-organization and, therefore, have recently gained an increasing interest. The present article features an extension of a popular code MBN EXPLORER (MesoBioNano Explorer) aiming to provide a universal approach to study self-assembly phenomena in biology and nanoscience. In particular, this extension involves a highly parallelized module of MBN EXPLORER that allows simulating stochastic processes using the kinetic Monte Carlo approach in a three-dimensional space. We describe the computational side of the developed code, discuss its efficiency, and apply it for studying an exemplary system. Copyright © 2014 Wiley Periodicals, Inc.

Addressing medication nonadherence by mobile phone: development and delivery of tailored messages.

PubMed

Gatwood, Justin; Balkrishnan, Rajesh; Erickson, Steven R; An, Lawrence C; Piette, John D; Farris, Karen B

2014-01-01

Medication nonadherence remains a significant public health problem, and efforts to improve adherence have shown only limited impact. The tailoring of messages has become a popular method of developing communication to influence specific health-related behaviors but the development and impact of tailored text messages on medication use is poorly understood. The aim of this paper is to describe an approach to developing theory-based tailored messages for delivery via mobile phone to improve medication adherence among patients with diabetes. Kreuter's five-step tailoring process was followed to create tailored messages for mobile phone delivery. Two focus group sessions, using input from 11 people, and expert review of message content were used to adapt the survey instrument on which the messages were tailored and edit the developed messages for the target population. Following established tailoring methods a library of 168 theory-driven and 128 medication-specific tailored messages were developed and formatted for automated delivery to mobile phones. Concepts from the Health Belief Model and Self-Determination Theory were used to craft the messages and an algorithm was applied to determine the order and timing of messages with the aim of progressively influencing disease and treatment-related beliefs driving adherence to diabetes medication. The process described may be applied to future investigations aiming to improve medication adherence in patients with diabetes and the effectiveness of the current messages will be tested in a planned analysis. Copyright © 2014 Elsevier Inc. All rights reserved.

Computational model, method, and system for kinetically-tailoring multi-drug chemotherapy for individuals

DOEpatents

Gardner, Shea Nicole

2007-10-23

A method and system for tailoring treatment regimens to individual patients with diseased cells exhibiting evolution of resistance to such treatments. A mathematical model is provided which models rates of population change of proliferating and quiescent diseased cells using cell kinetics and evolution of resistance of the diseased cells, and pharmacokinetic and pharmacodynamic models. Cell kinetic parameters are obtained from an individual patient and applied to the mathematical model to solve for a plurality of treatment regimens, each having a quantitative efficacy value associated therewith. A treatment regimen may then be selected from the plurlaity of treatment options based on the efficacy value.

Fiberfox: facilitating the creation of realistic white matter software phantoms.

PubMed

Neher, Peter F; Laun, Frederik B; Stieltjes, Bram; Maier-Hein, Klaus H

2014-11-01

Phantom-based validation of diffusion-weighted image processing techniques is an important key to innovation in the field and is widely used. Openly available and user friendly tools for the flexible generation of tailor-made datasets for the specific tasks at hand can greatly facilitate the work of researchers around the world. We present an open-source framework, Fiberfox, that enables (1) the intuitive definition of arbitrary artificial white matter fiber tracts, (2) signal generation from those fibers by means of the most recent multi-compartment modeling techniques, and (3) simulation of the actual MR acquisition that allows for the introduction of realistic MRI-related effects into the final image. We show that real acquisitions can be closely approximated by simulating the acquisition of the well-known FiberCup phantom. We further demonstrate the advantages of our framework by evaluating the effects of imaging artifacts and acquisition settings on the outcome of 12 tractography algorithms. Our findings suggest that experiments on a realistic software phantom might change the conclusions drawn from earlier hardware phantom experiments. Fiberfox may find application in validating and further developing methods such as tractography, super-resolution, diffusion modeling or artifact correction. Copyright © 2013 Wiley Periodicals, Inc.

Landscaping the structures of GAVI country vaccine supply chains and testing the effects of radical redesign.

PubMed

Lee, Bruce Y; Connor, Diana L; Wateska, Angela R; Norman, Bryan A; Rajgopal, Jayant; Cakouros, Brigid E; Chen, Sheng-I; Claypool, Erin G; Haidari, Leila A; Karir, Veena; Leonard, Jim; Mueller, Leslie E; Paul, Proma; Schmitz, Michelle M; Welling, Joel S; Weng, Yu-Ting; Brown, Shawn T

2015-08-26

Many of the world's vaccine supply chains do not adequately provide vaccines, prompting several questions: how are vaccine supply chains currently structured, are these structures closely tailored to individual countries, and should these supply chains be radically redesigned? We segmented the 57 GAVI-eligible countries' vaccine supply chains based on their structure/morphology, analyzed whether these segments correlated with differences in country characteristics, and then utilized HERMES to develop a detailed simulation model of three sample countries' supply chains and explore the cost and impact of various alternative structures. The majority of supply chains (34 of 57) consist of four levels, despite serving a wide diversity of geographical areas and population sizes. These four-level supply chains loosely fall into three clusters [(1) 18 countries relatively more bottom-heavy, i.e., many more storage locations lower in the supply chain, (2) seven with relatively more storage locations in both top and lower levels, and (3) nine comparatively more top-heavy] which do not correlate closely with any of the country characteristics considered. For all three cluster types, our HERMES modeling found that simplified systems (a central location shipping directly to immunization locations with a limited number of Hubs in between) resulted in lower operating costs. A standard four-tier design template may have been followed for most countries and raises the possibility that simpler and more tailored designs may be warranted. Copyright © 2015 Elsevier Ltd. All rights reserved.

Community Coordinated Modeling Center Support of Science Needs for Integrated Data Environment

NASA Technical Reports Server (NTRS)

Kuznetsova, M. M.; Hesse, M.; Rastatter, L.; Maddox, M.

2007-01-01

Space science models are essential component of integrated data environment. Space science models are indispensable tools to facilitate effective use of wide variety of distributed scientific sources and to place multi-point local measurements into global context. The Community Coordinated Modeling Center (CCMC) hosts a set of state-of-the- art space science models ranging from the solar atmosphere to the Earth's upper atmosphere. The majority of models residing at CCMC are comprehensive computationally intensive physics-based models. To allow the models to be driven by data relevant to particular events, the CCMC developed an online data file generation tool that automatically downloads data from data providers and transforms them to required format. CCMC provides a tailored web-based visualization interface for the model output, as well as the capability to download simulations output in portable standard format with comprehensive metadata and user-friendly model output analysis library of routines that can be called from any C supporting language. CCMC is developing data interpolation tools that enable to present model output in the same format as observations. CCMC invite community comments and suggestions to better address science needs for the integrated data environment.

Tailoring superelasticity of soft magnetic materials

NASA Astrophysics Data System (ADS)

Cremer, Peet; Löwen, Hartmut; Menzel, Andreas M.

2015-10-01

Embedding magnetic colloidal particles in an elastic polymer matrix leads to smart soft materials that can reversibly be addressed from outside by external magnetic fields. We discover a pronounced nonlinear superelastic stress-strain behavior of such materials using numerical simulations. This behavior results from a combination of two stress-induced mechanisms: a detachment mechanism of embedded particle aggregates and a reorientation mechanism of magnetic moments. The superelastic regime can be reversibly tuned or even be switched on and off by external magnetic fields and thus be tailored during operation. Similarities to the superelastic behavior of shape-memory alloys suggest analogous applications, with the additional benefit of reversible switchability and a higher biocompatibility of soft materials.

Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers

DOE PAGES

Perez-Sanchez, German; Chien, Szu -Chia; Gomes, Jose R. B.; ...

2016-04-04

A detailed theoretical understanding of the synthesis mechanism of periodic mesoporous silica has not yet been achieved. We present results of a multiscale simulation strategy that, for the first time, describes the molecular-level processes behind the formation of silica/surfactant mesophases in the synthesis of templated MCM-41 materials. The parameters of a new coarse-grained explicit-solvent model for the synthesis solution are calibrated with reference to a detailed atomistic model, which itself is based on quantum mechanical calculations. This approach allows us to reach the necessary time and length scales to explicitly simulate the spontaneous formation of mesophase structures while maintaining amore » level of realism that allows for direct comparison with experimental systems. Our model shows that silica oligomers are a necessary component in the formation of hexagonal liquid crystals from low-concentration surfactant solutions. Because they are multiply charged, silica oligomers are able to bridge adjacent micelles, thus allowing them to overcome their mutual repulsion and form aggregates. This leads the system to phase separate into a dilute solution and a silica/surfactant-rich mesophase, which leads to MCM-41 formation. Before extensive silica condensation takes place, the mesophase structure can be controlled by manipulation of the synthesis conditions. Our modeling results are in close agreement with experimental observations and strongly support a cooperative mechanism for synthesis of this class of materials. Furthermore, this work paves the way for tailored design of nanoporous materials using computational models.« less

Towards Full Aircraft Airframe Noise Prediction: Detached Eddy Simulations

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Mineck, Raymond E.

2014-01-01

Results from a computational study on the aeroacoustic characteristics of an 18%-scale, semi-span Gulf-stream aircraft model are presented in this paper. NASA's FUN3D unstructured compressible Navier-Stokes solver was used to perform steady and unsteady simulations of the flow field associated with this high-fidelity aircraft model. Solutions were obtained for free-air at a Mach number of 0.2 with the flap deflected at 39 deg, with the main gear off and on (the two baseline configurations). Initially, the study focused on accurately predicting the prominent noise sources at both flap tips for the baseline configuration with deployed flap only. Building upon the experience gained from this initial effort, subsequent work involved the full landing configuration with both flap and main landing gear deployed. For the unsteady computations, we capitalized on the Detached Eddy Simulation capability of FUN3D to capture the complex time-dependent flow features associated with the flap and main gear. To resolve the noise sources over a broad frequency range, the tailored grid was very dense near the flap inboard and outboard tips and the region surrounding the gear. Extensive comparison of the computed steady and unsteady surface pressures with wind tunnel measurements showed good agreement for the global aerodynamic characteristics and the local flow field at the flap inboard tip. However, the computed pressure coefficients indicated that a zone of separated flow that forms in the vicinity of the outboard tip is larger in extent along the flap span and chord than measurements suggest. Computed farfield acoustic characteristics from a FW-H integral approach that used the simulated pressures on the model solid surface were in excellent agreement with corresponding measurements.

A Multidimensional Computerized Adaptive Short-Form Quality of Life Questionnaire Developed and Validated for Multiple Sclerosis: The MusiQoL-MCAT.

PubMed

Michel, Pierre; Baumstarck, Karine; Ghattas, Badih; Pelletier, Jean; Loundou, Anderson; Boucekine, Mohamed; Auquier, Pascal; Boyer, Laurent

2016-04-01

The aim was to develop a multidimensional computerized adaptive short-form questionnaire, the MusiQoL-MCAT, from a fixed-length QoL questionnaire for multiple sclerosis.A total of 1992 patients were enrolled in this international cross-sectional study. The development of the MusiQoL-MCAT was based on the assessment of between-items MIRT model fit followed by real-data simulations. The MCAT algorithm was based on Bayesian maximum a posteriori estimation of latent traits and Kullback-Leibler information item selection. We examined several simulations based on a fixed number of items. Accuracy was assessed using correlations (r) between initial IRT scores and MCAT scores. Precision was assessed using the standard error measurement (SEM) and the root mean square error (RMSE).The multidimensional graded response model was used to estimate item parameters and IRT scores. Among the MCAT simulations, the 16-item version of the MusiQoL-MCAT was selected because the accuracy and precision became stable with 16 items with satisfactory levels (r ≥ 0.9, SEM ≤ 0.55, and RMSE ≤ 0.3). External validity of the MusiQoL-MCAT was satisfactory.The MusiQoL-MCAT presents satisfactory properties and can individually tailor QoL assessment to each patient, making it less burdensome to patients and better adapted for use in clinical practice.

A Multidimensional Computerized Adaptive Short-Form Quality of Life Questionnaire Developed and Validated for Multiple Sclerosis

PubMed Central

Michel, Pierre; Baumstarck, Karine; Ghattas, Badih; Pelletier, Jean; Loundou, Anderson; Boucekine, Mohamed; Auquier, Pascal; Boyer, Laurent

2016-01-01

Abstract The aim was to develop a multidimensional computerized adaptive short-form questionnaire, the MusiQoL-MCAT, from a fixed-length QoL questionnaire for multiple sclerosis. A total of 1992 patients were enrolled in this international cross-sectional study. The development of the MusiQoL-MCAT was based on the assessment of between-items MIRT model fit followed by real-data simulations. The MCAT algorithm was based on Bayesian maximum a posteriori estimation of latent traits and Kullback–Leibler information item selection. We examined several simulations based on a fixed number of items. Accuracy was assessed using correlations (r) between initial IRT scores and MCAT scores. Precision was assessed using the standard error measurement (SEM) and the root mean square error (RMSE). The multidimensional graded response model was used to estimate item parameters and IRT scores. Among the MCAT simulations, the 16-item version of the MusiQoL-MCAT was selected because the accuracy and precision became stable with 16 items with satisfactory levels (r ≥ 0.9, SEM ≤ 0.55, and RMSE ≤ 0.3). External validity of the MusiQoL-MCAT was satisfactory. The MusiQoL-MCAT presents satisfactory properties and can individually tailor QoL assessment to each patient, making it less burdensome to patients and better adapted for use in clinical practice. PMID:27057832

Probing Silica-Biomolecule Interactions by Solid-State NMR and Molecular Dynamics Simulations.

PubMed

Brückner, Stephan Ingmar; Donets, Sergii; Dianat, Arezoo; Bobeth, Manfred; Gutiérrez, Rafael; Cuniberti, Gianaurelio; Brunner, Eike

2016-11-08

Understanding the molecular interactions between inorganic phases such as silica and organic material is fundamental for chromatographic applications, for tailoring silica-enzyme interactions, and for elucidating the mechanisms of biomineralization. The formation, structure, and properties of the organic/inorganic interface is crucial in this context. Here, we investigate the interaction of selectively 13 C-labeled choline with 29 Si-labeled monosilicic acid/silica at the molecular level. Silica/choline nanocomposites were analyzed by solid-state NMR spectroscopy in combination with extended molecular dynamics (MD) simulations to understand the silica/organic interface. Cross-polarization magic angle spinning (CP MAS)-based NMR experiments like 1 H- 13 C CP-REDOR (rotational-echo double resonance), 1 H- 13 C HETCOR (heteronuclear correlation), and 1 H- 29 Si- 1 H double CP are employed to determine spatial parameters. The measurement of 29 Si- 13 C internuclear distances for selectively 13 C-labeled choline provides an experimental parameter that allows the direct verification of MD simulations. Atomistic modeling using classical MD methodologies is performed using the INTERFACE force field. The modeling results are in excellent agreement with the experimental data and reveal the relevant molecular conformations as well as the nature and interplay of the interactions between the choline cation and the silica surface. Electrostatic interactions and hydrogen bonding are both important and depend strongly on the hydration level as well as the charge state of the silica surface.

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.

Integrated optomechanical analysis and testing software development at MIT Lincoln Laboratory

NASA Astrophysics Data System (ADS)

Stoeckel, Gerhard P.; Doyle, Keith B.

2013-09-01

Advanced analytical software capabilities are being developed to advance the design of prototypical hardware in the Engineering Division at MIT Lincoln Laboratory. The current effort is focused on the integration of analysis tools tailored to the work flow, organizational structure, and current technology demands. These tools are being designed to provide superior insight into the interdisciplinary behavior of optical systems and enable rapid assessment and execution of design trades to optimize the design of optomechanical systems. The custom software architecture is designed to exploit and enhance the functionality of existing industry standard commercial software, provide a framework for centralizing internally developed tools, and deliver greater efficiency, productivity, and accuracy through standardization, automation, and integration. Specific efforts have included the development of a feature-rich software package for Structural-Thermal-Optical Performance (STOP) modeling, advanced Line Of Sight (LOS) jitter simulations, and improved integration of dynamic testing and structural modeling.

QSPIN: A High Level Java API for Quantum Computing Experimentation

NASA Technical Reports Server (NTRS)

Barth, Tim

2017-01-01

QSPIN is a high level Java language API for experimentation in QC models used in the calculation of Ising spin glass ground states and related quadratic unconstrained binary optimization (QUBO) problems. The Java API is intended to facilitate research in advanced QC algorithms such as hybrid quantum-classical solvers, automatic selection of constraint and optimization parameters, and techniques for the correction and mitigation of model and solution errors. QSPIN includes high level solver objects tailored to the D-Wave quantum annealing architecture that implement hybrid quantum-classical algorithms [Booth et al.] for solving large problems on small quantum devices, elimination of variables via roof duality, and classical computing optimization methods such as GPU accelerated simulated annealing and tabu search for comparison. A test suite of documented NP-complete applications ranging from graph coloring, covering, and partitioning to integer programming and scheduling are provided to demonstrate current capabilities.

Facilitating LOS Debriefings: A Training Manual

NASA Technical Reports Server (NTRS)

McDonnell, Lori K.; Jobe, Kimberly K.; Dismukes, R. Key

1997-01-01

This manual is a practical guide to help airline instructors effectively facilitate debriefings of Line Oriented Simulations (LOS). It is based on a recently completed study of Line Oriented Flight Training (LOFT) debriefings at several U.S. airlines. This manual presents specific facilitation tools instructors can use to achieve debriefing objectives. The approach of the manual is to be flexible so it can be tailored to the individual needs of each airline. Part One clarifies the purpose and objectives of facilitation in the LOS setting. Part Two provides recommendations for clarifying roles and expectations and presents a model for organizing discussion. Part Tree suggests techniques for eliciting active crew participation and in-depth analysis and evaluation. Finally, in Part Four, these techniques are organized according to the facilitation model. Examples of how to effectively use the techniques are provided throughout, including strategies to try when the debriefing objectives are not being fully achieved.

Responsive Copolymers for Enhanced Petroleum Recovery

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

McCormick, Charles; Hester, Roger

The objectives of this work was to: (1) synthesize responsive, amphiphilic systems; (2) characterize molecular structure and solution behavior; (3) measure rheological properties of the aqueous fluids including behavior in fixed geometry flow profiles and beds; and (4) to tailor polymer compositions for in situ rheology control under simulated reservoir conditions.

Entangling spin-spin interactions of ions in individually controlled potential wells

NASA Astrophysics Data System (ADS)

Wilson, Andrew; Colombe, Yves; Brown, Kenton; Knill, Emanuel; Leibfried, Dietrich; Wineland, David

2014-03-01

Physical systems that cannot be modeled with classical computers appear in many different branches of science, including condensed-matter physics, statistical mechanics, high-energy physics, atomic physics and quantum chemistry. Despite impressive progress on the control and manipulation of various quantum systems, implementation of scalable devices for quantum simulation remains a formidable challenge. As one approach to scalability in simulation, here we demonstrate an elementary building-block of a configurable quantum simulator based on atomic ions. Two ions are trapped in separate potential wells that can individually be tailored to emulate a number of different spin-spin couplings mediated by the ions' Coulomb interaction together with classical laser and microwave fields. We demonstrate deterministic tuning of this interaction by independent control of the local wells and emulate a particular spin-spin interaction to entangle the internal states of the two ions with 0.81(2) fidelity. Extension of the building-block demonstrated here to a 2D-network, which ion-trap micro-fabrication processes enable, may provide a new quantum simulator architecture with broad flexibility in designing and scaling the arrangement of ions and their mutual interactions. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), ONR, and the NIST Quantum Information Program.

Coherence of simulated atmospheric boundary-layer turbulence

NASA Astrophysics Data System (ADS)

Jiadong, Zeng; Zhiguo, Li; Mingshui, Li

2017-12-01

The coherences in a plane perpendicular to incoming flow are measured in wind tunnel simulations of atmospheric turbulent flow. The measured coherences are compared with analytical expressions tailored to field measurements and with theoretical coherence models which assume homogeneous turbulence and the von Kármán’s spectrum. The comparison indicates that the simulated atmospheric boundary layer flow is approximately horizontally homogeneous turbulence. Based on the above assumption and the systematic analysis of lateral coherence, it can be concluded that the lateral coherences of simulated atmospheric boundary turbulence can be determined accurately using the von Kármán spectrum and the turbulence parameters measured by a few measurement points. The measured results also show that the spatial characteristics of vertical coherences are closely related to the dimensionless parameter {{Δ }}z/({\\bar{z}}0.3{L}ux 0.7). The vertical coherence at two heights can be roughly estimated by the ratio to {{Δ }}z/({\\bar{z}}0.3{L}ux 0.7). The relationship between the phase angles of u-, v- and w-components and the vertical separation distance and the height from the ground is further analyzed. Finally, the roles of the type of land surface roughness, the height from the ground, the turbulence intensity and the integral length scale in lateral and vertical coherences are also discussed in this study.

Towards Attosecond High-Energy Electron Bunches: Controlling Self-Injection in Laser-Wakefield Accelerators Through Plasma-Density Modulation

NASA Astrophysics Data System (ADS)

Tooley, M. P.; Ersfeld, B.; Yoffe, S. R.; Noble, A.; Brunetti, E.; Sheng, Z. M.; Islam, M. R.; Jaroszynski, D. A.

2017-07-01

Self-injection in a laser-plasma wakefield accelerator is usually achieved by increasing the laser intensity until the threshold for injection is exceeded. Alternatively, the velocity of the bubble accelerating structure can be controlled using plasma density ramps, reducing the electron velocity required for injection. We present a model describing self-injection in the short-bunch regime for arbitrary changes in the plasma density. We derive the threshold condition for injection due to a plasma density gradient, which is confirmed using particle-in-cell simulations that demonstrate injection of subfemtosecond bunches. It is shown that the bunch charge, bunch length, and separation of bunches in a bunch train can be controlled by tailoring the plasma density profile.

Decision Support and the Effectiveness of Web-based Delivery and Information Tailoring for Bowel Cancer Screening: An Exploratory Study

PubMed Central

Wilson, Carlene J; Zajac, Ian T; Hart, Elizabeth; McGillivray, Jane A

2012-01-01

Background Colorectal cancer (CRC) is the third most commonly diagnosed cancer in males and the second in females throughout the developed world. Population screening using fecal occult blood tests (FOBTs) facilitates early detection and greater chance of survival, but participation rates are low. We developed a Web-based decision tool to provide information tailored to an individual’s decision stage for CRC screening and attitude toward screening utilizing the Preventive Health Model (PHM) and Precaution Adoption Process Model (PAPM) as theoretical frameworks for screening behavior. We describe the practical steps employed in the tool’s design and the subsequent conduct of an exploratory study. Objective To design a decision tool for CRC screening and conduct an exploratory study among average-risk men and women to (1) test the impact of message type (tailored vs non-tailored) and message delivery modality (Web-based vs paper-based) on attitudes toward screening and screening uptake, and (2) investigate the acceptability of the decision tool and relevance of materials. Methods Participants (n = 100), recruited from a population sample of men and women aged 50-76 residing in urban Adelaide, Australia, were randomly assigned to a control group or one of 4 interventions: (1) Web-based and tailored information, (2) paper-based and tailored information, (3) Web-based and non-tailored (generic) information, or (4) paper-based and non-tailored information. Participation was augmented by snowball recruitment (n = 19). Questionnaires based on PHM variables were administered pre- and post-intervention. Participants were given the opportunity to request an FOBT. Following the intervention, participants discussed the acceptability of the tool. Results Full data were available for 87.4% (104/119) of participants. Post-intervention, perceived susceptibility scores for individuals receiving tailored information increased from mean 10.6 (SD 2.1) to mean 11.8 (SD 2.2). Scores on self-efficacy increased in the tailored group from mean 11.7 (SD 2.0) to mean 12.6 (SD 1.8). There were significant time x modality x message effects for social influence and salience and coherence, reflecting an increase in these scores for tailored Web-based participants only; social influence scores increased from mean 11.7 (SD 2.6) to mean 14.9 (SD 2.3), and salience and coherence scores increased from mean 16.0 (SD 2.2) to mean 17.7 (SD 2.1). There was no greater influence of modality or message type on movement toward a decision to screen or screening uptake, indicating that neither tailored messages nor a Web modality had superior effect. Overall, participants regarded tailored messages positively, but thought that the Web tool lacked “media richness.” Conclusions This exploratory study confirms that tailoring on PHM predictors of CRC screening has the potential to positively address attitudes toward screening. However, tailoring on these variables did not result in significantly increased screening uptake. Future research should consider other possible psychosocial influences. Mode of delivery did not affect outcomes, but as a delivery medium, the Web has economic and logistical advantages over paper. PMID:23611950

Enterprise application architecture development based on DoDAF and TOGAF

NASA Astrophysics Data System (ADS)

Tao, Zhi-Gang; Luo, Yun-Feng; Chen, Chang-Xin; Wang, Ming-Zhe; Ni, Feng

2017-05-01

For the purpose of supporting the design and analysis of enterprise application architecture, here, we report a tailored enterprise application architecture description framework and its corresponding design method. The presented framework can effectively support service-oriented architecting and cloud computing by creating the metadata model based on architecture content framework (ACF), DoDAF metamodel (DM2) and Cloud Computing Modelling Notation (CCMN). The framework also makes an effort to extend and improve the mapping between The Open Group Architecture Framework (TOGAF) application architectural inputs/outputs, deliverables and Department of Defence Architecture Framework (DoDAF)-described models. The roadmap of 52 DoDAF-described models is constructed by creating the metamodels of these described models and analysing the constraint relationship among metamodels. By combining the tailored framework and the roadmap, this article proposes a service-oriented enterprise application architecture development process. Finally, a case study is presented to illustrate the results of implementing the tailored framework in the Southern Base Management Support and Information Platform construction project using the development process proposed by the paper.

Material and Thickness Grading for Aeroelastic Tailoring of the Common Research Model Wing Box

NASA Technical Reports Server (NTRS)

Stanford, Bret K.; Jutte, Christine V.

2014-01-01

This work quantifies the potential aeroelastic benefits of tailoring a full-scale wing box structure using tailored thickness distributions, material distributions, or both simultaneously. These tailoring schemes are considered for the wing skins, the spars, and the ribs. Material grading utilizes a spatially-continuous blend of two metals: Al and Al+SiC. Thicknesses and material fraction variables are specified at the 4 corners of the wing box, and a bilinear interpolation is used to compute these parameters for the interior of the planform. Pareto fronts detailing the conflict between static aeroelastic stresses and dynamic flutter boundaries are computed with a genetic algorithm. In some cases, a true material grading is found to be superior to a single-material structure.

A cost-effectiveness comparison of three tailored interventions to increase mammography screening.

PubMed

Saywell, Robert M; Champion, Victoria L; Skinner, Celette Sugg; Menon, Usha; Daggy, Joanne

2004-10-01

Mammography is the primary method used for breast cancer screening. However, adherence to recommended screening practices is still below acceptable levels. This study examined the cost-effectiveness of three combinations of tailored telephone and mailed intervention strategies for increasing adherence to mammography. There were 1044 participants who were randomly assigned to one of four groups. A logistic regression model with adherence as the dependent variable and group as the independent variable was used to test for significant differences, and a ratio of cost/improvement in mammogram adherence evaluated the cost-effectiveness. All three of the interventions (tailored telephone, tailored mail, and tailored telephone and mail) had significantly better adherence rates compared with the control group (usual care). However, when also considering costs, one emerged as the superior strategy. The cost-effectiveness ratios for the three interventions show that the tailored mail (letter) was the most cost-effective strategy, achieving 43.3% mammography adherence at a marginal cost of dollar 0.39 per 1% increase in women screened. The tailored mail plus telephone achieved greater adherence (49.4%), but at a higher cost (dollar 0.56 per 1% increase in women screened). A tailored mail reminder is an effective and economical intervention to increase mammography adherence. Future research should confirm this finding and address its applicability to practice in other settings.

Incorporating immersive virtual environments in health promotion campaigns: a construal level theory approach.

PubMed

Ahn, Sun Joo Grace

2015-01-01

In immersive virtual environments (IVEs), users may observe negative consequences of a risky health behavior in a personally involving way via digital simulations. In the context of an ongoing health promotion campaign, IVEs coupled with pamphlets are proposed as a novel messaging strategy to heighten personal relevance and involvement with the issue of soft-drink consumption and obesity, as well as perceptions that the risk is proximal and imminent. The framework of construal level theory guided the design of a 2 (tailoring: other vs. self) × 2 (medium: pamphlet only vs. pamphlet with IVEs) between-subjects experiment to test the efficacy in reducing the consumption of soft drinks over 1 week. Immediately following exposure, tailoring the message to the self (vs. other) seemed to be effective in reducing intentions to consume soft drinks. The effect of tailoring dissipated after 1 week, and measures of actual soft-drink consumption 1 week following experimental treatments demonstrated that coupling IVEs with the pamphlet was more effective. Behavioral intention was a significant predictor of actual behavior, but underlying mechanisms driving intentions and actual behavior were distinct. Results prescribed a messaging strategy that incorporates both tailoring and coupling IVEs with traditional media to increase behavioral changes over time.

Quadruplex digital flight control system assessment

NASA Technical Reports Server (NTRS)

Mulcare, D. B.; Downing, L. E.; Smith, M. K.

1988-01-01

Described are the development and validation of a double fail-operational digital flight control system architecture for critical pitch axis functions. Architectural tradeoffs are assessed, system simulator modifications are described, and demonstration testing results are critiqued. Assessment tools and their application are also illustrated. Ultimately, the vital role of system simulation, tailored to digital mechanization attributes, is shown to be essential to validating the airworthiness of full-time critical functions such as augmented fly-by-wire systems for relaxed static stability airplanes.

Rover Attitude and Pointing System Simulation Testbed

NASA Technical Reports Server (NTRS)

Vanelli, Charles A.; Grinblat, Jonathan F.; Sirlin, Samuel W.; Pfister, Sam

2009-01-01

The MER (Mars Exploration Rover) Attitude and Pointing System Simulation Testbed Environment (RAPSSTER) provides a simulation platform used for the development and test of GNC (guidance, navigation, and control) flight algorithm designs for the Mars rovers, which was specifically tailored to the MERs, but has since been used in the development of rover algorithms for the Mars Science Laboratory (MSL) as well. The software provides an integrated simulation and software testbed environment for the development of Mars rover attitude and pointing flight software. It provides an environment that is able to run the MER GNC flight software directly (as opposed to running an algorithmic model of the MER GNC flight code). This improves simulation fidelity and confidence in the results. Further more, the simulation environment allows the user to single step through its execution, pausing, and restarting at will. The system also provides for the introduction of simulated faults specific to Mars rover environments that cannot be replicated in other testbed platforms, to stress test the GNC flight algorithms under examination. The software provides facilities to do these stress tests in ways that cannot be done in the real-time flight system testbeds, such as time-jumping (both forwards and backwards), and introduction of simulated actuator faults that would be difficult, expensive, and/or destructive to implement in the real-time testbeds. Actual flight-quality codes can be incorporated back into the development-test suite of GNC developers, closing the loop between the GNC developers and the flight software developers. The software provides fully automated scripting, allowing multiple tests to be run with varying parameters, without human supervision.

Optimization of current waveform tailoring for magnetically driven isentropic compression experiments

NASA Astrophysics Data System (ADS)

Waisman, E. M.; Reisman, D. B.; Stoltzfus, B. S.; Stygar, W. A.; Cuneo, M. E.; Haill, T. A.; Davis, J.-P.; Brown, J. L.; Seagle, C. T.; Spielman, R. B.

2016-06-01

The Thor pulsed power generator is being developed at Sandia National Laboratories. The design consists of up to 288 decoupled and transit time isolated capacitor-switch units, called "bricks," that can be individually triggered to achieve a high degree of pulse tailoring for magnetically driven isentropic compression experiments (ICE) [D. B. Reisman et al., Phys. Rev. Spec. Top.-Accel. Beams 18, 090401 (2015)]. The connecting transmission lines are impedance matched to the bricks, allowing the capacitor energy to be efficiently delivered to an ICE strip-line load with peak pressures of over 100 GPa. Thor will drive experiments to explore equation of state, material strength, and phase transition properties of a wide variety of materials. We present an optimization process for producing tailored current pulses, a requirement for many material studies, on the Thor generator. This technique, which is unique to the novel "current-adder" architecture used by Thor, entirely avoids the iterative use of complex circuit models to converge to the desired electrical pulse. We begin with magnetohydrodynamic simulations for a given material to determine its time dependent pressure and thus the desired strip-line load current and voltage. Because the bricks are connected to a central power flow section through transit-time isolated coaxial cables of constant impedance, the brick forward-going pulses are independent of each other. We observe that the desired equivalent forward-going current driving the pulse must be equal to the sum of the individual brick forward-going currents. We find a set of optimal brick delay times by requiring that the L2 norm of the difference between the brick-sum current and the desired forward-going current be a minimum. We describe the optimization procedure for the Thor design and show results for various materials of interest.

Optimization of current waveform tailoring for magnetically driven isentropic compression experiments.

PubMed

Waisman, E M; Reisman, D B; Stoltzfus, B S; Stygar, W A; Cuneo, M E; Haill, T A; Davis, J-P; Brown, J L; Seagle, C T; Spielman, R B

2016-06-01

The Thor pulsed power generator is being developed at Sandia National Laboratories. The design consists of up to 288 decoupled and transit time isolated capacitor-switch units, called "bricks," that can be individually triggered to achieve a high degree of pulse tailoring for magnetically driven isentropic compression experiments (ICE) [D. B. Reisman et al., Phys. Rev. Spec. Top.-Accel. Beams 18, 090401 (2015)]. The connecting transmission lines are impedance matched to the bricks, allowing the capacitor energy to be efficiently delivered to an ICE strip-line load with peak pressures of over 100 GPa. Thor will drive experiments to explore equation of state, material strength, and phase transition properties of a wide variety of materials. We present an optimization process for producing tailored current pulses, a requirement for many material studies, on the Thor generator. This technique, which is unique to the novel "current-adder" architecture used by Thor, entirely avoids the iterative use of complex circuit models to converge to the desired electrical pulse. We begin with magnetohydrodynamic simulations for a given material to determine its time dependent pressure and thus the desired strip-line load current and voltage. Because the bricks are connected to a central power flow section through transit-time isolated coaxial cables of constant impedance, the brick forward-going pulses are independent of each other. We observe that the desired equivalent forward-going current driving the pulse must be equal to the sum of the individual brick forward-going currents. We find a set of optimal brick delay times by requiring that the L2 norm of the difference between the brick-sum current and the desired forward-going current be a minimum. We describe the optimization procedure for the Thor design and show results for various materials of interest.

The sources of atmospheric black carbon at a European gateway to the Arctic

PubMed Central

Winiger, P; Andersson, A; Eckhardt, S; Stohl, A; Gustafsson, Ö.

2016-01-01

Black carbon (BC) aerosols from incomplete combustion of biomass and fossil fuel contribute to Arctic climate warming. Models—seeking to advise mitigation policy—are challenged in reproducing observations of seasonally varying BC concentrations in the Arctic air. Here we compare year-round observations of BC and its δ13C/Δ14C-diagnosed sources in Arctic Scandinavia, with tailored simulations from an atmospheric transport model. The model predictions for this European gateway to the Arctic are greatly improved when the emission inventory of anthropogenic sources is amended by satellite-derived estimates of BC emissions from fires. Both BC concentrations (R2=0.89, P<0.05) and source contributions (R2=0.77, P<0.05) are accurately mimicked and linked to predominantly European emissions. This improved model skill allows for more accurate assessment of sources and effects of BC in the Arctic, and a more credible scientific underpinning of policy efforts aimed at efficiently reducing BC emissions reaching the European Arctic. PMID:27627859

An Approach to Building a Learning Management System that Emphasizes on Incorporating Individualized Dissemination with Intelligent Tutoring

NASA Astrophysics Data System (ADS)

Ghosh, Sreya

2017-02-01

This article proposes a new six-model architecture for an intelligent tutoring system to be incorporated in a learning management system with domain-independence feature and individualized dissemination. The present six model architecture aims to simulate a human tutor. Some recent extensions of using intelligent tutoring system (ITS) explores learning management systems to behave as a real teacher during a teaching-learning process, by taking care of, mainly, the dynamic response system. However, the present paper argues that to mimic a human teacher it needs not only the dynamic response but also the incorporation of the teacher's dynamic review of students' performance and keeping track of their current level of understanding. Here, the term individualization has been used to refer to tailor making of contents and its dissemination fitting to the individual needs and capabilities of learners who is taking a course online and is subjected to teaching in absentia. This paper describes how the individual models of the proposed architecture achieves the features of ITS.

Model evaluation using a community benchmarking system for land surface models

NASA Astrophysics Data System (ADS)

Mu, M.; Hoffman, F. M.; Lawrence, D. M.; Riley, W. J.; Keppel-Aleks, G.; Kluzek, E. B.; Koven, C. D.; Randerson, J. T.

2014-12-01

Evaluation of atmosphere, ocean, sea ice, and land surface models is an important step in identifying deficiencies in Earth system models and developing improved estimates of future change. For the land surface and carbon cycle, the design of an open-source system has been an important objective of the International Land Model Benchmarking (ILAMB) project. Here we evaluated CMIP5 and CLM models using a benchmarking system that enables users to specify models, data sets, and scoring systems so that results can be tailored to specific model intercomparison projects. Our scoring system used information from four different aspects of global datasets, including climatological mean spatial patterns, seasonal cycle dynamics, interannual variability, and long-term trends. Variable-to-variable comparisons enable investigation of the mechanistic underpinnings of model behavior, and allow for some control of biases in model drivers. Graphics modules allow users to evaluate model performance at local, regional, and global scales. Use of modular structures makes it relatively easy for users to add new variables, diagnostic metrics, benchmarking datasets, or model simulations. Diagnostic results are automatically organized into HTML files, so users can conveniently share results with colleagues. We used this system to evaluate atmospheric carbon dioxide, burned area, global biomass and soil carbon stocks, net ecosystem exchange, gross primary production, ecosystem respiration, terrestrial water storage, evapotranspiration, and surface radiation from CMIP5 historical and ESM historical simulations. We found that the multi-model mean often performed better than many of the individual models for most variables. We plan to publicly release a stable version of the software during fall of 2014 that has land surface, carbon cycle, hydrology, radiation and energy cycle components.

The tailored activity program (TAP) to address behavioral disturbances in frontotemporal dementia: a feasibility and pilot study.

PubMed

O'Connor, Claire M; Clemson, Lindy; Brodaty, Henry; Low, Lee-Fay; Jeon, Yun-Hee; Gitlin, Laura N; Piguet, Olivier; Mioshi, Eneida

2017-10-15

To explore the feasibility of implementing the Tailored Activity Program with a cohort of people with frontotemporal dementia and their carers (dyads). The Tailored Activity Program is an occupational therapy based intervention that involves working collaboratively with family carers and prescribes personalized activities for behavioral management in people with dementia. Twenty dyads randomized into the study (Tailored Activity Program: n = 9; Control: n = 11) were assessed at baseline and 4-months. Qualitative analyzes evaluated feasibility and acceptability of the program for the frontotemporal dementia cohort, and quantitative analyzes (linear mixed model analyzes, Spearman's rho correlations) measured the impact of the program on the dyads. The Tailored Activity Program was an acceptable intervention for the frontotemporal dementia dyads. Qualitative analyses identified five themes: "carer perceived benefits", "carer readiness to change", "strategies used by carer to engage person with dementia", "barriers to the Tailored Activity Program uptake/implementation", and "person with dementia engagement". Quantitative outcomes showed an overall reduction of behavioral symptoms (F 18.34  = 8.073, p = 0.011) and maintenance of functional performance in the person with dementia (F 18.03  = 0.375, p = 0.548). This study demonstrates the potential for using an activity-based intervention such as the Tailored Activity Program in frontotemporal dementia. Service providers should recognize that while people with frontotemporal dementia present with challenging issues, tailored therapies may support their function and reduce their behavioral symptoms. Implications for rehabilitation The Tailored Activity Program is an occupational therapy based intervention that involves prescribing personalized activities for behavioral management in dementia. The Tailored Activity Program is an acceptable and feasible intervention approach to address some of the unique behavioral and functional impairments inherent in frontotemporal dementia.

Molecular Dynamics Simulations of Hydration Effects on Solvation, Diffusivity, and Permeability in Chitosan/Chitin Films.

PubMed

McDonnell, Marshall T; Greeley, Duncan A; Kit, Kevin M; Keffer, David J

2016-09-01

The effects of hydration on the solvation, diffusivity, solubility, and permeability of oxygen molecules in sustainable, biodegradable chitosan/chitin food packaging films were studied via molecular dynamics and confined random walk simulations. With increasing hydration, the membrane has a more homogeneous water distribution with the polymer chains being fully solvated. The diffusivity increased by a factor of 4 for oxygen molecules and by an order of magnitude for water with increasing the humidity. To calculate the Henry's constant and solubility of oxygen in the membranes with changing hydration, the excess chemical potential was calculated via free energy perturbation, thermodynamic integration and direct particle deletion methods. The simulations predicted a higher solubility and permeability for the lower humidity, in contradiction to experimental results. All three methods for calculating the solubility were in good agreement. It was found that the Coulombic interactions in the potential caused the oxygen to bind too strongly to the protonated amine group. Insight from this work will help guide molecular modeling of chitosan/chitin membranes, specifically permeability measurements for small solute molecules. Efforts to chemically tailor chitosan/chitin membranes to favor discrete as opposed to continuous aqueous domains could reduce oxygen permeability.

Evaluation of General and Tailor Made Force Fields via X-ray Thermal Diffuse Scattering Using Molecular Dynamics and Monte Carlo Simulations of Crystalline Aspirin.

PubMed

Chan, Eric J; Neumann, Marcus A

2018-04-10

We have performed a comparison of the experimental thermal diffuse scattering (TDS) from crystalline Aspirin (form I) to that calculated from molecular dynamics (MD) simulations based on a variety of general force fields and a tailor-made force field (TMFF). A comparison is also made with Monte Carlo (MC) simulations which use a "harmonic network" approach to describe the intermolecular interactions. These comparisons were based on the hypothesis that TDS could be a useful experimental data in validation of such simulation parameter sets, especially when calculations of dynamical properties (e.g., thermodynamic free energies) from molecular crystals are concerned. Currently such a validation of force field parameters against experimental data is often limited to calculation of specific physical properties, e.g., absolute lattice energies usually at 0 K or heat capacity measurements. TDS harvested from in-house or synchrotron experiments comprises highly detailed structural information representative of the dynamical motions of the crystal lattice. Thus, TDS is a well-suited experimental data-driven means of cross validating theoretical approaches targeted at understanding dynamical properties of crystals. We found from the results of our investigation that the TMFF and COMPASS (from the commercial software "Materials Studio") parameter sets gave the best agreement with experiment. From our homologous MC simulation analysis we are able to show that force constants associated with the molecular torsion angles are likely to be a strong contributing factor for the apparent reason why these aforementioned force fields performed better.

The perceived value of using BIM for energy simulation

NASA Astrophysics Data System (ADS)

Lewis, Anderson M.

Building Information Modeling (BIM) is becoming an increasingly important tool in the Architectural, Engineering & Construction (AEC) industries. Some of the benefits associated with BIM include but are not limited to cost and time savings through greater trade and design coordination, and more accurate estimating take-offs. BIM is a virtual 3D, parametric design software that allows users to store information of a model within and can be used as a communication platform between project stakeholders. Likewise, energy simulation is an integral tool for predicting and optimizing a building's performance during design. Creating energy models and running energy simulations can be a time consuming activity due to the large number of parameters and assumptions that must be addressed to achieve reasonably accurate results. However, leveraging information imbedded within Building Information Models (BIMs) has the potential to increase accuracy and reduce the amount of time required to run energy simulations and can facilitate continuous energy simulations throughout the design process, thus optimizing building performance. Although some literature exists on how design stakeholders perceive the benefits associated with leveraging BIM for energy simulation, little is known about how perceptions associated with leveraging BIM for energy simulation differ between various green design stakeholder user groups. Through an e-survey instrument, this study seeks to determine how perceptions of using BIMs to inform energy simulation differ among distinct design stakeholder groups, which include BIM-only users, energy simulation-only users and BIM and energy simulation users. Additionally, this study seeks to determine what design stakeholders perceive as the main barriers and benefits of implementing BIM-based energy simulation. Results from this study suggest that little to no correlation exists between green design stakeholders' perceptions of the value associated with using information from BIMs to inform energy simulation and their engagement level with BIM and/or energy simulation. However, green design stakeholder perceptions of the value associated with using information from BIMs to inform energy simulation and their engagement with BIM and/or energy simulation may differ between different user groups (i.e. BIM users only, energy simulation users only, and BIM and energy simulation users). For example, the BIM-only user groups appeared to have a strong positive correlation between the perceptions of the value associated with using information from BIMs to inform energy simulation and their engagement with BIM. Additionally, this study suggests that the top perceived benefits of using BIMs to inform energy simulations among green design stakeholders are: facilitation of communication, reducing of process related costs, and giving users the ability examine more design options. The main perceived barrier of using BIMs to inform energy simulations among green design stakeholders was a lack of BIM standards for model integration with multidisciplinary teams. Results from this study will help readers understand how to better implement BIM-based energy simulation while mitigating barriers and optimizing benefits. Additionally, examining discrepancies between user groups can lead the identification and improvement of shortfalls in current BIM-based energy simulation processes. Understanding how perceptions and engagement levels differ among different software user groups will help in developing a strategies for implementing BIM-based energy simulation that are tailored to each specific user group.

Development of item bank to measure deliberate self-harm behaviours: facilitating tailored scales and computer adaptive testing for specific research and clinical purposes.

PubMed

Latimer, Shane; Meade, Tanya; Tennant, Alan

2014-07-30

The purpose of this study was to investigate the application of item banking to questionnaire items intended to measure Deliberate Self-Harm (DSH) behaviours. The Rasch measurement model was used to evaluate behavioural items extracted from seven published DSH scales administered to 568 Australians aged 18-30 years (62% university students, 21% mental health patients, and 17% community members). Ninety four items were calibrated in the item bank (including 12 items with differential item functioning for gender and age). Tailored scale construction was demonstrated by extracting scales covering different combinations of DSH methods but with the same raw score for each person location on the latent DSH construct. A simulated computer adaptive test (starting with common self-harm methods to minimise presentation of extreme behaviours) demonstrated that 11 items (on average) were needed to achieve a standard error of measurement of 0.387 (corresponding to a Cronbach׳s Alpha of 0.85). This study lays the groundwork for advancing DSH measurement to an item bank approach with the flexibility to measure a specific definitional orientation (e.g., non-suicidal self-injury) or a broad continuum of self-harmful acts, as appropriate to a particular research/clinical purpose. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Tailored prevention of inpatient falls: development and usability testing of the fall TIPS toolkit.

PubMed

Zuyev, Lyubov; Benoit, Angela N; Chang, Frank Y; Dykes, Patricia C

2011-02-01

Patient falls and fall-related injuries are serious problems in hospitals. The Fall TIPS application aims to prevent patient falls by translating routine nursing fall risk assessment into a decision support intervention that communicates fall risk status and creates a tailored evidence-based plan of care that is accessible to the care team, patients, and family members. In our design and implementation of the Fall TIPS toolkit, we used the Spiral Software Development Life Cycle model. Three output tools available to be generated from the toolkit are bed poster, plan of care, and patient education handout. A preliminary design of the application was based on initial requirements defined by project leaders and informed by focus groups with end users. Preliminary design partially simulated the paper version of the Morse Fall Scale currently used in hospitals involved in the research study. Strengths and weaknesses of the first prototype were identified by heuristic evaluation. Usability testing was performed at sites where research study is implemented. Suggestions mentioned by end users participating in usability studies were either directly incorporated into the toolkit and output tools, were slightly modified, or will be addressed during training. The next step is implementation of the fall prevention toolkit on the pilot testing units.

Crisis Management Simulation: Establishing a Dual Neurosurgery and Anesthesia Training Experience.

PubMed

Ciporen, Jeremy; Gillham, Haley; Noles, Michele; Dillman, Dawn; Baskerville, Mark; Haley, Caleb; Spight, Donn; Turner, Ryan C; Lucke-Wold, Brandon P

2018-01-01

Simulation training has been shown to be an effective teaching tool. Learner management of an intraoperative crisis such as a major cerebrovascular bleed requires effective teamwork, communication, and implementation of key skill sets at appropriate time points. This study establishes a first of a kind simulation experience in a neurosurgery/anesthesia resident (learners) team working together to manage an intraoperative crisis. Using a cadaveric cavernous carotid injury perfusion model, 7 neurosurgery and 6 anesthesia learners, were trained on appropriate vascular injury management using an endonasal endoscopic technique. Learners were evaluated on communication skills, crisis management algorithms, and implementation of appropriate skill sets at the right time. A preanatomic and postanatomic examination and postsimulation survey was administered to neurosurgery learners. Anesthesia learners provided posttraining evaluation through a tailored realism and teaching survey. Neurosurgery learners' anatomic examination score improved from presimulation (33.89%) to postsimulation (86.11%). No significant difference between learner specialties was observed for situation awareness, decision making, communications and teamwork, or leadership evaluations. Learners reported the simulation realistic, beneficial, and highly instructive. Realistic, first of kind, clinical simulation scenarios were presented to a neurosurgery/anesthesia resident team who worked together to manage an intraoperative crisis. Learners were effectively trained on crisis management, the importance of communication, and how to develop algorithms for future implementation in difficult scenarios. Learners were highly satisfied with the simulation training experience and requested that it be integrated more consistently into their residency training programs.

Developing an Evidence-Informed Support Service for Schools--Reflections on a UK Model

ERIC Educational Resources Information Center

Sharples, Jonathan

2015-01-01

This paper reports on a "proof-of-concept" for evidence-informed practice, whereby schools are provided with tailored support in accessing research evidence and help in implementing evidence-based approaches. Two aspects of intermediary brokerage are explored: (a) creating tailored summary materials for schools, based on education…

A Brief Culturally Tailored Intervention for Puerto Ricans with Type 2 Diabetes

ERIC Educational Resources Information Center

Osborn, Chandra Y.; Amico, K. R.; Cruz, Noemi; O'Connell, Ann A.; Perez-Escamilla, Rafael; Kalichman, Seth C.; Wolf, Scott A.; Fisher, Jeffrey D.

2010-01-01

The information-motivation-behavioral skills (IMB) model of health behavior change informed the design of a brief, culturally tailored diabetes self-care intervention for Puerto Ricans with type 2 diabetes. Participants (n = 118) were recruited from an outpatient, primary care clinic at an urban hospital in the northeast United States. ANCOVA…

Rapid Prototyping of Hydrologic Model Interfaces with IPython

NASA Astrophysics Data System (ADS)

Farthing, M. W.; Winters, K. D.; Ahmadia, A. J.; Hesser, T.; Howington, S. E.; Johnson, B. D.; Tate, J.; Kees, C. E.

2014-12-01

A significant gulf still exists between the state of practice and state of the art in hydrologic modeling. Part of this gulf is due to the lack of adequate pre- and post-processing tools for newly developed computational models. The development of user interfaces has traditionally lagged several years behind the development of a particular computational model or suite of models. As a result, models with mature interfaces often lack key advancements in model formulation, solution methods, and/or software design and technology. Part of the problem has been a focus on developing monolithic tools to provide comprehensive interfaces for the entire suite of model capabilities. Such efforts require expertise in software libraries and frameworks for creating user interfaces (e.g., Tcl/Tk, Qt, and MFC). These tools are complex and require significant investment in project resources (time and/or money) to use. Moreover, providing the required features for the entire range of possible applications and analyses creates a cumbersome interface. For a particular site or application, the modeling requirements may be simplified or at least narrowed, which can greatly reduce the number and complexity of options that need to be accessible to the user. However, monolithic tools usually are not adept at dynamically exposing specific workflows. Our approach is to deliver highly tailored interfaces to users. These interfaces may be site and/or process specific. As a result, we end up with many, customized interfaces rather than a single, general-use tool. For this approach to be successful, it must be efficient to create these tailored interfaces. We need technology for creating quality user interfaces that is accessible and has a low barrier for integration into model development efforts. Here, we present efforts to leverage IPython notebooks as tools for rapid prototyping of site and application-specific user interfaces. We provide specific examples from applications in near-shore environments as well as levee analysis. We discuss our design decisions and methodology for developing customized interfaces, strategies for delivery of the interfaces to users in various computing environments, as well as implications for the design/implementation of simulation models.

Towards Full Aircraft Airframe Noise Prediction: Lattice Boltzmann Simulations

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Fares, Ehab; Casalino, Damiano

2014-01-01

Computational results for an 18%-scale, semi-span Gulfstream aircraft model are presented. Exa Corporation's lattice Boltzmann PowerFLOW(trademark) solver was used to perform time-dependent simulations of the flow field associated with this high-fidelity aircraft model. The simulations were obtained for free-air at a Mach number of 0.2 with the flap deflected at 39 deg (landing configuration). We focused on accurately predicting the prominent noise sources at the flap tips and main landing gear for the two baseline configurations, namely, landing flap setting without and with gear deployed. Capitalizing on the inherently transient nature of the lattice Boltzmann formulation, the complex time-dependent flow features associated with the flap were resolved very accurately and efficiently. To properly simulate the noise sources over a broad frequency range, the tailored grid was very dense near the flap inboard and outboard tips. Extensive comparison of the computed time-averaged and unsteady surface pressures with wind tunnel measurements showed excellent agreement for the global aerodynamic characteristics and the local flow field at the flap inboard and outboard tips and the main landing gear. In particular, the computed fluctuating surface pressure field for the flap agreed well with the measurements in both amplitude and frequency content, indicating that the prominent airframe noise sources at the tips were captured successfully. Gear-flap interaction effects were remarkably well predicted and were shown to affect only the inboard flap tip, altering the steady and unsteady pressure fields in that region. The simulated farfield noise spectra for both baseline configurations, obtained using a Ffowcs-Williams and Hawkings acoustic analogy approach, were shown to be in close agreement with measured values.

A flexible hydrological warning system in Denmark for real-time surface water and groundwater simulations

NASA Astrophysics Data System (ADS)

He, Xin; Stisen, Simon; Wiese, Marianne B.; Jørgen Henriksen, Hans

2015-04-01

In Denmark, increasing focus on extreme weather events has created considerable demand for short term forecasts and early warnings in relation to groundwater and surface water flooding. The Geological Survey of Denmark and Greenland (GEUS) has setup, calibrated and applied a nationwide water resources model, the DK-Model, primarily for simulating groundwater and surface water flows and groundwater levels during the past 20 years. So far, the DK-model has only been used in offline historical and future scenario simulations. Therefore, challenges arise in operating such a model for online forecasts and early warnings, which requires access to continuously updated observed climate input data and forecast data of precipitation, temperature and global radiation for the next 48 hours or longer. GEUS has a close collaboration with the Danish Meteorological Institute in order to test and enable this data input for the DK model. Due to the comprehensive physical descriptions of the DK-Model, the simulation results can potentially be any component of the hydrological cycle within the models domain. Therefore, it is important to identify which results need to be updated and saved in the real-time mode, since it is not computationally economical to save every result considering the heavy load of data. GEUS have worked closely with the end-users and interest groups such as water planners and emergency managers from the municipalities, water supply and waste water companies, consulting companies and farmer organizations, in order to understand their possible needs for real time simulation and monitoring of the nationwide water cycle. This participatory process has been supported by a web based questionnaire survey, and a workshop that connected the model developers and the users. For qualifying the stakeholder engagement, GEUS has selected a representative catchment area (Skjern River) for testing and demonstrating a prototype of the web based hydrological warning system at the workshop, and illustrated simulated groundwater levels, streamflow and water content in the root zone. The webpages can be tailor-made to meet the requirements of the end-users and also enable flexibility to extend while the users' demand changes. The active involvement of stakeholders in the workshop provided very valuable insights and feedbacks for GEUS, relevant for the future development of the nationwide real-time modeling and water cycle monitoring system for Denmark, including possible linking to early warning and real-time forecasting systems operating at the local scale.

Design and development of a community carbon cycle benchmarking system for CMIP5 models

NASA Astrophysics Data System (ADS)

Mu, M.; Hoffman, F. M.; Lawrence, D. M.; Riley, W. J.; Keppel-Aleks, G.; Randerson, J. T.

2013-12-01

Benchmarking has been widely used to assess the ability of atmosphere, ocean, sea ice, and land surface models to capture the spatial and temporal variability of observations during the historical period. For the carbon cycle and terrestrial ecosystems, the design and development of an open-source community platform has been an important goal as part of the International Land Model Benchmarking (ILAMB) project. Here we designed and developed a software system that enables the user to specify the models, benchmarks, and scoring systems so that results can be tailored to specific model intercomparison projects. We used this system to evaluate the performance of CMIP5 Earth system models (ESMs). Our scoring system used information from four different aspects of climate, including the climatological mean spatial pattern of gridded surface variables, seasonal cycle dynamics, the amplitude of interannual variability, and long-term decadal trends. We used this system to evaluate burned area, global biomass stocks, net ecosystem exchange, gross primary production, and ecosystem respiration from CMIP5 historical simulations. Initial results indicated that the multi-model mean often performed better than many of the individual models for most of the observational constraints.

CORSICA modelling of ITER hybrid operation scenarios

NASA Astrophysics Data System (ADS)

Kim, S. H.; Bulmer, R. H.; Campbell, D. J.; Casper, T. A.; LoDestro, L. L.; Meyer, W. H.; Pearlstein, L. D.; Snipes, J. A.

2016-12-01

The hybrid operating mode observed in several tokamaks is characterized by further enhancement over the high plasma confinement (H-mode) associated with reduced magneto-hydro-dynamic (MHD) instabilities linked to a stationary flat safety factor (q ) profile in the core region. The proposed ITER hybrid operation is currently aiming at operating for a long burn duration (>1000 s) with a moderate fusion power multiplication factor, Q , of at least 5. This paper presents candidate ITER hybrid operation scenarios developed using a free-boundary transport modelling code, CORSICA, taking all relevant physics and engineering constraints into account. The ITER hybrid operation scenarios have been developed by tailoring the 15 MA baseline ITER inductive H-mode scenario. Accessible operation conditions for ITER hybrid operation and achievable range of plasma parameters have been investigated considering uncertainties on the plasma confinement and transport. ITER operation capability for avoiding the poloidal field coil current, field and force limits has been examined by applying different current ramp rates, flat-top plasma currents and densities, and pre-magnetization of the poloidal field coils. Various combinations of heating and current drive (H&CD) schemes have been applied to study several physics issues, such as the plasma current density profile tailoring, enhancement of the plasma energy confinement and fusion power generation. A parameterized edge pedestal model based on EPED1 added to the CORSICA code has been applied to hybrid operation scenarios. Finally, fully self-consistent free-boundary transport simulations have been performed to provide information on the poloidal field coil voltage demands and to study the controllability with the ITER controllers. Extended from Proc. 24th Int. Conf. on Fusion Energy (San Diego, 2012) IT/P1-13.

Xyce parallel electronic simulator : users' guide.

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

Mei, Ting; Rankin, Eric Lamont; Thornquist, Heidi K.

2011-05-01

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). Note that this includes support for most popular parallel and serial computers; (2) Improved performance for all numerical kernels (e.g., time integrator, nonlinear and linear solvers) through state-of-the-artmore » algorithms and novel techniques. (3) Device models which are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only); and (4) Object-oriented code design and implementation using modern coding practices that ensure that the Xyce Parallel Electronic Simulator will be maintainable and extensible far into the future. Xyce is a parallel code in the most general sense of the phrase - a message passing parallel implementation - which allows it to run efficiently on the widest possible number of computing platforms. These include serial, shared-memory and distributed-memory parallel as well as heterogeneous platforms. Careful attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. The development of Xyce provides a platform for computational research and development aimed specifically at the needs of the Laboratory. With Xyce, Sandia has an 'in-house' capability with which both new electrical (e.g., device model development) and algorithmic (e.g., faster time-integration methods, parallel solver algorithms) research and development can be performed. As a result, Xyce is a unique electrical simulation capability, designed to meet the unique needs of the laboratory.« less

Near-field plasmonic beam engineering with complex amplitude modulation based on metasurface

NASA Astrophysics Data System (ADS)

Song, Xu; Huang, Lingling; Sun, Lin; Zhang, Xiaomeng; Zhao, Ruizhe; Li, Xiaowei; Wang, Jia; Bai, Benfeng; Wang, Yongtian

2018-02-01

Metasurfaces have recently intrigued extensive interest due to their ability to locally manipulate electromagnetic waves, which provide great feasibility for tailoring both propagation waves and surface plasmon polaritons (SPPs). Manipulation of SPPs with arbitrary complex fields is an important issue in integrated nanophotonics due to their capability of guiding waves with subwavelength footprints. Here, an approach with metasurfaces composed of nanoaperture arrays is proposed and experimentally demonstrated which can effectively manipulate the complex amplitude of SPPs in the near-field regime. Tailoring the azimuthal angles of individual nanoapertures and simultaneously tuning their geometric parameters, the phase and amplitude are controlled based on the Pancharatnam-Berry phases and their individual transmission coefficients. For the verification of the concept, Airy plasmons and axisymmetric Airy-SPPs are generated. The results of numerical simulations and near-field imaging are consistent with each other. Besides the rigorous simulations, we applied a 2D dipole analysis for additional analysis. This strategy of complex amplitude manipulation with metasurfaces can be used for potential applications in plasmonic beam shaping, integrated optoelectronic systems, and surface wave holography.

Micromagnetic simulation of static magnetic properties and tuning of anisotropy strength in two dimensional square antidot elements

NASA Astrophysics Data System (ADS)

Dash, S.; Satish, S.; Parida, B.; Satapathy, S.; Ipsita, N. S.; Joshi, R. S.

2018-04-01

We demonstrate the tailoring of anisotropy in magnetic nano-wire element using finite element method based micromagnetic simulation. We calculate the magentostatic properties for the structure by simulating hysteresis for these nano wire elements. The angular variation of remanence for the structures of different dimensions is used as the depiction to establish fourfold magnetic anisotropy. The change of anisotropy strength, which is the ratio of squareness of hysteresis loop in hard axis to easy axis, is demonstrated in this study which is one of the most important parameters to utilize these nanowire elements in multi state magnetic memory application.

Temporal slow-growth formulation for direct numerical simulation of compressible wall-bounded flows

NASA Astrophysics Data System (ADS)

Topalian, Victor; Oliver, Todd A.; Ulerich, Rhys; Moser, Robert D.

2017-08-01

A slow-growth formulation for DNS of wall-bounded turbulent flow is developed and demonstrated to enable extension of slow-growth modeling concepts to wall-bounded flows with complex physics. As in previous slow-growth approaches, the formulation assumes scale separation between the fast scales of turbulence and the slow evolution of statistics such as the mean flow. This separation enables the development of approaches where the fast scales of turbulence are directly simulated while the forcing provided by the slow evolution is modeled. The resulting model admits periodic boundary conditions in the streamwise direction, which avoids the need for extremely long domains and complex inflow conditions that typically accompany spatially developing simulations. Further, it enables the use of efficient Fourier numerics. Unlike previous approaches [Guarini, Moser, Shariff, and Wray, J. Fluid Mech. 414, 1 (2000), 10.1017/S0022112000008466; Maeder, Adams, and Kleiser, J. Fluid Mech. 429, 187 (2001), 10.1017/S0022112000002718; Spalart, J. Fluid Mech. 187, 61 (1988), 10.1017/S0022112088000345], the present approach is based on a temporally evolving boundary layer and is specifically tailored to give results for calibration and validation of Reynolds-averaged Navier-Stokes (RANS) turbulence models. The use of a temporal homogenization simplifies the modeling, enabling straightforward extension to flows with complicating features, including cold and blowing walls. To generate data useful for calibration and validation of RANS models, special care is taken to ensure that the mean slow-growth forcing is closed in terms of the mean and other quantities that appear in standard RANS models, ensuring that there is no confounding between typical RANS closures and additional closures required for the slow-growth problem. The performance of the method is demonstrated on two problems: an essentially incompressible, zero-pressure-gradient boundary layer and a transonic boundary layer over a cooled, transpiring wall. The results show that the approach produces flows that are qualitatively similar to other slow-growth methods as well as spatially developing simulations and that the method can be a useful tool in investigating wall-bounded flows with complex physics.

Selectively transporting small chiral particles with circularly polarized Airy beams.

PubMed

Lu, Wanli; Chen, Huajin; Guo, Sandong; Liu, Shiyang; Lin, Zhifang

2018-05-01

Based on the full wave simulation, we demonstrate that a circularly polarized vector Airy beam can selectively transport small chiral particles along a curved trajectory via the chirality-tailored optical forces. The transverse optical forces can draw the chiral particles with different particle chirality towards or away from the intensity maxima of the beam, leading to the selective trapping in the transverse plane. The transversely trapped chiral particles are then accelerated along a curved trajectory of the Airy beam by the chirality-tailored longitudinal scattering force, rendering an alternative way to sort and/or transport chiral particles with specified helicity. Finally, the underlying physics of the chirality induced transverse trap and de-trap phenomena are examined by the analytical theory within the dipole approximation.

Regulating Ion Transport in Peptide Nanotubes by Tailoring the Nanotube Lumen Chemistry.

PubMed

Ruiz, Luis; Benjamin, Ari; Sullivan, Matthew; Keten, Sinan

2015-05-07

We use atomistic nonequilibrium molecular dynamics simulations to demonstrate how specific ionic flux in peptide nanotubes can be regulated by tailoring the lumen chemistry through single amino acid substitutions. By varying the size and polarity of the functional group inserted into the nanotube interior, we are able to adjust the Na(+) flux by over an order of magnitude. Cl(-) is consistently denied passage. Bulky, nonpolar groups encourage interactions between the Na(+) and the peptide backbone carbonyl groups, disrupting the Na(+) solvation shell and slowing the transport of Na(+). Small groups have the opposite effect and accelerate flow. These results suggest that relative ion flux and selectivity can be precisely regulated in subnanometer pores by molecularly defining the lumen according to biological principles.

Dynamics of electron injection and acceleration driven by laser wakefield in tailored density profiles

DOE PAGES

Lee, Patrick; Maynard, G.; Audet, T. L.; ...

2016-11-16

The dynamics of electron acceleration driven by laser wakefield is studied in detail using the particle-in-cell code WARP with the objective to generate high-quality electron bunches with narrow energy spread and small emittance, relevant for the electron injector of a multistage accelerator. Simulation results, using experimentally achievable parameters, show that electron bunches with an energy spread of ~11% can be obtained by using an ionization-induced injection mechanism in a mm-scale length plasma. By controlling the focusing of a moderate laser power and tailoring the longitudinal plasma density profile, the electron injection beginning and end positions can be adjusted, while themore » electron energy can be finely tuned in the last acceleration section.« less

Models to Tailor Brain Stimulation Therapies in Stroke

PubMed Central

Plow, E. B.; Sankarasubramanian, V.; Cunningham, D. A.; Potter-Baker, K.; Varnerin, N.; Cohen, L. G.; Sterr, A.; Conforto, A. B.; Machado, A. G.

2016-01-01

A great challenge facing stroke rehabilitation is the lack of information on how to derive targeted therapies. As such, techniques once considered promising, such as brain stimulation, have demonstrated mixed efficacy across heterogeneous samples in clinical studies. Here, we explain reasons, citing its one-type-suits-all approach as the primary cause of variable efficacy. We present evidence supporting the role of alternate substrates, which can be targeted instead in patients with greater damage and deficit. Building on this groundwork, this review will also discuss different frameworks on how to tailor brain stimulation therapies. To the best of our knowledge, our report is the first instance that enumerates and compares across theoretical models from upper limb recovery and conditions like aphasia and depression. Here, we explain how different models capture heterogeneity across patients and how they can be used to predict which patients would best respond to what treatments to develop targeted, individualized brain stimulation therapies. Our intent is to weigh pros and cons of testing each type of model so brain stimulation is successfully tailored to maximize upper limb recovery in stroke. PMID:27006833

A brief culturally tailored intervention for Puerto Ricans with type 2 diabetes.

PubMed

Osborn, Chandra Y; Amico, K R; Cruz, Noemi; O'Connell, Ann A; Perez-Escamilla, Rafael; Kalichman, Seth C; Wolf, Scott A; Fisher, Jeffrey D

2010-12-01

The information-motivation-behavioral skills (IMB) model of health behavior change informed the design of a brief, culturally tailored diabetes self-care intervention for Puerto Ricans with type 2 diabetes. Participants (n = 118) were recruited from an outpatient, primary care clinic at an urban hospital in the northeast United States. ANCOVA models evaluated intervention effects on food label reading, diet adherence, physical activity, and glycemic control (HbA1c). At follow-up, the intervention group was reading food labels and adhering to diet recommendations significantly more than the control group. Although the mean HbA1c values decreased in both groups ( 0.48% vs. 0.27% absolute decrease), only the intervention group showed a significant improvement from baseline to follow-up (p < .008), corroborating improvements in diabetes self-care behaviors. Findings support the use of the IMB model to culturally tailor diabetes interventions and to enhance patients' knowledge, motivation, and behavior skills needed for self-care.

Remote health coaching for interactive exercise with older adults in a home environment.

PubMed

Jimison, Holly B; Hagler, Stuart; Kurillo, Gregorij; Bajcsy, Ruzena; Pavel, Misha

2015-01-01

Optimal health coaching interventions are tailored to individuals' needs, preferences, motivations, barriers, timing, and readiness to change. Technology approaches are useful in both monitoring a user's adherence to their behavior change goals and also in providing just-in-time feedback and coaching messages. User models that incorporate dynamically varying behavior change variables with algorithms that trigger tailored messages provide a framework for making health interventions more effective. These principles are applied in the described system for assisting older adults in meeting their physical exercise goals with a tailored interactive video system with just-in-time feedback and encouragement.

Evaluation of the Acceptability and Feasibility of a Computer-Tailored Intervention to Increase Human Papillomavirus Vaccination among Young Adult Women

ERIC Educational Resources Information Center

Paiva, Andrea L.; Lipschitz, Jessica M.; Fernandez, Anne C.; Redding, Colleen A.; Prochaska, James O.

2014-01-01

Objective: To examine acceptability and feasibility of a Transtheoretical Model (TTM)-based computer-tailored intervention (CTI) for increasing human papillomavirus (HPV) vaccination in college-aged women. Participants: Two hundred forty-three women aged 18-26 were recruited between February and May of 2011. Methods: Participants completed the…

Runway Exit Designs for Capacity Improvement Demonstrations. Phase 1: Algorithm Development

NASA Technical Reports Server (NTRS)

Trani, A. A.; Hobeika, A. G.; Sherali, H.; Kim, B. J.; Sadam, C. K.

1990-01-01

A description and results are presented of a study to locate and design rapid runway exits under realistic airport conditions. The study developed a PC-based computer simulation-optimization program called REDIM (runway exit design interactive model) to help future airport designers and planners to locate optimal exits under various airport conditions. The model addresses three sets of problems typically arising during runway exit design evaluations. These are the evaluations of existing runway configurations, addition of new rapid runway turnoffs, and the design of new runway facilities. The model is highly interactive and allows a quick estimation of the expected value of runway occupancy time. Aircraft populations and airport environmental conditions are among the multiple inputs to the model to execute a viable runway location and geometric design solution. The results presented suggest that possible reductions on runway occupancy time (ROT) can be achieved with the use of optimally tailored rapid runway designs for a given aircraft population. Reductions of up to 9 to 6 seconds are possible with the implementation of 30 m/sec variable geometry exits.

New optimization model for routing and spectrum assignment with nodes insecurity

NASA Astrophysics Data System (ADS)

Xuan, Hejun; Wang, Yuping; Xu, Zhanqi; Hao, Shanshan; Wang, Xiaoli

2017-04-01

By adopting the orthogonal frequency division multiplexing technology, elastic optical networks can provide the flexible and variable bandwidth allocation to each connection request and get higher spectrum utilization. The routing and spectrum assignment problem in elastic optical network is a well-known NP-hard problem. In addition, information security has received worldwide attention. We combine these two problems to investigate the routing and spectrum assignment problem with the guaranteed security in elastic optical network, and establish a new optimization model to minimize the maximum index of the used frequency slots, which is used to determine an optimal routing and spectrum assignment schemes. To solve the model effectively, a hybrid genetic algorithm framework integrating a heuristic algorithm into a genetic algorithm is proposed. The heuristic algorithm is first used to sort the connection requests and then the genetic algorithm is designed to look for an optimal routing and spectrum assignment scheme. In the genetic algorithm, tailor-made crossover, mutation and local search operators are designed. Moreover, simulation experiments are conducted with three heuristic strategies, and the experimental results indicate that the effectiveness of the proposed model and algorithm framework.

Implementation of the force decomposition machine for molecular dynamics simulations.

PubMed

Borštnik, Urban; Miller, Benjamin T; Brooks, Bernard R; Janežič, Dušanka

2012-09-01

We present the design and implementation of the force decomposition machine (FDM), a cluster of personal computers (PCs) that is tailored to running molecular dynamics (MD) simulations using the distributed diagonal force decomposition (DDFD) parallelization method. The cluster interconnect architecture is optimized for the communication pattern of the DDFD method. Our implementation of the FDM relies on standard commodity components even for networking. Although the cluster is meant for DDFD MD simulations, it remains general enough for other parallel computations. An analysis of several MD simulation runs on both the FDM and a standard PC cluster demonstrates that the FDM's interconnect architecture provides a greater performance compared to a more general cluster interconnect. Copyright © 2012 Elsevier Inc. All rights reserved.

New Techniques Used in Modeling the 2017 Total Solar Eclipse: Energizing and Heating the Large-Scale Corona

NASA Astrophysics Data System (ADS)

Downs, Cooper; Mikic, Zoran; Linker, Jon A.; Caplan, Ronald M.; Lionello, Roberto; Torok, Tibor; Titov, Viacheslav; Riley, Pete; Mackay, Duncan; Upton, Lisa

2017-08-01

Over the past two decades, our group has used a magnetohydrodynamic (MHD) model of the corona to predict the appearance of total solar eclipses. In this presentation we detail recent innovations and new techniques applied to our prediction model for the August 21, 2017 total solar eclipse. First, we have developed a method for capturing the large-scale energized fields typical of the corona, namely the sheared/twisted fields built up through long-term processes of differential rotation and flux-emergence/cancellation. Using inferences of the location and chirality of filament channels (deduced from a magnetofrictional model driven by the evolving photospheric field produced by the Advective Flux Transport model), we tailor a customized boundary electric field profile that will emerge shear along the desired portions of polarity inversion lines (PILs) and cancel flux to create long twisted flux systems low in the corona. This method has the potential to improve the morphological shape of streamers in the low solar corona. Second, we apply, for the first time in our eclipse prediction simulations, a new wave-turbulence-dissipation (WTD) based model for coronal heating. This model has substantially fewer free parameters than previous empirical heating models, but is inherently sensitive to the 3D geometry and connectivity of the coronal field---a key property for modeling/predicting the thermal-magnetic structure of the solar corona. Overall, we will examine the effect of these considerations on white-light and EUV observables from the simulations, and present them in the context of our final 2017 eclipse prediction model.Research supported by NASA's Heliophysics Supporting Research and Living With a Star Programs.

Improving the fiber coupling efficiency for DARWIN by loss-less shaping of the receive beams

NASA Astrophysics Data System (ADS)

Voland, Ch.; Weigel, Th.; Dreischer, Th.; Wallner, O.; Ergenzinger, K.; Ries, H.; Jetter, R.; Vosteen, A.

2017-11-01

For the DARWIN mission the extremely low planet signal levels require an optical instrument design with utmost efficiency to guarantee the required science performance. By shaping the transverse amplitude and phase distributions of the receive beams, the singlemode fibre coupling efficiency can be increased to almost 100%, thus allowing for a gain of more than 20% compared to conventional designs. We show that the use of "tailored freeform surfaces" for purpose of beam shaping dramatically reduces the coupling degradations, which otherwise result from mode mismatch between the Airy pattern of the image and the fibre mode, and therefore allows for achieving a performance close to the physical limitations. We present an application of tailored surfaces for building a beam shaping optics that shall enhance fibre coupling performance as core part of a space based interferometer in the future DARWIN mission and present performance predictions by wave-optical simulations. We assess the feasibility of manufacturing the corresponding tailored surfaces and describe the proof of concept demonstrator we use for experimental performance verification.

On The Aerodynamic Heating Of Vega Launcher: Compressible Chimera Navier-Stokes Simulation With Complex Surfaces

NASA Astrophysics Data System (ADS)

Di Mascio, A.; Zaghi, S.; Muscari, R.; Broglia, R.; Cavallini, E.; Favini, B.; Scaccia, A.

2011-05-01

The results of accurate compressible Navier-Stokes simulations of aerodynamic heating of the Vega launcher are presented. Three selected steady conditions of the Vega mission profile are considered: the first corresponding to the altitude of 18 km, the second to 25 km and the last to 33 km. The numerical code is based on the Favre- Average Navier-Stokes equations; the turbulent model chosen for closure is the one-equation model by Spalart- Allmaras. The equations are discretized by a finite volume approach, that can handle block-structured meshes with partial overlap (“Chimera” grid-overlapping technique). The isothermal boundary condition has been applied to the lancher wall. Particular care was devoted to the construction of the discrete model; indeed, the launcher is equipped with many protrusions and geometrical peculiarities (as antennas, raceways, inter-stage connection flanges and retrorockets) that are expected to affect considerably the local thermal flow-field and the level of heat fluxes, because the flow have to undergo strong variation in space; con- sequently, special attention was devoted to the definition of a tailored mesh, capable of catching local details of the aerothermal flow field (shocks, expansion fans, boundary layer, etc..). The computed results are reported together with uncertainty and actual convergence order, that were estimated by the standard procedures suggested by AIAA [Ame98].

Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations.

PubMed

Konstantinou, Konstantinos; Sushko, Peter V; Duffy, Dorothy M

2016-09-21

The nature of chemical bonding of molybdenum in high level nuclear waste glasses has been elucidated by ab initio molecular dynamics simulations. Two compositions, (SiO 2 ) 57.5 -(B 2 O 3 ) 10 -(Na 2 O) 15 -(CaO) 15 -(MoO 3 ) 2.5 and (SiO 2 ) 57.3 -(B 2 O 3 ) 20 -(Na 2 O) 6.8 -(Li 2 O) 13.4 -(MoO 3 ) 2.5 , were considered in order to investigate the effect of ionic and covalent components on the glass structure and the formation of the crystallisation precursors (Na 2 MoO 4 and CaMoO 4 ). The coordination environments of Mo cations and the corresponding bond lengths calculated from our model are in excellent agreement with experimental observations. The analysis of the first coordination shell reveals two different types of molybdenum host matrix bonds in the lithium sodium borosilicate glass. Based on the structural data and the bond valence model, we demonstrate that the Mo cation can be found in a redox state and the molybdate tetrahedron can be connected with the borosilicate network in a way that inhibits the formation of crystalline molybdates. These results significantly extend our understanding of bonding in Mo-containing nuclear waste glasses and demonstrate that tailoring the glass composition to specific heavy metal constituents can facilitate incorporation of heavy metals at high concentrations.

Magnetic field extraction of trap-based electron beams using a high-permeability grid

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

Hurst, N. C.; Danielson, J. R.; Surko, C. M., E-mail: csurko@physics.ucsd.edu

2015-07-15

A method to form high quality electrostatically guided lepton beams is explored. Test electron beams are extracted from tailored plasmas confined in a Penning-Malmberg trap. The particles are then extracted from the confining axial magnetic field by passing them through a high magnetic permeability grid with radial tines (a so-called “magnetic spider”). An Einzel lens is used to focus and analyze the beam properties. Numerical simulations are used to model non-adiabatic effects due to the spider, and the predictions are compared with the experimental results. Improvements in beam quality are discussed relative to the use of a hole in amore » high permeability shield (i.e., in lieu of the spider), and areas for further improvement are described.« less

Selective sensing of vapors of similar dielectric constants using peptide-capped gold nanoparticles on individual multivariable transducers.

PubMed

Nagraj, Nandini; Slocik, Joseph M; Phillips, David M; Kelley-Loughnane, Nancy; Naik, Rajesh R; Potyrailo, Radislav A

2013-08-07

Peptide-capped AYSSGAPPMPPF gold nanoparticles were demonstrated for highly selective chemical vapor sensing using individual multivariable inductor-capacitor-resistor (LCR) resonators. Their multivariable response was achieved by measuring their resonance impedance spectra followed by multivariate spectral analysis. Detection of model toxic vapors and chemical agent simulants, such as acetonitrile, dichloromethane and methyl salicylate, was performed. Dichloromethane (dielectric constant εr = 9.1) and methyl salicylate (εr = 9.0) were discriminated using a single sensor. These sensing materials coupled to multivariable transducers can provide numerous opportunities for tailoring the vapor response selectivity based on the diversity of the amino acid composition of the peptides, and by the modulation of the nature of peptide-nanoparticle interactions through designed combinations of hydrophobic and hydrophilic amino acids.

Angular distribution of hybridization in sputtered carbon thin film

NASA Astrophysics Data System (ADS)

Liu, Y.; Wang, H.; Wei, Z. C.

2017-08-01

The sp3/sp2 ratio of sputtered carbon thin film depends on the ion bombardment process and tailors the physical properties of carbon thin film. In present work, we report the angular distribution of hybridization in magnetron sputtered carbon thin film for the first time. By x-ray photoelectron spectra analyses, it is found that the sp3/sp2 ratio increases linearly with increasing the deposition angle from 0 to 90 degree, which could be attributed to the enhancement of direct knocking-out of near-surface target atoms. In addition, we also derive the sp3/sp2 ratio by simulation on complex permittivity in terahertz frequency using a modified percolation approximation tunneling model. Those derived data consist with the results from x-ray photoelectron spectroscopy.

Modelling Simulation and Comparison of Refractory Corrosion at RHI's Technology Center

NASA Astrophysics Data System (ADS)

Gregurek, Dean; Ressler, Angelika; Franzkowiak, Anna; Spanring, Alfred

In order to determine the most suitable refractory products and improve the lining lifetime for the diverse furnaces used in the nonferrous metal industry, corrosion tests are performed at RHF's Technology Center. The practical facilities include the cup test, induction furnace, rotary kiln, and drip slag test described in this paper, which enable a comprehensive understanding of the chemo-thermal brick wear on a pilot scale. The corrosion trials are performed with actual slags generated during operations at a customer's plant. To determine the highest influencing wear parameter, every single test is combined with a detailed mineralogical investigation and thermochemical calculations performed using FactSage. Based on the results, tailored refractory solutions for the nonferrous metal industry can be provided in combination with trials conducted at the customer's site.

Vertical electrostatic actuator with extended digital range via tailored topology

NASA Astrophysics Data System (ADS)

Zhang, Yanhang; Dunn, Martin L.

2002-07-01

We describe the design, fabrication, and testing of an electrostatic vertical actuator that exhibits a range of motion that covers the entire initial gap between the actuator and substrate and provides controllable digital output motion. This is obtained by spatially tailoring the electrode arrangement and the stiffness characteristics of the microstructure to control the voltage-deflection characteristics. The concept is based on the electrostatic pull down of bimaterial beams, via a series of electrodes attached to the beams by flexures with tailored stiffness characteristics. The range of travel of the actuator is defined by the post-release deformed shape of the bilayer beams, and can be controlled by a post-release heat-treat process combined with a tailored actuator topology (material distribution and geometry, including spatial geometrical patterning of the individual layers of the bilayer beams). Not only does this allow an increase in the range of travel to cover the entire initial gap, but it also permits digital control of the tip of the actuator which can be designed to yield linear displacement - pull in step characteristics. We fabricated these actuators using the MUMPs surface micromachining process, and packaged them in-house. We measured, using an interferometric microscope, full field deformed shapes of the actuator at each pull in step. The measurements compare well with companion simulation results, both qualitatively and quantitatively.

Cost-effectiveness of targeted versus tailored interventions to promote mammography screening among women military veterans in the United States.

PubMed

Lairson, David R; Chan, Wen; Chang, Yu-Chia; del Junco, Deborah J; Vernon, Sally W

2011-05-01

We conducted an economic evaluation of mammography promotion interventions in a population-based, nationally representative sample of 5500 women veterans. Women 52 years and older were randomly selected from the National Registry of Women Veterans and randomly assigned to a survey-only control group and two intervention groups that varied in the extent of personalization (tailored vs. targeted). Effectiveness measures were the prevalence of at least one self-reported post-intervention mammogram and two post-intervention mammograms 6-15 months apart. Incremental cost-effectiveness ratios (ICERs) were the incremental cost per additional person screened. Uncertainty was examined with sensitivity analysis and bootstrap simulation. The targeted intervention cost $25 per person compared to $52 per person for the tailored intervention. About 27% of the cost was incurred in identifying and recruiting the eligible population. The percent of women reporting at least one mammogram were .447 in the control group, .469 in the targeted group, and .460 in the tailored group. The ICER was $1116 comparing the targeted group to the control group (95% confidence interval (CI)=$493 to dominated). The tailored intervention was dominated (more costly and less effective) by the targeted intervention. Decision-makers should consider effectiveness evidence and the full recruitment and patient time costs associated with the implementation of screening interventions when making investments in mammography screening promotion programs. Identification and recruitment of eligible participants add substantial costs to outreach screening promotion interventions. Tailoring adds substantial cost to the targeted mammography promotion strategy without a commensurate increase in effectiveness. Although cost-effectiveness has been reported to be higher for some in-reach screening promotion interventions, a recent meta-analysis revealed significant heterogeneity in the effect sizes of published health-plan based intervention studies for repeat mammography (i.e., some studies reported null effects compared with control groups). Copyright © 2010 Elsevier Ltd. All rights reserved.

A multicomponent coupled model of glacier hydrology 1. Theory and synthetic examples

NASA Astrophysics Data System (ADS)

Flowers, Gwenn E.; Clarke, Garry K. C.

2002-11-01

Basal hydrology is acknowledged as a fundamental control on glacier dynamics, especially in cases where surface meltwater reaches the bed. For many glaciers at midlatitudes, basal drainage is influenced by subaerial, englacial, and subsurface water flow. One of the major shortcomings of existing basal hydrology models is the treatment of the glacier bed as an isolated system. We present theoretical and computational models that couple glacier surface runoff, englacial water storage and transport, subglacial drainage, and subsurface groundwater flow. Each of the four model components is represented as a two-dimensional, vertically integrated layer that communicates with its neighbors through water exchange. Governing equations are derived from the law of mass conservation and are expressed as a balance between the internal distribution of water and external sources. The numerical exposition of this theory is a time-dependent finite difference model that can be used to simulate glacier drainage. In this paper we outline the theory and conduct simple tests using an idealized glacier geometry. In the companion paper, the model is tailored to Trapridge Glacier, Yukon Territory, Canada, where results are compared with measurements of subglacial water pressure.

Intervention Tailoring for Chinese American Women: Comparing the Effects of Two Videos on Knowledge, Attitudes and Intentions to Obtain a Mammogram

ERIC Educational Resources Information Center

Wang, Judy Huei-yu; Schwartz, Marc D.; Luta, George; Maxwell, Annette E.; Mandelblatt, Jeanne S.

2012-01-01

This study utilized data from an ongoing randomized controlled trial to compare a culturally tailored video promoting positive attitudes toward mammography among Chinese immigrant women to a linguistically appropriate generic video and print media. Intervention development was guided by the Health Belief Model. Five hundred and ninety-two…

Development and Evaluation of a Culturally Tailored Educational Video: Changing Breast Cancer-Related Behaviors in Chinese Women

ERIC Educational Resources Information Center

Wang, Judy H.; Liang, Wenchi; Schwartz, Marc D.; Lee, Marion M.; Kreling, Barbara; Mandelblatt, Jeanne S.

2008-01-01

This study developed and evaluated a culturally tailored video guided by the health belief model to improve Chinese women's low rate of mammography use. Focus-group discussions and an advisory board meeting guided the video development. A 17-min video, including a soap opera and physician-recommendation segment, was made in Chinese languages. A…

Randomized Trial Outcomes of a TTM-Tailored Condom Use and Smoking Intervention in Urban Adolescent Females

ERIC Educational Resources Information Center

Redding, Colleen A.; Prochaska, James O.; Armstrong, Kay; Rossi, Joseph S.; Hoeppner, Bettina B.; Sun, Xiaowu; Kobayashi, Hisanori; Yin, Hui-Qing; Coviello, Donna; Evers, Kerry; Velicer, Wayne F.

2015-01-01

Smoking and sexual risk behaviors in urban adolescent females are prevalent and problematic. Family planning clinics reach those who are at most risk. This randomized effectiveness trial evaluated a transtheoretical model (TTM)-tailored intervention to increase condom use and decrease smoking. At baseline, a total of 828 14- to 17-year-old females…

SCE&G Cope Station simulator training program development

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

Stottlemire, J.L.; Fabry, R.

1996-11-01

South Carolina Electric and Gas Company made a significant investment into meeting the needs of their customers in designing and building the new fossil Generating Station near Cope, South Carolina. Cope Station is a state-of-the-art, 385 MW plant, with equipment and design features that will provide the plant with the capabilities of achieving optimum availability and capability. SCE&G has also implemented a team concept approach to plant organization at Cope Station. The modern plant design, operating philosophy, and introduction of a large percentage of new operations personnel presented a tremendous challenge in preparing for plant commissioning and commercial operation. SCE&G`smore » answer to this challenge was to hire an experienced operations trainer, and implement a comprehensive training program. An important part of the training investment was the procurement of a plant specific control room simulator. SCE&G, through tailored collaboration with the Electric Power Research Institute (EPRI), developed a specification for a simulator with the features necessary for training the initial plant staff as well as advanced operator training. The high-fidelity CRT based training simulator is a stimulated system that completely and accurately simulates the various plant systems, process startups, shutdowns, normal operating scenarios, and malfunctions. The process model stimulates a Foxboro Distributed Control System consisting of twelve control processors, five WP51 work stations, and one AW51 file server. The workstations, file server and support hardware and software necessary to interface with ESSCOR`s FSIM4 software was provided by Foxoboro.« less

Development of the Next Generation of Biogeochemistry Simulations Using EMSL's NWChem Molecular Modeling Software

NASA Astrophysics Data System (ADS)

Bylaska, E. J.; Kowalski, K.; Apra, E.; Govind, N.; Valiev, M.

2017-12-01

Methods of directly simulating the behavior of complex strongly interacting atomic systems (molecular dynamics, Monte Carlo) have provided important insight into the behavior of nanoparticles, biogeochemical systems, mineral/fluid systems, nanoparticles, actinide systems and geofluids. The limitation of these methods to even wider applications is the difficulty of developing accurate potential interactions in these systems at the molecular level that capture their complex chemistry. The well-developed tools of quantum chemistry and physics have been shown to approach the accuracy required. However, despite the continuous effort being put into improving their accuracy and efficiency, these tools will be of little value to condensed matter problems without continued improvements in techniques to traverse and sample the high-dimensional phase space needed to span the ˜10^12 time scale differences between molecular simulation and chemical events. In recent years, we have made considerable progress in developing electronic structure and AIMD methods tailored to treat biochemical and geochemical problems, including very efficient implementations of many-body methods, fast exact exchange methods, electron-transfer methods, excited state methods, QM/MM, and new parallel algorithms that scale to +100,000 cores. The poster will focus on the fundamentals of these methods and the realities in terms of system size, computational requirements and simulation times that are required for their application to complex biogeochemical systems.

Model-based design of a pilot-scale simulated moving bed for purification of citric acid from fermentation broth.

PubMed

Wu, Jinglan; Peng, Qijun; Arlt, Wolfgang; Minceva, Mirjana

2009-12-11

One of the conventional processes used for the recovery of citric acid from its fermentation broth is environmentally harmful and cost intensive. In this work an innovative benign process, which comprises simulated moving bed (SMB) technology and use of a tailor-made tertiary poly(4-vinylpyridine) (PVP) resin as a stationary phase is proposed. This paper focuses on a model-based design of the operation conditions for an existing pilot-scale SMB plant. The SMB unit is modeled on the basis of experimentally determined hydrodynamics, thermodynamics and mass transfer characteristics in a single chromatographic column. Three mathematical models are applied and validated for the prediction of the experimentally attained breakthrough and elution profiles of citric acid and the main impurity component (glucose). The transport dispersive model was selected for the SMB simulation and design studies, since it gives a satisfactory prediction of the elution profiles within acceptable computational time. The equivalent true moving bed (TMB) and SMB models give a good prediction of the experimentally attained SMB separation performances, obtained with a real clarified and concentrated fermentation broth as a feed mixture. The SMB separation requirements are set to at least 99.8% citric acid purity and 90% citric acid recovery in the extract stream. The complete regeneration in sections 1 and 4 is unnecessary. Therefore the net flow rates in all four SMB sections have been considered in the unit design. The influences of the operating conditions (the flow rate in each section, switching time and unit configuration) on the SMB performances were investigated systematically. The resulting SMB design provides 99.8% citric acid purity and 97.2% citric acid recovery in the extract. In addition the citric acid concentration in the extract is a half of its concentration in the pretreated fermentation broth (feed).

MPS Editor

NASA Technical Reports Server (NTRS)

Mathews, William S.; Liu, Ning; Francis, Laurie K.; OReilly, Taifun L.; Schrock, Mitchell; Page, Dennis N.; Morris, John R.; Joswig, Joseph C.; Crockett, Thomas M.; Shams, Khawaja S.

2011-01-01

Previously, it was time-consuming to hand-edit data and then set up simulation runs to find the effect and impact of the input data on a spacecraft. MPS Editor provides the user the capability to create/edit/update models and sequences, and immediately try them out using what appears to the user as one piece of software. MPS Editor provides an integrated sequencing environment for users. It provides them with software that can be utilized during development as well as actual operations. In addition, it provides them with a single, consistent, user friendly interface. MPS Editor uses the Eclipse Rich Client Platform to provide an environment that can be tailored to specific missions. It provides the capability to create and edit, and includes an Activity Dictionary to build the simulation spacecraft models, build and edit sequences of commands, and model the effects of those commands on the spacecraft. MPS Editor is written in Java using the Eclipse Rich Client Platform. It is currently built with four perspectives: the Activity Dictionary Perspective, the Project Adaptation Perspective, the Sequence Building Perspective, and the Sequence Modeling Perspective. Each perspective performs a given task. If a mission doesn't require that task, the unneeded perspective is not added to that project's delivery. In the Activity Dictionary Perspective, the user builds the project-specific activities, observations, calibrations, etc. Typically, this is used during the development phases of the mission, although it can be used later to make changes and updates to the Project Activity Dictionary. In the Adaptation Perspective, the user creates the spacecraft models such as power, data store, etc. Again, this is typically used during development, but will be used to update or add models of the spacecraft. The Sequence Building Perspective allows the user to create a sequence of activities or commands that go to the spacecraft. It provides a simulation of the activities and commands that have been created.

Ultrahigh polarimetric image contrast enhancement for skin cancer diagnosis using InN plasmonic nanoparticles in the terahertz range

NASA Astrophysics Data System (ADS)

Ney, Michael; Abdulhalim, Ibrahim

2015-12-01

Mueller matrix imaging sensitivity, to delicate water content changes in tissue associated with early stages of skin cancer, is demonstrated by numerical modeling to be enhanced by localized surface plasmon resonance (LSPR) effects at the terahertz (THz) range when InN nanoparticles (NPs) coated with Parylene-C are introduced into the skin. A skin tissue model tailored for THz wavelengths is established for a Monte Carlo simulation of polarized light propagation and scattering, and a comparative study based on simulated Mueller matrices is presented considering different NPs' parameters and insertion into the skin methods. The insertion of NPs presenting LSPR in the THz is demonstrated to enable the application of polarization-based sample characterization techniques adopted from the scattering dominated visible wavelengths domain for the, otherwise, relatively low scattering THz domain, where such approach is irrelevant without the NPs. Through these Mueller polarimetry techniques, the detection of water content variations in the tissue is made possible and with high sensitivity. This study yields a limit of detection down to 0.0018% for relative changes in the water content based on linear degree of polarization-an improvement of an order of magnitude relative to the limit of detection without NPs calculated in a previous ellipsometric study.

Ultrahigh polarimetric image contrast enhancement for skin cancer diagnosis using InN plasmonic nanoparticles in the terahertz range.

PubMed

Ney, Michael; Abdulhalim, Ibrahim

2015-01-01

Mueller matrix imaging sensitivity, to delicate water content changes in tissue associated with early stages of skin cancer, is demonstrated by numerical modeling to be enhanced by localized surface plasmon resonance (LSPR) effects at the terahertz (THz) range when InN nanoparticles (NPs) coated with Parylene-C are introduced into the skin. A skin tissue model tailored for THz wavelengths is established for a Monte Carlo simulation of polarized light propagation and scattering, and a comparative study based on simulated Mueller matrices is presented considering different NPs’ parameters and insertion into the skin methods. The insertion of NPs presenting LSPR in the THz is demonstrated to enable the application of polarization-based sample characterization techniques adopted from the scattering dominated visible wavelengths domain for the, otherwise, relatively low scattering THz domain, where such approach is irrelevant without the NPs. Through these Mueller polarimetry techniques, the detection of water content variations in the tissue is made possible and with high sensitivity. This study yields a limit of detection down to 0.0018% for relative changes in the water content based on linear degree of polarization--an improvement of an order of magnitude relative to the limit of detection without NPs calculated in a previous ellipsometric study.

Power coupling mode transitions induced by tailored voltage waveforms in capacitive oxygen discharges

NASA Astrophysics Data System (ADS)

Derzsi, Aranka; Bruneau, Bastien; Gibson, Andrew Robert; Johnson, Erik; O'Connell, Deborah; Gans, Timo; Booth, Jean-Paul; Donkó, Zoltán

2017-03-01

Low-pressure capacitively coupled radio frequency discharges operated in O2 and driven by tailored voltage waveforms are investigated experimentally and by means of kinetic simulations. Pulse-type (peaks/valleys) and sawtooth-type voltage waveforms that consist of up to four consecutive harmonics of the fundamental frequency are used to study the amplitude asymmetry effect as well as the slope asymmetry effect at different fundamental frequencies (5, 10, and 15 MHz) and at different pressures (50-700 mTorr). Values of the DC self-bias determined experimentally and spatio-temporal excitation rates derived from phase resolved optical emission spectroscopy measurements are compared with particle-in-cell/Monte Carlo collisions simulations. The spatio-temporal distributions of the excitation rate obtained from experiments are well reproduced by the simulations. Transitions of the discharge electron heating mode from the drift-ambipolar mode to the α-mode are induced by changing the number of consecutive harmonics included in the driving voltage waveform or by changing the gas pressure. Changing the number of harmonics in the waveform has a strong effect on the electronegativity of the discharge, on the generation of the DC self-bias and on the control of ion properties at the electrodes, both for pulse-type, as well as sawtooth-type driving voltage waveforms The effect of the surface quenching rate of oxygen singlet delta metastable molecules on the spatio-temporal excitation patterns is also investigated.

Modeling the self-assembly of functionalized fullerenes on solid surfaces using Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Bubnis, Gregory J.

Since their discovery 25 years ago, carbon fullerenes have been widely studied for their unique physicochemical properties and for applications including organic electronics and photovoltaics. For these applications it is highly desirable for crystalline fullerene thin films to spontaneously self-assemble on surfaces. Accordingly, many studies have functionalized fullerenes with the aim of tailoring their intermolecular interactions and controlling interactions with the solid substrate. The success of these rational design approaches hinges on the subtle interplay of intermolecular forces and molecule-substrate interactions. Molecular modeling is well-suited to studying these interactions by directly simulating self-assembly. In this work, we consider three different fullerene functionalization approaches and for each approach we carry out Monte Carlo simulations of the self-assembly process. In all cases, we use a "coarse-grained" molecular representation that preserves the dominant physical interactions between molecules and maximizes computational efficiency. The first approach we consider is the traditional gold-thiolate SAM (self-assembled monolayer) strategy which tethers molecules to a gold substrate via covalent sulfur-gold bonds. For this we study an asymmetric fullerene thiolate bridged by a phenyl group. Clusters of 40 molecules are simulated on the Au(111) substrate at different temperatures and surface coverage densities. Fullerenes and S atoms are found to compete for Au(111) surface sites, and this competition prevents self-assembly of highly ordered monolayers. Next, we investigate self-assembled monolayers formed by fullerenes with hydrogen-bonding carboxylic acid substituents. We consider five molecules with different dimensions and symmetries. Monte Carlo cooling simulations are used to find the most stable solid structures of clusters adsorbed to Au(111). The results show cases where fullerene-Au(111) attraction, fullerene close-packing, and hydrogen-bonding interactions can cooperate to guide self-assembly or compete to hinder it. Finally, we consider three bis-fullerene molecules, each with a different "bridging group" covalently joining two fullerenes. To effectively study the competing "standing-up" and "lying-down" morphologies, we use Monte Carlo simulations in conjunction with replica exchange and force field biasing methods. For clusters adsorbed to smooth model surfaces, we determine free energy landscapes and demonstrate their utility for rationalizing and predicting self-assembly.

Xyce Parallel Electronic Simulator Users' Guide Version 6.7.

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

Keiter, Eric R.; Aadithya, Karthik Venkatraman; Mei, Ting

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel com- puting platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one tomore » develop new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandia's needs, including some radiation- aware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase -- a message passing parallel implementation -- which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. The information herein is subject to change without notice. Copyright c 2002-2017 Sandia Corporation. All rights reserved. Trademarks Xyce TM Electronic Simulator and Xyce TM are trademarks of Sandia Corporation. Orcad, Orcad Capture, PSpice and Probe are registered trademarks of Cadence Design Systems, Inc. Microsoft, Windows and Windows 7 are registered trademarks of Microsoft Corporation. Medici, DaVinci and Taurus are registered trademarks of Synopsys Corporation. Amtec and TecPlot are trademarks of Amtec Engineering, Inc. All other trademarks are property of their respective owners. Contacts World Wide Web http://xyce.sandia.gov https://info.sandia.gov/xyce (Sandia only) Email xyce@sandia.gov (outside Sandia) xyce-sandia@sandia.gov (Sandia only) Bug Reports (Sandia only) http://joseki-vm.sandia.gov/bugzilla http://morannon.sandia.gov/bugzilla« less

Comparison of two training programmes on paramedic-delivered CPR performance.

PubMed

Govender, Kevin; Sliwa, Karen; Wallis, Lee; Pillay, Yugan

2016-05-01

To compare CPR performance in two groups of paramedics who received CPR training from two different CPR training programmes. Conducted in June 2014 at the Hamad Medical Corporation Ambulance Service, the national ambulance service of the State of Qatar, the CPR performances of 149 new paramedic recruits were evaluated after they had received training from either a traditional CPR programme or a tailored CPR programme. Both programmes taught the same content but differed in the way in which this content was delivered to learners. Exclusive to the tailored programme was mandatory precourse work, continuous assessments, a locally developed CPR instructional video and pedagogical activities tailored to the background education and learner style preferences of paramedics. At the end of each respective training programme, a single examiner who was blinded to the type of training paramedics had received, rated them as competent or non-competent on basic life support skills, condition specific skills, specific overall skills and non-technical skills during a simulated out-of-hospital cardiac arrest (OHCA) assessment. Paramedics who received CPR training with the tailored programme were rated competent 70.9% of the time, compared with paramedics who attended the traditional programme and who achieved this rating 7.9% of the time (p<0.001). Specific improvements were seen in the time required to detect cardiac arrest, chest compression quality, and time to first monitored rhythm and delivered shock. In an OHCA scenario, CPR performance rated as competent was significantly higher when training was received using a tailored CPR programme. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Fidelity Witnesses for Fermionic Quantum Simulations

NASA Astrophysics Data System (ADS)

Gluza, M.; Kliesch, M.; Eisert, J.; Aolita, L.

2018-05-01

The experimental interest and developments in quantum spin-1 /2 chains has increased uninterruptedly over the past decade. In many instances, the target quantum simulation belongs to the broader class of noninteracting fermionic models, constituting an important benchmark. In spite of this class being analytically efficiently tractable, no direct certification tool has yet been reported for it. In fact, in experiments, certification has almost exclusively relied on notions of quantum state tomography scaling very unfavorably with the system size. Here, we develop experimentally friendly fidelity witnesses for all pure fermionic Gaussian target states. Their expectation value yields a tight lower bound to the fidelity and can be measured efficiently. We derive witnesses in full generality in the Majorana-fermion representation and apply them to experimentally relevant spin-1 /2 chains. Among others, we show how to efficiently certify strongly out-of-equilibrium dynamics in critical Ising chains. At the heart of the measurement scheme is a variant of importance sampling specially tailored to overlaps between covariance matrices. The method is shown to be robust against finite experimental-state infidelities.

A Validation and Code-to-Code Verification of FAST for a Megawatt-Scale Wind Turbine with Aeroelastically Tailored Blades

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

Guntur, Srinivas; Jonkman, Jason; Sievers, Ryan

This paper presents validation and code-to-code verification of the latest version of the U.S. Department of Energy, National Renewable Energy Laboratory wind turbine aeroelastic engineering simulation tool, FAST v8. A set of 1,141 test cases, for which experimental data from a Siemens 2.3 MW machine have been made available and were in accordance with the International Electrotechnical Commission 61400-13 guidelines, were identified. These conditions were simulated using FAST as well as the Siemens in-house aeroelastic code, BHawC. This paper presents a detailed analysis comparing results from FAST with those from BHawC as well as experimental measurements, using statistics including themore » means and the standard deviations along with the power spectral densities of select turbine parameters and loads. Results indicate a good agreement among the predictions using FAST, BHawC, and experimental measurements. Here, these agreements are discussed in detail in this paper, along with some comments regarding the differences seen in these comparisons relative to the inherent uncertainties in such a model-based analysis.« less

A Validation and Code-to-Code Verification of FAST for a Megawatt-Scale Wind Turbine with Aeroelastically Tailored Blades

DOE PAGES

Guntur, Srinivas; Jonkman, Jason; Sievers, Ryan; ...

2017-08-29

This paper presents validation and code-to-code verification of the latest version of the U.S. Department of Energy, National Renewable Energy Laboratory wind turbine aeroelastic engineering simulation tool, FAST v8. A set of 1,141 test cases, for which experimental data from a Siemens 2.3 MW machine have been made available and were in accordance with the International Electrotechnical Commission 61400-13 guidelines, were identified. These conditions were simulated using FAST as well as the Siemens in-house aeroelastic code, BHawC. This paper presents a detailed analysis comparing results from FAST with those from BHawC as well as experimental measurements, using statistics including themore » means and the standard deviations along with the power spectral densities of select turbine parameters and loads. Results indicate a good agreement among the predictions using FAST, BHawC, and experimental measurements. Here, these agreements are discussed in detail in this paper, along with some comments regarding the differences seen in these comparisons relative to the inherent uncertainties in such a model-based analysis.« less

Exploratory piloted simulator study of the effects of winglets on handling qualities of a representative agricultural airplane

NASA Technical Reports Server (NTRS)

Ogburn, M. E.; Brown, P. W.

1980-01-01

The effects on handling qualities of adding winglets to a representative agricultural aircraft configuration during swath-run maneuvering were evaluated. Aerodynamic data used in the simulation were based on low-speed wind tunnel tests of a full scale airplane and a subscale model. The Cooper-Harper handling qualities rating scale, supplementary pilot comments, and pilot vehicle performance data were used to describe the handling qualities of the airplane with the different wing-tip configurations. Results showed that the lateral-directional handling qualities of the airplane were greatly affected by the application of winglets and winglet cant angle. The airplane with winglets canted out 20 deg exhibited severely degraded lateral directional handling qualities in comparison to the basic airplane. When the winglets were canted inward 10 deg, the flying qualities of the configuration were markedly improved over those of the winglet-canted-out configuration or the basic configuration without winglets, indicating that proper tailoring of the winglet design may afford a potential benefit in the area of handling qualities.

Characterization and modeling of microstructured chalcogenide fibers for efficient mid-infrared wavelength conversion.

PubMed

Xing, Sida; Grassani, Davide; Kharitonov, Svyatoslav; Billat, Adrien; Brès, Camille-Sophie

2016-05-02

We experimentally demonstrate wavelength conversion in the 2 µm region by four-wave mixing in an AsSe and a GeAsSe chalcogenide photonic crystal fibers. A maximum conversion efficiency of -25.4 dB is measured for 112 mW of coupled continuous wave pump in a 27 cm long fiber. We estimate the dispersion parameters and the nonlinear refractive indexes of the chalcogenide PCFs, establishing a good agreement with the values expected from simulations. The different fiber geometries and glass compositions are compared in terms of performance, showing that GeAsSe is a more suited candidate for nonlinear optics at 2 µm. Building from the fitted parameters we then propose a new tapered GeAsSe PCF geometry to tailor the waveguide dispersion and lower the zero dispersion wavelength (ZDW) closer to the 2 µm pump wavelength. Numerical simulations shows that the new design allows both an increased conversion efficiency and bandwidth, and the generation of idler waves further in the mid-IR regions, by tuning the pump wavelength in the vicinity of the fiber ZDW.

Clustering molecular dynamics trajectories for optimizing docking experiments.

PubMed

De Paris, Renata; Quevedo, Christian V; Ruiz, Duncan D; Norberto de Souza, Osmar; Barros, Rodrigo C

2015-01-01

Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR) model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

Optical image security using Stokes polarimetry of spatially variant polarized beam

NASA Astrophysics Data System (ADS)

Fatima, Areeba; Nishchal, Naveen K.

2018-06-01

We propose a novel security scheme that uses vector beam characterized by the spatially variant polarization distribution. A vector beam is so generated that its helical components carry tailored phases corresponding to the image/images that is/are to be encrypted. The tailoring of phase has been done by employing the modified Gerchberg-Saxton algorithm for phase retrieval. Stokes parameters for the final vector beam is evaluated and is used to construct the ciphertext and one of the keys. The advantage of the proposed scheme is that it generates real ciphertext and keys which are easier to transmit and store than complex quantities. Moreover, the known plaintext attack is not applicable to this system. As a proof-of-concept, simulation results have been presented for securing single and double gray-scale images.

Reaching to Throw Compared to Reaching to Place: A Comparison across Individuals with and without Developmental Coordination Disorder

ERIC Educational Resources Information Center

Wilmut, Kate; Byrne, Maia; Barnett, Anna L.

2013-01-01

When picking up an object, adults show a longer deceleration phase when the onward action has a greater precision requirement. Tailoring action in this way is thought to need forward modelling in order to predict the consequences of movement. Some evidence suggests that young children also tailor reaching in this way; however, how this skill…

A Successful Application of Latent Trait Theory to Tailored Achievement Testing.

DTIC Science & Technology

1980-02-01

strategy for achieve- ment test batteries (Research Report 77-6). Minneapolis: University of Minnesota, Department of Psychology , Psychometric Methods...trait models to tailored testing (Research Report 79-1). Columbia: Uni- versity of Missouri, Department of Educational Psychology , 1979. Lord, F. M. A... Psychology Psychometric Research Group Kawauchi, Sendai 980 Educational Testing Service JAPAN Princeton, NJ 08541 Dr. Edwin Shirkey 1 Dr. Kikui

Population-Tailored Care for Homeless Veterans and Acute Care Use, Cost, and Satisfaction: A Prospective Quasi-Experimental Trial

PubMed Central

Johnson, Erin E.; Borgia, Matthew; Noack, Amy; Yoon, Jean; Gehlert, Elizabeth; Lo, Jeanie

2018-01-01

Introduction Although traditional patient-centered medical homes (PCMHs) are effective for patients with complex needs, it is unclear whether homeless-tailored PCMHs work better for homeless veterans. We examined the impact of enrollment in a Veterans Health Administration (VHA) homeless-tailored PCMH on health services use, cost, and satisfaction compared with enrollment in a traditional, nontailored PCMH. Methods We conducted a prospective, multicenter, quasi-experimental, single-blinded study at 2 VHA medical centers to assess health services use, cost, and satisfaction during 12 months among 2 groups of homeless veterans: 1) veterans receiving VHA homeless-tailored primary care (Homeless-Patient Aligned Care Team [H-PACT]) and 2) veterans receiving traditional primary care services (PACT). A cohort of 266 homeless veterans enrolled from June 2012 through January 2014. Results Compared with PACT patients, H-PACT patients had more social work visits (4.6 vs 2.7 visits) and fewer emergency department (ED) visits for ambulatory care-sensitive conditions (0 vs 0.2 visits); a significantly smaller percentage of veterans in H-PACT were hospitalized (23.1% vs 35.4%) or had mental health–related ED visits (34.1% vs 47.6%). We found significant differences in primary care provider–specific visits (H-PACT, 5.1 vs PACT, 3.6 visits), mental health care visits (H-PACT, 8.8 vs PACT, 13.4 visits), 30-day prescription drug fills (H-PACT, 40.5 vs PACT, 58.8 fills), and use of group therapy (H-PACT, 40.1% vs PACT, 53.7%). Annual costs per patient were significantly higher in the PACT group than the H-PACT group ($37,415 vs $28,036). In logistic regression model of acute care use, assignment to the H-PACT model was protective as was rating health “good” or better. Conclusion Homeless veterans enrolled in the population-tailored primary care approach used less acute care and costs were lower. Tailored-care models have implications for care coordination in the US Department of Veterans Affairs VA and community health systems. PMID:29451116

A Mathematical Model to study the Dynamics of Epithelial Cellular Networks

PubMed Central

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

2013-01-01

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

Cure fraction model with random effects for regional variation in cancer survival.

PubMed

Seppä, Karri; Hakulinen, Timo; Kim, Hyon-Jung; Läärä, Esa

2010-11-30

Assessing regional differences in the survival of cancer patients is important but difficult when separate regions are small or sparsely populated. In this paper, we apply a mixture cure fraction model with random effects to cause-specific survival data of female breast cancer patients collected by the population-based Finnish Cancer Registry. Two sets of random effects were used to capture the regional variation in the cure fraction and in the survival of the non-cured patients, respectively. This hierarchical model was implemented in a Bayesian framework using a Metropolis-within-Gibbs algorithm. To avoid poor mixing of the Markov chain, when the variance of either set of random effects was close to zero, posterior simulations were based on a parameter-expanded model with tailor-made proposal distributions in Metropolis steps. The random effects allowed the fitting of the cure fraction model to the sparse regional data and the estimation of the regional variation in 10-year cause-specific breast cancer survival with a parsimonious number of parameters. Before 1986, the capital of Finland clearly stood out from the rest, but since then all the 21 hospital districts have achieved approximately the same level of survival. Copyright © 2010 John Wiley & Sons, Ltd.

Web-Based Video-Coaching to Assist an Automated Computer-Tailored Physical Activity Intervention for Inactive Adults: A Randomized Controlled Trial.

PubMed

Alley, Stephanie; Jennings, Cally; Plotnikoff, Ronald C; Vandelanotte, Corneel

2016-08-12

Web-based physical activity interventions that apply computer tailoring have shown to improve engagement and behavioral outcomes but provide limited accountability and social support for participants. It is unknown how video calls with a behavioral expert in a Web-based intervention will be received and whether they improve the effectiveness of computer-tailored advice. The purpose of this study was to determine the feasibility and effectiveness of brief video-based coaching in addition to fully automated computer-tailored advice in a Web-based physical activity intervention for inactive adults. Participants were assigned to one of the three groups: (1) tailoring + video-coaching where participants received an 8-week computer-tailored Web-based physical activity intervention ("My Activity Coach") including 4 10-minute coaching sessions with a behavioral expert using a Web-based video-calling program (eg, Skype; n=52); (2) tailoring-only where participants received the same intervention without the coaching sessions (n=54); and (3) a waitlist control group (n=45). Demographics were measured at baseline, intervention satisfaction at week 9, and physical activity at baseline, week 9, and 6 months by Web-based self-report surveys. Feasibility was analyzed by comparing intervention groups on retention, adherence, engagement, and satisfaction using t tests and chi-square tests. Effectiveness was assessed using linear mixed models to compare physical activity changes between groups. A total of 23 tailoring + video-coaching participants, 30 tailoring-only participants, and 30 control participants completed the postintervention survey (83/151, 55.0% retention). A low percentage of tailoring + video-coaching completers participated in the coaching calls (11/23, 48%). However, the majority of those who participated in the video calls were satisfied with them (5/8, 71%) and had improved intervention adherence (9/11, 82% completed 3 or 4 modules vs 18/42, 43%, P=.01) and engagement (110 minutes spent on the website vs 78 minutes, P=.02) compared with other participants. There were no overall retention, adherence, engagement, and satisfaction differences between tailoring + video-coaching and tailoring-only participants. At 9 weeks, physical activity increased from baseline to postintervention in all groups (tailoring + video-coaching: +150 minutes/week; tailoring only: +123 minutes/week; waitlist control: +34 minutes/week). The increase was significantly higher in the tailoring + video-coaching group compared with the control group (P=.01). No significant difference was found between intervention groups and no significant between-group differences were found for physical activity change at 6 months. Only small improvements were observed when video-coaching was added to computer-tailored advice in a Web-based physical activity intervention. However, combined Web-based video-coaching and computer-tailored advice was effective in comparison with a control group. More research is needed to determine whether Web-based coaching is more effective than stand-alone computer-tailored advice. Australian New Zealand Clinical Trials Registry (ACTRN): 12614000339651; http://www.anzctr.org.au/TrialSearch.aspx?searchTxt=ACTRN12614000339651+&isBasic=True (Archived by WebCite at http://www.webcitation.org/6jTnOv0Ld).

Web-Based Video-Coaching to Assist an Automated Computer-Tailored Physical Activity Intervention for Inactive Adults: A Randomized Controlled Trial

PubMed Central

Jennings, Cally; Plotnikoff, Ronald C; Vandelanotte, Corneel

2016-01-01

Background Web-based physical activity interventions that apply computer tailoring have shown to improve engagement and behavioral outcomes but provide limited accountability and social support for participants. It is unknown how video calls with a behavioral expert in a Web-based intervention will be received and whether they improve the effectiveness of computer-tailored advice. Objective The purpose of this study was to determine the feasibility and effectiveness of brief video-based coaching in addition to fully automated computer-tailored advice in a Web-based physical activity intervention for inactive adults. Methods Participants were assigned to one of the three groups: (1) tailoring + video-coaching where participants received an 8-week computer-tailored Web-based physical activity intervention (“My Activity Coach”) including 4 10-minute coaching sessions with a behavioral expert using a Web-based video-calling program (eg, Skype; n=52); (2) tailoring-only where participants received the same intervention without the coaching sessions (n=54); and (3) a waitlist control group (n=45). Demographics were measured at baseline, intervention satisfaction at week 9, and physical activity at baseline, week 9, and 6 months by Web-based self-report surveys. Feasibility was analyzed by comparing intervention groups on retention, adherence, engagement, and satisfaction using t tests and chi-square tests. Effectiveness was assessed using linear mixed models to compare physical activity changes between groups. Results A total of 23 tailoring + video-coaching participants, 30 tailoring-only participants, and 30 control participants completed the postintervention survey (83/151, 55.0% retention). A low percentage of tailoring + video-coaching completers participated in the coaching calls (11/23, 48%). However, the majority of those who participated in the video calls were satisfied with them (5/8, 71%) and had improved intervention adherence (9/11, 82% completed 3 or 4 modules vs 18/42, 43%, P=.01) and engagement (110 minutes spent on the website vs 78 minutes, P=.02) compared with other participants. There were no overall retention, adherence, engagement, and satisfaction differences between tailoring + video-coaching and tailoring-only participants. At 9 weeks, physical activity increased from baseline to postintervention in all groups (tailoring + video-coaching: +150 minutes/week; tailoring only: +123 minutes/week; waitlist control: +34 minutes/week). The increase was significantly higher in the tailoring + video-coaching group compared with the control group (P=.01). No significant difference was found between intervention groups and no significant between-group differences were found for physical activity change at 6 months. Conclusions Only small improvements were observed when video-coaching was added to computer-tailored advice in a Web-based physical activity intervention. However, combined Web-based video-coaching and computer-tailored advice was effective in comparison with a control group. More research is needed to determine whether Web-based coaching is more effective than stand-alone computer-tailored advice. Trial Registration Australian New Zealand Clinical Trials Registry (ACTRN): 12614000339651; http://www.anzctr.org.au/TrialSearch.aspx?searchTxt=ACTRN12614000339651+&isBasic=True (Archived by WebCite at http://www.webcitation.org/6jTnOv0Ld) PMID:27520283

TH-AB-207A-09: Tailoring TCM Schemes to a Task: Evaluating the Impact of Customized TCM Profiles On Detection of Lung Nodules in Simulated CT Lung Cancer Screening

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

Hoffman, J; McNitt-Gray, M; Noo, F

Purpose: Recent work has shown that current TCM profile designs boost detection of low-contrast lung lesions in the lung apices, but yield reduced detection performance in the mid and lower lung regions relative to fixed tube current cases. This observed imbalance suggests that the TCM scheme might be tailored in new ways to maximize nodule detection throughout the entire lung. In this work, we begin a preliminary investigation into custom TCM profiles in an attempt to achieve uniform lesion detection throughout the extent of the lung. Methods: Low-contrast (25HU), 6mm nodules representing ground glass opacities were simulated at 1mm intervalsmore » over the length the lungs in a voxelized model of the XCAT phantom, one nodule per lung, per simulated scan. Voxel values represented attenuation values at 80keV. CT projection data was created by simulating a finite focal spot and using Joseph’s method for forward projection; scanner geometry was that of the Siemens Sensation 64 and the X-ray source was simulated as an 80keV monochromatic beam. Noise realizations were created using Poisson statistics, a realistic bowtie filter and varying tube current. 500 noise realizations were created for the custom TCM designs. All reconstruction was done with FreeCT-wFBP. An SKE/BKE task was used in conjunction with a 2D Hotelling Observer to calculate area-under-the-curve (AUC) as a proxy for “detectability.” AUC was plotted as a function of nodule Z-location to create a “detectability map.” The detectability map for the custom TCM curve was qualitatively assessed relative to previous results for the fixed TC and clinical TCM cases for uniformity. Results: Detection uniformity was improved throughout the mid and lower lungs, however detection remained disproportionately high in the upper lung region. Conclusion: Detection uniformity was improved with a custom TC profile. Future work will incorporate an analytic, task-specific approach to optimize the TC scheme for nodule detection. J. Hoffman: Part-time intern, Toshiba Medical Research Institute; M. McNitt-Gray: Institutional research agreement, Siemens Healthcare; Past recipient, research grant support, Siemens Healthcare; Consultant, Toshiba America Medical Systems; Consultant, Samsung Electronics; F. Noo: Institutional research agreement, Siemens Healthcare; Receives research funding from Siemens Healthcare.« less

Simulated climate effects of desert irrigation geoengineering.

PubMed

Cheng, Wei; Moore, John C; Cao, Long; Ji, Duoying; Zhao, Liyun

2017-04-18

Geoengineering, the deliberate large-scale manipulation of earth's energy balance to counteract global warming, is an attractive proposition for sparsely populated deserts. We use the BNU and UVic Earth system models to simulate the effects of irrigating deserts under the RCP8.5 scenario. Previous studies focused on increasing desert albedo to reduce global warming; in contrast we examine how extending afforestation and ecological projects, that successfully improve regional environments, fair for geoengineering purposes. As expected desert irrigation allows vegetation to grow, with bare soil or grass gradually becoming shrub or tree covered, with increases in terrestrial carbon storage of 90.3 Pg C (UVic-ESCM) - 143.9 Pg C (BNU-ESM). Irrigating global deserts makes the land surface temperature decrease by 0.48 °C and land precipitation increase by 100 mm yr -1 . In the irrigated areas, BNU-ESM simulates significant cooling of up to 4.2 °C owing to the increases in low cloud and latent heat which counteract the warming effect due to decreased surface albedo. Large volumes of water would be required to maintain global desert irrigation, equivalent 10 mm/year of global sea level (BNU-ESM) compensate for evapotranspiration losses. Differences in climate responses between the deserts prompt research into tailored albedo-irrigation schemes.

Simulated climate effects of desert irrigation geoengineering

PubMed Central

Cheng, Wei; Moore, John C.; Cao, Long; Ji, Duoying; Zhao, Liyun

2017-01-01

Geoengineering, the deliberate large-scale manipulation of earth’s energy balance to counteract global warming, is an attractive proposition for sparsely populated deserts. We use the BNU and UVic Earth system models to simulate the effects of irrigating deserts under the RCP8.5 scenario. Previous studies focused on increasing desert albedo to reduce global warming; in contrast we examine how extending afforestation and ecological projects, that successfully improve regional environments, fair for geoengineering purposes. As expected desert irrigation allows vegetation to grow, with bare soil or grass gradually becoming shrub or tree covered, with increases in terrestrial carbon storage of 90.3 Pg C (UVic-ESCM) – 143.9 Pg C (BNU-ESM). Irrigating global deserts makes the land surface temperature decrease by 0.48 °C and land precipitation increase by 100 mm yr−1. In the irrigated areas, BNU-ESM simulates significant cooling of up to 4.2 °C owing to the increases in low cloud and latent heat which counteract the warming effect due to decreased surface albedo. Large volumes of water would be required to maintain global desert irrigation, equivalent 10 mm/year of global sea level (BNU-ESM) compensate for evapotranspiration losses. Differences in climate responses between the deserts prompt research into tailored albedo-irrigation schemes. PMID:28418005

Generating target system specifications from a domain model using CLIPS

NASA Technical Reports Server (NTRS)

Sugumaran, Vijayan; Gomaa, Hassan; Kerschberg, Larry

1991-01-01

The quest for reuse in software engineering is still being pursued and researchers are actively investigating the domain modeling approach to software construction. There are several domain modeling efforts reported in the literature and they all agree that the components that are generated from domain modeling are more conducive to reuse. Once a domain model is created, several target systems can be generated by tailoring the domain model or by evolving the domain model and then tailoring it according to the specified requirements. This paper presents the Evolutionary Domain Life Cycle (EDLC) paradigm in which a domain model is created using multiple views, namely, aggregation hierarchy, generalization/specialization hierarchies, object communication diagrams and state transition diagrams. The architecture of the Knowledge Based Requirements Elicitation Tool (KBRET) which is used to generate target system specifications is also presented. The preliminary version of KBRET is implemented in the C Language Integrated Production System (CLIPS).

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

Compressing climate model simulations: reducing storage burden while preserving information

NASA Astrophysics Data System (ADS)

Hammerling, Dorit; Baker, Allison; Xu, Haiying; Clyne, John; Li, Samuel

2017-04-01

Climate models, which are run at high spatial and temporal resolutions, generate massive quantities of data. As our computing capabilities continue to increase, storing all of the generated data is becoming a bottleneck, which negatively affects scientific progress. It is thus important to develop methods for representing the full datasets by smaller compressed versions, which still preserve all the critical information and, as an added benefit, allow for faster read and write operations during analysis work. Traditional lossy compression algorithms, as for example used for image files, are not necessarily ideally suited for climate data. While visual appearance is relevant, climate data has additional critical features such as the preservation of extreme values and spatial and temporal gradients. Developing alternative metrics to quantify information loss in a manner that is meaningful to climate scientists is an ongoing process still in its early stages. We will provide an overview of current efforts to develop such metrics to assess existing algorithms and to guide the development of tailored compression algorithms to address this pressing challenge.

SEL Ada reuse analysis and representations

NASA Technical Reports Server (NTRS)

Kester, Rush

1990-01-01

Overall, it was revealed that the pattern of Ada reuse has evolved from initial reuse of utility components into reuse of generalized application architectures. Utility components were both domain-independent utilities, such as queues and stacks, and domain-specific utilities, such as those that implement spacecraft orbit and attitude mathematical functions and physics or astronomical models. The level of reuse was significantly increased with the development of a generalized telemetry simulator architecture. The use of Ada generics significantly increased the level of verbatum reuse, which is due to the ability, using Ada generics, to parameterize the aspects of design that are configurable during reuse. A key factor in implementing generalized architectures was the ability to use generic subprogram parameters to tailor parts of the algorithm embedded within the architecture. The use of object oriented design (in which objects model real world entities) significantly improved the modularity for reuse. Encapsulating into packages the data and operations associated with common real world entities creates natural building blocks for reuse.

Simulation of semi-arid biomass plantations and irrigation using the WRF-NOAH model - a comparison with observations from Israel

NASA Astrophysics Data System (ADS)

Branch, O.; Warrach-Sagi, K.; Wulfmeyer, V.; Cohen, S.

2014-05-01

A 10 × 10 km irrigated biomass plantation was simulated in an arid region of Israel to simulate diurnal energy balances during the summer of 2012 (JJA). The goal is to examine daytime horizontal flux gradients between plantation and desert. Simulations were carried out within the coupled WRF-NOAH atmosphere/land surface model. MODIS land surface data was adjusted by prescribing tailored land surface and soil/plant parameters, and by adding a controllable sub-surface irrigation scheme to NOAH. Two model cases studies were compared - Impact and Control. Impact simulates the irrigated plantation. Control simulates the existing land surface, where the predominant land surface is bare desert soil. Central to the study is parameter validation against land surface observations from a desert site and from a 400 ha Simmondsia chinensis (jojoba) plantation. Control was validated with desert observations, and Impact with Jojoba observations. Model evapotranspiration was validated with two Penman-Monteith estimates based on the observations. Control simulates daytime desert conditions with a maximum deviation for surface 2 m air temperatures (T2) of 0.2 °C, vapour pressure deficit (VPD) of 0.25 hPa, wind speed (U) of 0.5 m s-1, surface radiation (Rn) of 25 W m-2, soil heat flux (G) of 30 W m-2 and 5 cm soil temperatures (ST5) of 1.5 °C. Impact simulates irrigated vegetation conditions with a maximum deviation for T2 of 1-1.5 °C, VPD of 0.5 hPa, U of 0.5 m s-1, Rn of 50 W m-5, G of 40 W m-2 and ST5 of 2 °C. Latent heat curves in Impact correspond closely with Penman-Monteith estimates, and magnitudes of 160 W m-2 over the plantation are usual. Sensible heat fluxes, are around 450 W m-2 and are at least 100-110 W m-2 higher than the surrounding desert. This surplus is driven by reduced albedo and high surface resistance, and demonstrates that high evaporation rates may not occur over Jojoba if irrigation is optimized. Furthermore, increased daytime T2 over plantations highlight the need for hourly as well as daily mean statistics. Daily mean statistics alone may imply an overall cooling effect due to surplus nocturnal cooling, when in fact a daytime warming effect is observed.

Effectiveness of web-based tailored smoking cessation advice reports (iQuit): a randomized trial.

PubMed

Mason, Dan; Gilbert, Hazel; Sutton, Stephen

2012-12-01

To determine whether web-based tailored cessation advice, based on social cognitive theory and the perspectives on change model, was more effective in aiding a quit attempt than broadly similar web-based advice that was not tailored. Participants were allocated randomly to one of two groups, to receive either a cessation advice report and progress report that were tailored to individual-level characteristics or a cessation advice report that presented standardized (non-tailored) content. Tailoring was based on smoking-related beliefs, personal characteristics and smoking patterns, self-efficacy and outcome expectations. Participant enrolment and baseline assessments were conducted remotely online via the study website, with the advice reports presented by the same website. Participants (n = 1758) were visitors to the QUIT website who were based in the United Kingdom, aged 18 years or over and who smoked cigarettes or hand-rolled tobacco. Follow-up assessments were made at 6 months by telephone interview. The primary outcome measure was self-reported 3 months prolonged abstinence, and secondary outcomes were 1 month prolonged abstinence, 7-day and 24-hour point prevalence abstinence. The intervention group did not differ from the control group on the primary outcome (9.1% versus 9.3%; odds ratio = 1.02 95% confidence interval 0.73-1.42) or on any of the secondary outcomes. Intervention participants gave more positive evaluations of the materials than control participants. A web-based intervention that tailored content according to smoking-related beliefs, personal characteristics and smoking patterns, self-efficacy and outcome expectations, was not more effective than web-based materials presenting broadly similar non-tailored information. © 2012 The Authors, Addiction © 2012 Society for the Study of Addiction.

Clinical Trial of Tailored Activity and Eating Newsletters with Older Rural Women

PubMed Central

Walker, Susan Noble; Pullen, Carol H.; Boeckner, Linda; Hageman, Patricia A.; Hertzog, Melody; Oberdorfer, Maureen K.; Rutledge, Matthew J.

2009-01-01

Background Unhealthy diet and lack of physical activity increase rural midlife and older women’s risk for chronic diseases and premature death, and they are behind urban residents in meeting Healthy People 2010 objectives. Objectives To compare a tailored intervention based on the Health Promotion Model (HPM) and a generic intervention to increase physical activity and healthy eating among rural women. Methods In a randomized by site community-based controlled clinical trial, Wellness for Women, 225 women aged 50 to 69 years were recruited in two similar rural areas. Over 12 months, women received by mail either 18 generic newsletters or 18 newsletters computer-tailored on HPM behavior-specific cognitions (benefits, barriers, self-efficacy, and interpersonal support), activity, and eating. Outcomes at 6 and 12 months included behavioral markers and biomarkers of physical activity and eating. Data were analyzed by repeated measures ANOVA and χ2 tests (α < .05). Results Both groups significantly increased stretching and strengthening exercise and fruit and vegetable servings and decreased % calories from fat, while only the tailored group increased ≥ moderate intensity activity and decreased % calories from saturated fat from baseline to 6 months. Both groups increased stretching and strengthening exercise, while only the tailored group increased ≥ moderate activity and fruit and vegetable servings and decreased % calories from fat from baseline to 12 months. Both groups had several changes in biomarkers over the study. A higher proportion of women receiving tailored newsletters met Healthy People 2010 criteria for ≥ moderate activity, fruit and vegetable servings, and % calories from fat at 12 months. Discussion Mailed computer-tailored and generic print newsletters facilitated the adoption of change in both activity and eating over 6 months. Tailored newsletters were more efficacious in facilitating change over 12 months. PMID:19289928

Ion kinetic effects on the ignition and burn of inertial confinement fusion targets: A multi-scale approach

NASA Astrophysics Data System (ADS)

Peigney, B. E.; Larroche, O.; Tikhonchuk, V.

2014-12-01

In this article, we study the hydrodynamics and burn of the thermonuclear fuel in inertial confinement fusion pellets at the ion kinetic level. The analysis is based on a two-velocity-scale Vlasov-Fokker-Planck kinetic model that is specially tailored to treat fusion products (suprathermal α-particles) in a self-consistent manner with the thermal bulk. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A typical hot-spot ignition design is considered. Compared with fluid simulations where a multi-group diffusion scheme is applied to model α transport, the full ion-kinetic approach reveals significant non-local effects on the transport of energetic α-particles. This has a direct impact on hydrodynamic spatial profiles during combustion: the hot spot reactivity is reduced, while the inner dense fuel layers are pre-heated by the escaping α-suprathermal particles, which are transported farther out of the hot spot. We show how the kinetic transport enhancement of fusion products leads to a significant reduction of the fusion yield.

Quantitative characterization of surface topography using spectral analysis

NASA Astrophysics Data System (ADS)

Jacobs, Tevis D. B.; Junge, Till; Pastewka, Lars

2017-03-01

Roughness determines many functional properties of surfaces, such as adhesion, friction, and (thermal and electrical) contact conductance. Recent analytical models and simulations enable quantitative prediction of these properties from knowledge of the power spectral density (PSD) of the surface topography. The utility of the PSD is that it contains statistical information that is unbiased by the particular scan size and pixel resolution chosen by the researcher. In this article, we first review the mathematical definition of the PSD, including the one- and two-dimensional cases, and common variations of each. We then discuss strategies for reconstructing an accurate PSD of a surface using topography measurements at different size scales. Finally, we discuss detecting and mitigating artifacts at the smallest scales, and computing upper/lower bounds on functional properties obtained from models. We accompany our discussion with virtual measurements on computer-generated surfaces. This discussion summarizes how to analyze topography measurements to reconstruct a reliable PSD. Analytical models demonstrate the potential for tuning functional properties by rationally tailoring surface topography—however, this potential can only be achieved through the accurate, quantitative reconstruction of the PSDs of real-world surfaces.

A novel partitioning method for block-structured adaptive meshes

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

Fu, Lin, E-mail: lin.fu@tum.de; Litvinov, Sergej, E-mail: sergej.litvinov@aer.mw.tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtainmore » the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.« less

Modeling distortion of HIT by an Actuator Disk in a periodic domain

NASA Astrophysics Data System (ADS)

Ghate, Aditya; Ghaisas, Niranjan; Lele, Sanjiva

2017-11-01

We study the distortion of incompressible, homogeneous isotropic turbulence (HIT) by a dragging actuator disk with a fixed thrust coefficient (under the large Reynolds number limit), using Large Eddy Simulation (LES). The HIT inflow is tailored to ensure that the largest length scales in the flow are smaller than the actuator disk diameter in order to minimize the meandering of the turbulent wake and isolate the length scales that undergo distortion. The numerical scheme (Fourier collocation with dealiasing) and the SGS closure (anisotropic minimum dissipation model) are carefully selected to minimize numerical artifacts expected due to the inviscid assumption. The LES is used to characterize the following 3 properties of the flow a) distortion of HIT due to the expanding streamtube resulting in strong anisotropy, b) turbulent pressure modulation across the actuator disk, and the c) turbulent wake state. Finally, we attempt to model the initial distortion and the pressure modulation using a WKB variant of RDT solved numerically using a set of discrete Gabor modes. Funding provided by Precourt Institute for Energy at Stanford University.

An Overview of Mechanical Properties and Material Modeling of Polylactide (PLA) for Medical Applications.

PubMed

Bergström, Jörgen S; Hayman, Danika

2016-02-01

This article provides an overview of the connection between the microstructural state and the mechanical response of various bioresorbable polylactide (PLA) devices for medical applications. PLLA is currently the most commonly used material for bioresorbable stents and sutures, and its use is increasing in many other medical applications. The non-linear mechanical response of PLLA, due in part to its low glass transition temperature (T g ≈ 60 °C), is highly sensitive to the molecular weight and molecular orientation field, the degree of crystallinity, and the physical aging time. These microstructural parameters can be tailored for specific applications using different resin formulations and processing conditions. The stress-strain, deformation, and degradation response of a bioresorbable medical device is also strongly dependent on the time history of applied loads and boundary conditions. All of these factors can be incorporated into a suitable constitutive model that captures the multiple physics that are involved in the device response. Currently developed constitutive models already provide powerful computations simulation tools, and more progress in this area is expected to occur in the coming years.

A novel partitioning method for block-structured adaptive meshes

NASA Astrophysics Data System (ADS)

Fu, Lin; Litvinov, Sergej; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-07-01

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

Ion kinetic effects on the ignition and burn of inertial confinement fusion targets: A multi-scale approach

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

Peigney, B. E.; Larroche, O.; Tikhonchuk, V.

2014-12-15

In this article, we study the hydrodynamics and burn of the thermonuclear fuel in inertial confinement fusion pellets at the ion kinetic level. The analysis is based on a two-velocity-scale Vlasov-Fokker-Planck kinetic model that is specially tailored to treat fusion products (suprathermal α-particles) in a self-consistent manner with the thermal bulk. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A typical hot-spot ignition design is considered. Compared with fluid simulations where a multi-group diffusion scheme is applied to model α transport, the full ion-kinetic approach reveals significant non-local effectsmore » on the transport of energetic α-particles. This has a direct impact on hydrodynamic spatial profiles during combustion: the hot spot reactivity is reduced, while the inner dense fuel layers are pre-heated by the escaping α-suprathermal particles, which are transported farther out of the hot spot. We show how the kinetic transport enhancement of fusion products leads to a significant reduction of the fusion yield.« less

Computer Resources Handbook for Flight Critical Systems.

DTIC Science & Technology

1985-01-01

8183 UNCLASSIFIED F /G 1 /3 NLllEEEEEEEEEEEE Illll lflflflflfl Illlfll..lflll EIEEIhEEIIIIII llElfllfllflfllfll .flflflflflflflflflflflll llEEEEEEllEII...Requiring Simulation .... ............. ... 114 6-4 Typical Transition Elements of Care III. ...... ............ 116 D- 1 F -16 Digital Flight Control...following forms: 1 . By reference to MIL- F -9490(for flight control systems); 2. By reference, with tailoring if required, to a Federal Aviation Regulation

Transitioning Streaming to Trapping in DC Insulator-based Dielectrophoresis for Biomolecules

PubMed Central

Camacho-Alanis, Fernanda; Gan, Lin; Ros, Alexandra

2012-01-01

Exploiting dielectrophoresis (DEP) to concentrate and separate biomolecules has recently shown large potential as a microscale bioanalytical tool. Such efforts however require tailored devices and knowledge of all interplaying transport mechanisms competing with dielectrophoresis (DEP). Specifically, a strong DEP contribution to the overall transport mechanism is necessary to exploit DEP of biomolecules for analytical applications such as separation and fractionation. Here, we present improved microfluidic devices combining optical lithography and focused ion beam milling (FIBM) for the manipulation of DNA and proteins using insulator-based dielectrophoresis (iDEP) and direct current (DC) electric fields. Experiments were performed on an elastomer platform forming the iDEP microfluidic device with integrated nanoposts and nanopost arrays. Microscale and nanoscale iDEP was studied for λ-DNA (48.5 kbp) and the protein bovine serum albumin (BSA). Numerical simulations were adapted to the various tested geometries revealing excellent qualitative agreement with experimental observations for streaming and trapping DEP. Both the experimental and simulation results indicate that DC iDEP trapping for λ-DNA occurs with tailored nanoposts fabricated via FIBM. Moreover, streaming iDEP concentration of BSA is improved with integrated nanopost arrays by a factor of 45 compared to microfabricated arrays. PMID:23441049

Social cognitive theory, metacognition, and simulation learning in nursing education.

PubMed

Burke, Helen; Mancuso, Lorraine

2012-10-01

Simulation learning encompasses simple, introductory scenarios requiring response to patients' needs during basic hygienic care and during situations demanding complex decision making. Simulation integrates principles of social cognitive theory (SCT) into an interactive approach to learning that encompasses the core principles of intentionality, forethought, self-reactiveness, and self-reflectiveness. Effective simulation requires an environment conducive to learning and introduces activities that foster symbolic coding operations and mastery of new skills; debriefing builds self-efficacy and supports self-regulation of behavior. Tailoring the level of difficulty to students' mastery level supports successful outcomes and motivation to set higher standards. Mindful selection of simulation complexity and structure matches course learning objectives and supports progressive development of metacognition. Theory-based facilitation of simulated learning optimizes efficacy of this learning method to foster maturation of cognitive processes of SCT, metacognition, and self-directedness. Examples of metacognition that are supported through mindful, theory-based implementation of simulation learning are provided. Copyright 2012, SLACK Incorporated.

Implementing international osteoarthritis treatment guidelines in primary health care: study protocol for the SAMBA stepped wedge cluster randomized controlled trial.

PubMed

Østerås, Nina; van Bodegom-Vos, Leti; Dziedzic, Krysia; Moseng, Tuva; Aas, Eline; Andreassen, Øyvor; Mdala, Ibrahim; Natvig, Bård; Røtterud, Jan Harald; Schjervheim, Unni-Berit; Vlieland, Thea Vliet; Hagen, Kåre Birger

2015-12-02

Previous research indicates that people with osteoarthritis (OA) are not receiving the recommended and optimal treatment. Based on international treatment recommendations for hip and knee OA and previous research, the SAMBA model for integrated OA care in Norwegian primary health care has been developed. The model includes physiotherapist (PT) led patient OA education sessions and an exercise programme lasting 8-12 weeks. This study aims to assess the effectiveness, feasibility, and costs of a tailored strategy to implement the SAMBA model. A cluster randomized controlled trial with stepped wedge design including an effect, process, and cost evaluation will be conducted in six municipalities (clusters) in Norway. The municipalities will be randomized for time of crossover from current usual care to the implementation of the SAMBA model by a tailored strategy. The tailored strategy includes interactive workshops for general practitioners (GPs) and PTs in primary care covering the SAMBA model for integrated OA care, educational material, educational outreach visits, feedback, and reminder material. Outcomes will be measured at the patient, GP, and PT levels using self-report, semi-structured interviews, and register based data. The primary outcome measure is patient-reported quality of care (OsteoArthritis Quality Indicator questionnaire) at 6-month follow-up. Secondary outcomes include referrals to PT, imaging, and referrals to the orthopaedic surgeon as well as participants' treatment satisfaction, symptoms, physical activity level, body weight, and self-reported and measured lower limb function. The actual exposure to the tailor made implementation strategy and user experiences will be measured in a process evaluation. In the economic evaluation, the difference in costs of usual OA care and the SAMBA model for integrated OA care will be compared with the difference in health outcomes and reported by the incremental cost-effectiveness ratio (ICER). The results from the present study will add to the current knowledge on tailored strategies, which aims to improve the uptake of evidence-based OA care recommendations and improve the quality of OA care in primary health care. The new knowledge can be used in national and international initiatives designed to improve the quality of OA care. ClinicalTrials.gov NCT02333656.

Brain tumor segmentation with Vander Lugt correlator based active contour.

PubMed

Essadike, Abdelaziz; Ouabida, Elhoussaine; Bouzid, Abdenbi

2018-07-01

The manual segmentation of brain tumors from medical images is an error-prone, sensitive, and time-absorbing process. This paper presents an automatic and fast method of brain tumor segmentation. In the proposed method, a numerical simulation of the optical Vander Lugt correlator is used for automatically detecting the abnormal tissue region. The tumor filter, used in the simulated optical correlation, is tailored to all the brain tumor types and especially to the Glioblastoma, which considered to be the most aggressive cancer. The simulated optical correlation, computed between Magnetic Resonance Images (MRI) and this filter, estimates precisely and automatically the initial contour inside the tumorous tissue. Further, in the segmentation part, the detected initial contour is used to define an active contour model and presenting the problematic as an energy minimization problem. As a result, this initial contour assists the algorithm to evolve an active contour model towards the exact tumor boundaries. Equally important, for a comparison purposes, we considered different active contour models and investigated their impact on the performance of the segmentation task. Several images from BRATS database with tumors anywhere in images and having different sizes, contrast, and shape, are used to test the proposed system. Furthermore, several performance metrics are computed to present an aggregate overview of the proposed method advantages. The proposed method achieves a high accuracy in detecting the tumorous tissue by a parameter returned by the simulated optical correlation. In addition, the proposed method yields better performance compared to the active contour based methods with the averages of Sensitivity=0.9733, Dice coefficient = 0.9663, Hausdroff distance = 2.6540, Specificity = 0.9994, and faster with a computational time average of 0.4119 s per image. Results reported on BRATS database reveal that our proposed system improves over the recently published state-of-the-art methods in brain tumor detection and segmentation. Copyright © 2018 Elsevier B.V. All rights reserved.

Learner-Adaptive Educational Technology for Simulation in Healthcare: Foundations and Opportunities.

PubMed

Lineberry, Matthew; Dev, Parvati; Lane, H Chad; Talbot, Thomas B

2018-06-01

Despite evidence that learners vary greatly in their learning needs, practical constraints tend to favor ''one-size-fits-all'' educational approaches, in simulation-based education as elsewhere. Adaptive educational technologies - devices and/or software applications that capture and analyze relevant data about learners to select and present individually tailored learning stimuli - are a promising aid in learners' and educators' efforts to provide learning experiences that meet individual needs. In this article, we summarize and build upon the 2017 Society for Simulation in Healthcare Research Summit panel discussion on adaptive learning. First, we consider the role of adaptivity in learning broadly. We then outline the basic functions that adaptive learning technologies must implement and the unique affordances and challenges of technology-based approaches for those functions, sharing an illustrative example from healthcare simulation. Finally, we consider future directions for accelerating research, development, and deployment of effective adaptive educational technology and techniques in healthcare simulation.

Does stage tailoring matter in brief alcohol interventions for job-seekers? A randomized controlled trial.

PubMed

Freyer-Adam, Jennis; Baumann, Sophie; Schnuerer, Inga; Haberecht, Katja; Bischof, Gallus; John, Ulrich; Gaertner, Beate

2014-11-01

To investigate whether or not a stage tailored intervention is more effective than a non-stage tailored intervention of the same intensity in reducing alcohol use among job-seekers with unhealthy alcohol use, and whether initial motivation to change is a moderator of efficacy. A three-group randomized controlled trial with 3-, 6- and 15-month follow-ups. Three job agencies in Germany. A total of 1243 job-seekers with unhealthy alcohol use were randomized to (i) stage tailored intervention based on the transtheoretical model of change (ST), (ii) non-stage tailored intervention based on the theory of planned behaviour (NST) and (iii) assessment only (controls). Participants received feedback letters and manuals at baseline and 3 months later. Piecewise latent growth models were calculated measuring change in 'alcohol use' from baseline to month 3 (active intervention phase) and from months 3 to 15 (post-intervention phase, primary outcome). Motivation to change was included as a 4-point continuous measure. All groups reduced alcohol use from months 0 to 3 (controls: mean = -0.866, NST: mean = -0.883, ST: mean = -0.718, Ps ≤ 0.001). Post-intervention (months 3-15), low-motivated individuals in the ST group showed a greater reduction than those in the control group (β = 0.135, P = 0.039, Cohen's d = 0.42) and in the NST group (β = 0.180, P = 0.009, Cohen's d = 0.55). In contrast, compared to the ST group (β = 0.030, P = 0.361), alcohol use decreased more strongly with higher initial motivation in the NST group (β = -0.118, P = 0.010). Among job-seekers with high levels of alcohol consumption, an intervention tailored to motivational 'stage of change' was more effective than a non-stage tailored intervention for reducing alcohol use 15 months after baseline assessment in participants with low initial motivation to change. © 2014 Society for the Study of Addiction.

Investigation of Hardness Change for Spot Welded Tailored Blank in Hot Stamping Using CCT and Deformation-CCT Diagrams

NASA Astrophysics Data System (ADS)

Yogo, Yasuhiro; Kurato, Nozomi; Iwata, Noritoshi

2018-04-01

When an outer panel of a B-pillar is manufactured with the hot stamping process, reinforcements are spot welded on its inner side. Before reinforcements are added, the microstructure of the outer panel is martensite. However, reheating during spot welding changes the martensite to ferrite, which has a lower hardness in the heat-affected zone than in other areas. If spot welding is conducted before hot stamping for making a spot welded tailored blank, the microstructure in the spot welded tailored blank after hot stamping is martensite. This sequence of processes avoids hardness reduction due to spot welding. In this study, the hardness and microstructure around spot welded parts of the tailored blank were investigated. The results clearly showed that areas close to the spot welded parts are severely stretched during hot stamping. In addition, stretching suppresses the martensitic phase transformation and reduces the hardness. To characterize this phenomenon, a simulation was conducted that considered the effects of pre-strain on the phase transformation. A continuous cooling transformation (CCT) diagram and a deformation continuous cooling transformation (DCCT) diagram were made in order to quantify the effect of the cooling rate and pre-strain on the phase transformation and hardness. The hardness was then calculated using the experimentally measured CCT and DCCT diagrams and the finite element analysis results. The calculated hardness was compared with the experimental hardness. Good agreement was found between the calculated and experimental results.

Investigation of Hardness Change for Spot Welded Tailored Blank in Hot Stamping Using CCT and Deformation-CCT Diagrams

NASA Astrophysics Data System (ADS)

Yogo, Yasuhiro; Kurato, Nozomi; Iwata, Noritoshi

2018-06-01

When an outer panel of a B-pillar is manufactured with the hot stamping process, reinforcements are spot welded on its inner side. Before reinforcements are added, the microstructure of the outer panel is martensite. However, reheating during spot welding changes the martensite to ferrite, which has a lower hardness in the heat-affected zone than in other areas. If spot welding is conducted before hot stamping for making a spot welded tailored blank, the microstructure in the spot welded tailored blank after hot stamping is martensite. This sequence of processes avoids hardness reduction due to spot welding. In this study, the hardness and microstructure around spot welded parts of the tailored blank were investigated. The results clearly showed that areas close to the spot welded parts are severely stretched during hot stamping. In addition, stretching suppresses the martensitic phase transformation and reduces the hardness. To characterize this phenomenon, a simulation was conducted that considered the effects of pre-strain on the phase transformation. A continuous cooling transformation (CCT) diagram and a deformation continuous cooling transformation (DCCT) diagram were made in order to quantify the effect of the cooling rate and pre-strain on the phase transformation and hardness. The hardness was then calculated using the experimentally measured CCT and DCCT diagrams and the finite element analysis results. The calculated hardness was compared with the experimental hardness. Good agreement was found between the calculated and experimental results.

Bi-compartmental elderly or adult dynamic digestion models applied to interrogate protein digestibility.

PubMed

Levi, Carmit Shani; Lesmes, Uri

2014-10-01

The world's population is inevitably ageing thanks to modern progress; however, the development of food and oral formulations tailored to the needs of the elderly is still in its infancy. In vitro digestion models offer high throughput, robust and practically ethics free evaluation of the digestive fate of ingested products. To date, no data have been made publicly available to facilitate the development or application of an in vitro model mirroring the physicochemical conditions of the elderly gastrointestinal system. This study reports the development of a novel and highly bio-relevant in vitro model based on two serially connected bioreactors recreating the dynamic conditions of the adult or elderly alimentary canal. This report and its supplementary material describe in detail the set-up of the system, the applied physicochemical parameters and the development of the controlling software. These are intended to openly depict a versatile platform, which could assist future efforts to develop age-tailored oral formulations. SDS-PAGE analyses of samples collected from the in vitro digestion of β-lactoglobulin, α-lactalbumin and lactoferrin suggest the bioaccessibility of "slow digesting" and "fast digesting" proteins identified in adult models do not necessarily maintain this trait under elderly gastro-intestinal conditions. Overall, this study brings forward a new generic yet advanced model that could facilitate age-tailoring the digestive fate of liquid formulations.

NASA Agricultural Aircraft Research Program in the Langley Vortex Research Facility and the Langley Full Scale Wind Tunnel

NASA Technical Reports Server (NTRS)

Jordan, F. L., Jr.; Mclemore, H. C.; Bragg, M. B.

1978-01-01

The current status of aerial applications technology research at the Langley's Vortex Research Facility and Full-Scale Wind Tunnel is reviewed. Efforts have been directed mainly toward developing and validating the required experimental and theoretical research tools. A capability to simulate aerial dispersal of materials from agricultural airplanes with small-scale airplane models, numerical methods, and dynamically scaled test particles was demonstrated. Tests on wake modification concepts have proved the feasibility of tailoring wake properties aerodynamically to produce favorable changes in deposition and to provide drift control. An aerodynamic evaluation of the Thrush Commander 800 agricultural airplane with various dispersal systems installed is described. A number of modifications intended to provide system improvement to both airplane and dispersal system are examined, and a technique for documenting near-field spray characteristics is evaluated.

Dynamics and Hall-edge-state mixing of localized electrons in a two-channel Mach-Zehnder interferometer

NASA Astrophysics Data System (ADS)

Bellentani, Laura; Beggi, Andrea; Bordone, Paolo; Bertoni, Andrea

2018-05-01

We present a numerical study of a multichannel electronic Mach-Zehnder interferometer, based on magnetically driven noninteracting edge states. The electron path is defined by a full-scale potential landscape on the two-dimensional electron gas at filling factor 2, assuming initially only the first Landau level as filled. We tailor the two beamsplitters with 50 % interchannel mixing and measure Aharonov-Bohm oscillations in the transmission probability of the second channel. We perform time-dependent simulations by solving the electron Schrödinger equation through a parallel implementation of the split-step Fourier method, and we describe the charge-carrier wave function as a Gaussian wave packet of edge states. We finally develop a simplified theoretical model to explain the features observed in the transmission probability, and we propose possible strategies to optimize gate performances.

A highly attenuating and frequency tailorable annular hole phononic crystal for surface acoustic waves.

PubMed

Ash, B J; Worsfold, S R; Vukusic, P; Nash, G R

2017-08-02

Surface acoustic wave (SAW) devices are widely used for signal processing, sensing and increasingly for lab-on-a-chip applications. Phononic crystals can control the propagation of SAW, analogous to photonic crystals, enabling components such as waveguides and cavities. Here we present an approach for the realisation of robust, tailorable SAW phononic crystals, based on annular holes patterned in a SAW substrate. Using simulations and experiments, we show that this geometry supports local resonances which create highly attenuating phononic bandgaps at frequencies with negligible coupling of SAWs into other modes, even for relatively shallow features. The enormous bandgap attenuation is up to an order-of-magnitude larger than that achieved with a pillar phononic crystal of the same size, enabling effective phononic crystals to be made up of smaller numbers of elements. This work transforms the ability to exploit phononic crystals for developing novel SAW device concepts, mirroring contemporary progress in photonic crystals.The control and manipulation of propagating sound waves on a surface has applications in on-chip signal processing and sensing. Here, Ash et al. deviate from standard designs and fabricate frequency tailorable phononic crystals with an order-of-magnitude increase in attenuation.

Cognitive Training and Transcranial Direct Current Stimulation for Mild Cognitive Impairment in Parkinson's Disease: A Randomized Controlled Trial

PubMed Central

Gasson, Natalie; Johnson, Andrew R.; Booth, Leon; Loftus, Andrea M.

2018-01-01

This study examined whether standard cognitive training, tailored cognitive training, transcranial direct current stimulation (tDCS), standard cognitive training + tDCS, or tailored cognitive training + tDCS improved cognitive function and functional outcomes in participants with PD and mild cognitive impairment (PD-MCI). Forty-two participants with PD-MCI were randomized to one of six groups: (1) standard cognitive training, (2) tailored cognitive training, (3) tDCS, (4) standard cognitive training + tDCS, (5) tailored cognitive training + tDCS, or (6) a control group. Interventions lasted 4 weeks, with cognitive and functional outcomes measured at baseline, post-intervention, and follow-up. The trial was registered with the Australian New Zealand Clinical Trials Registry (ANZCTR: 12614001039673). While controlling for moderator variables, Generalized Linear Mixed Models (GLMMs) showed that when compared to the control group, the intervention groups demonstrated variable statistically significant improvements across executive function, attention/working memory, memory, language, activities of daily living (ADL), and quality of life (QOL; Hedge's g range = 0.01 to 1.75). More outcomes improved for the groups that received standard or tailored cognitive training combined with tDCS. Participants with PD-MCI receiving cognitive training (standard or tailored) or tDCS demonstrated significant improvements on cognitive and functional outcomes, and combining these interventions provided greater therapeutic effects. PMID:29780572

Communicating out loud: Midwifery students' experiences of a simulation exercise for neonatal resuscitation.

PubMed

Carolan-Olah, Mary; Kruger, Gina; Brown, Vera; Lawton, Felicity; Mazzarino, Melissa; Vasilevski, Vidanka

2018-03-01

Midwifery students feel unprepared to deal with commonly encountered emergencies, such as neonatal resuscitation. Clinical simulation of emergencies may provide a safe forum for students to develop necessary skills. A simulation exercise, for neonatal resuscitation, was developed and evaluated using qualitative methods. Pre and post-simulation questions focussed on student confidence and knowledge of resuscitation. Data were analysed using a thematic analysis approach. Pre-simulation questions revealed that most students considered themselves not very confident/unsure about their level of confidence in undertaking neonatal resuscitation. Most correctly identified features of the neonate requiring resuscitation. Post-simulation, students indicated that their confidence and knowledge of neonatal resuscitation had improved. Themes included: gaining confidence; understanding when to call for help; understanding the principles of resuscitation; tailoring simulation/education approaches to student needs. Students benefits included improved knowledge, confidence and skills. Participants unanimously suggested a program of simulation exercises, over a longer period of time, to reinforce knowledge and confidence gains. Ideally, students would like to actively participate in the simulation, rather than observe. Copyright © 2017. Published by Elsevier Ltd.

Introducing a laparoscopic simulation training and credentialing program in gynaecology: an observational study.

PubMed

Janssens, Sarah; Beckmann, Michael; Bonney, Donna

2015-08-01

Simulation training in laparoscopic surgery has been shown to improve surgical performance. To describe the implementation of a laparoscopic simulation training and credentialing program for gynaecology registrars. A pilot program consisting of protected, supervised laparoscopic simulation time, a tailored curriculum and a credentialing process, was developed and implemented. Quantitative measures assessing simulated surgical performance were measured over the simulation training period. Laparoscopic procedures requiring credentialing were assessed for both the frequency of a registrar being the primary operator and the duration of surgery and compared to a presimulation cohort. Qualitative measures regarding quality of surgical training were assessed pre- and postsimulation. Improvements were seen in simulated surgical performance in efficiency domains. Operative time for procedures requiring credentialing was reduced by 12%. Primary operator status in the operating theatre for registrars was unchanged. Registrar assessment of training quality improved. The introduction of a laparoscopic simulation training and credentialing program resulted in improvements in simulated performance, reduced operative time and improved registrar assessment of the quality of training. © 2015 The Royal Australian and New Zealand College of Obstetricians and Gynaecologists.

Sidelobe suppression in all-fiber acousto-optic tunable filter using torsional acoustic wave.

PubMed

Lee, Kwang Jo; Hwang, In-Kag; Park, Hyun Chul; Kim, Byoung Yoon

2010-06-07

We propose two techniques to suppress intrinsic sidelobe spectra in all-fiber acousto-optic tunable filter using torsional acoustic wave. The techniques are based on either double-pass filter configuration or axial tailoring of mode coupling strength along an acousto-optic interaction region in a highly birefringent optical fiber. The sidelobe peak in the filter spectrum is experimentally suppressed from -8.3 dB to -16.4 dB by employing double-pass configuration. Axial modulation of acousto-optic coupling strength is proposed using axial variation of the fiber diameter, and the simulation results show that the maximum side peak of -9.3 dB can be reduced to -22.2dB. We also discuss the possibility of further spectral shaping of the filter based on the axial tailoring of acousto-optic coupling strength.

Tailoring plasmonic properties of nanobeam composites by the sliding disorder

NASA Astrophysics Data System (ADS)

Gric, Tatjana; Hess, Ortwin

2017-11-01

Nanobeam composites are important for designing sensing, nonlinear, and emission functionalities. Here, we describe a method for tuning the plasmonic properties of a silver nanobeam-based metamaterial. Such metamaterials open the wide avenues for a variety of applications in the fields of bio- and chemical sensing, nonlinearity enhancement, and fluorescence control. Specifically, we present the boundary between two nanobeam composites stacked together and exhibiting the sliding disorder. The modes are tunable. We simulated the solutions of surface plasmon polaritons (SPP) modes and their propagations. The configuration proposed here makes a breakthrough of the conventional configuration allowing for optimizations of SPP properties and making SPP application more flexible in practices. The wide plasmonic tuning range of nanobeam composites makes them promising in metamaterial-based optoelectronic devices. The plasma frequency is found to be tailored by the sliding disorder.

Self-assembled nanolaminate coatings (SV)

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

Fan, H.

2012-03-01

Sandia National Laboratories (Sandia) and Lockheed Martin Aeronautics (LM Aero) are collaborating to develop affordable, self-assembled, nanocomposite coatings and associated fabrication processes that will be tailored to Lockheed Martin product requirements. The purpose of this project is to develop a family of self-assembled coatings with properties tailored to specific performance requirements, such as antireflective (AR) optics, using Sandia-developed self-assembled techniques. The project met its objectives by development of a simple and economic self-assembly processes to fabricate multifunctional coatings. Specifically, materials, functionalization methods, and associated coating processes for single layer and multiple layers coatings have been developed to accomplish high reflectivemore » coatings, hydrophobic coatings, and anti-reflective coatings. Associated modeling and simulations have been developed to guide the coating designs for optimum optical performance. The accomplishments result in significant advantages of reduced costs, increased manufacturing freedom/producibility, improved logistics, and the incorporation of new technology solutions not possible with conventional technologies. These self-assembled coatings with tailored properties will significantly address LMC's needs and give LMC a significant competitive lead in new engineered materials. This work complements SNL's LDRD and BES programs aimed at developing multifunctional nanomaterials for microelectronics and optics as well as structure/property investigations of self-assembled nanomaterials. In addition, this project will provide SNL with new opportunities to develop and apply self-assembled nanocomposite optical coatings for use in the wavelength ranges of 3-5 and 8-12 micrometers, ranges of vital importance to military-based sensors and weapons. The SANC technologies will be applied to multiple programs within the LM Company including the F-35, F-22, ADP (Future Strike Bomber, UAV, UCAV, etc.). The SANC technologies will establish LMA and related US manufacturing capability for commercial and military applications therefore reducing reliance on off-shore development and production of related critical technologies. If these technologies are successfully licensed, production of these coatings in manufactory will create significant technical employment opportunities.« less

Optimization of current waveform tailoring for magnetically driven isentropic compression experiments

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

Waisman, E. M.; Reisman, D. B.; Stoltzfus, B. S.

2016-06-15

The Thor pulsed power generator is being developed at Sandia National Laboratories. The design consists of up to 288 decoupled and transit time isolated capacitor-switch units, called “bricks,” that can be individually triggered to achieve a high degree of pulse tailoring for magnetically driven isentropic compression experiments (ICE) [D. B. Reisman et al., Phys. Rev. Spec. Top.–Accel. Beams 18, 090401 (2015)]. The connecting transmission lines are impedance matched to the bricks, allowing the capacitor energy to be efficiently delivered to an ICE strip-line load with peak pressures of over 100 GPa. Thor will drive experiments to explore equation of state,more » material strength, and phase transition properties of a wide variety of materials. We present an optimization process for producing tailored current pulses, a requirement for many material studies, on the Thor generator. This technique, which is unique to the novel “current-adder” architecture used by Thor, entirely avoids the iterative use of complex circuit models to converge to the desired electrical pulse. We begin with magnetohydrodynamic simulations for a given material to determine its time dependent pressure and thus the desired strip-line load current and voltage. Because the bricks are connected to a central power flow section through transit-time isolated coaxial cables of constant impedance, the brick forward-going pulses are independent of each other. We observe that the desired equivalent forward-going current driving the pulse must be equal to the sum of the individual brick forward-going currents. We find a set of optimal brick delay times by requiring that the L{sub 2} norm of the difference between the brick-sum current and the desired forward-going current be a minimum. We describe the optimization procedure for the Thor design and show results for various materials of interest.« less

Structural Tailoring of Advanced Turboprops (STAT). Theoretical manual

NASA Technical Reports Server (NTRS)

Brown, K. W.

1992-01-01

This manual describes the theories in the Structural Tailoring of Advanced Turboprops (STAT) computer program, which was developed to perform numerical optimizations on highly swept propfan blades. The optimization procedure seeks to minimize an objective function, defined as either direct operating cost or aeroelastic differences between a blade and its scaled model, by tuning internal and external geometry variables that must satisfy realistic blade design constraints. The STAT analyses include an aerodynamic efficiency evaluation, a finite element stress and vibration analysis, an acoustic analysis, a flutter analysis, and a once-per-revolution (1-p) forced response life prediction capability. The STAT constraints include blade stresses, blade resonances, flutter, tip displacements, and a 1-P forced response life fraction. The STAT variables include all blade internal and external geometry parameters needed to define a composite material blade. The STAT objective function is dependent upon a blade baseline definition which the user supplies to describe a current blade design for cost optimization or for the tailoring of an aeroelastic scale model.

Structural Tailoring of Advanced Turboprops (STAT). Theoretical manual

NASA Astrophysics Data System (ADS)

Brown, K. W.

1992-10-01

This manual describes the theories in the Structural Tailoring of Advanced Turboprops (STAT) computer program, which was developed to perform numerical optimizations on highly swept propfan blades. The optimization procedure seeks to minimize an objective function, defined as either direct operating cost or aeroelastic differences between a blade and its scaled model, by tuning internal and external geometry variables that must satisfy realistic blade design constraints. The STAT analyses include an aerodynamic efficiency evaluation, a finite element stress and vibration analysis, an acoustic analysis, a flutter analysis, and a once-per-revolution (1-p) forced response life prediction capability. The STAT constraints include blade stresses, blade resonances, flutter, tip displacements, and a 1-P forced response life fraction. The STAT variables include all blade internal and external geometry parameters needed to define a composite material blade. The STAT objective function is dependent upon a blade baseline definition which the user supplies to describe a current blade design for cost optimization or for the tailoring of an aeroelastic scale model.

Creep-induced anisotropy in covalent adaptable network polymers.

PubMed

Hanzon, Drew W; He, Xu; Yang, Hua; Shi, Qian; Yu, Kai

2017-10-11

Anisotropic polymers with aligned macromolecule chains exhibit directional strengthening of mechanical and physical properties. However, manipulating the orientation of polymer chains in a fully cured thermoset is almost impossible due to its permanently crosslinked nature. In this paper, we demonstrate that rearrangeable networks with bond exchange reactions (BERs) can be utilized to tailor the anisotropic mechanical properties of thermosetting polymers. When a constant force is maintained at BER activated temperatures, the malleable thermoset creeps in the direction of stress, and macromolecule chains align themselves in the same direction. The aligned polymer chains result in an anisotropic network with a stiffer mechanical behavior in the direction of creep, while with a more compliant behavior in the transverse direction. The degree of network anisotropy is proportional to the amount of creep strain. A multi-length scale constitutive model is developed to study the creep-induced anisotropy of thermosetting polymers. The model connects the micro-scale BER kinetics, orientation of polymer chains, and directional mechanical properties of network polymers. Without any fitting parameters, it is able to predict the evolution of creep strain at different temperatures and anisotropic stress-strain behaviors of CANs after creep. Predictions on the chain orientation are verified by molecular dynamics (MD) simulation. Based on parametric studies, it is shown that the influences of creep time and temperature on the network anisotropy can be generalized into a single parameter, and the evolution of directional modulus follows an Arrhenius type time-temperature superposition principle (TTSP). The presented work provides a facile approach to transform isotropic thermosets into anisotropic ones using simple heating, and their directional properties can be readily tailored by the processing conditions.

A Framework of Operating Models for Interdisciplinary Research Programs in Clinical Service Organizations

ERIC Educational Resources Information Center

King, Gillian; Currie, Melissa; Smith, Linda; Servais, Michelle; McDougall, Janette

2008-01-01

A framework of operating models for interdisciplinary research programs in clinical service organizations is presented, consisting of a "clinician-researcher" skill development model, a program evaluation model, a researcher-led knowledge generation model, and a knowledge conduit model. Together, these models comprise a tailored, collaborative…

Development of Integrated Magnetic and Kinetic Control-oriented Transport Model for q-profile Response Prediction in EAST Discharges

NASA Astrophysics Data System (ADS)

Wang, Hexiang; Schuster, Eugenio; Rafiq, Tariq; Kritz, Arnold; Ding, Siye

2016-10-01

Extensive research has been conducted to find high-performance operating scenarios characterized by high fusion gain, good confinement, plasma stability and possible steady-state operation. A key plasma property that is related to both the stability and performance of these advanced plasma scenarios is the safety factor profile. A key component of the EAST research program is the exploration of non-inductively driven steady-state plasmas with the recently upgraded heating and current drive capabilities that include lower hybrid current drive and neutral beam injection. Anticipating the need for tight regulation of the safety factor profile in these plasma scenarios, a first-principles-driven (FPD)control-oriented model is proposed to describe the safety factor profile evolution in EAST in response to the different actuators. The TRANSP simulation code is employed to tailor the FPD model to the EAST tokamak geometry and to convert it into a form suitable for control design. The FPD control-oriented model's prediction capabilities are demonstrated by comparing predictions with experimental data from EAST. Supported by the US DOE under DE-SC0010537,DE-FG02-92ER54141 and DE-SC0013977.

Self-Assembly of DNA-Coated Particles: Experiment, Simulation and Theory

NASA Astrophysics Data System (ADS)

Song, Minseok

The bottom-up assembly of material architectures with tunable complexity, function, composition, and structure is a long sought goal in rational materials design. One promising approach aims to harnesses the programmability and specificity of DNA hybridization in order to direct the assembly of oligonucleotide-functionalized nano- and micro-particles by tailoring, in part, interparticle interactions. DNA-programmable assembly into three-dimensionally ordered structures has attracted extensive research interest owing to emergent applications in photonics, plasmonics and catalysis and potentially many other areas. Progress on the rational design of DNA-mediated interactions to create useful two-dimensional structures (e.g., structured films), on the other hand, has been rather slow. In this thesis, we establish strategies to engineer a diversity of 2D crystalline arrangements by designing and exploiting DNA-programmable interparticle interactions. We employ a combination of simulation, theory and experiments to predict and confirm accessibility of 2D structural diversity in an effort to establish a rational approach to 2D DNA-mediated particle assembly. We start with the experimental realization of 2D DNA-mediated assembly by decorating micron-sized silica particles with covalently attached single-stranded DNA through a two-step reaction. Subsequently, we elucidate sensitivity and ultimate controllability of DNA-mediated assembly---specifically the melting transition from dispersed singlet particles to aggregated or assembled structures---through control of the concentration of commonly employed nonionic surfactants. We relate the observed tunability to an apparent coupling with the critical micelle temperature in these systems. Also, both square and hexagonal 2D ordered particle arrangements are shown to evolve from disordered aggregates under appropriate annealing conditions defined based upon pre-established melting profiles. Subsequently, the controlled mixing of complementary ssDNA functionality on individual particles ('multi-flavoring') as opposed to functionalization of particles with the same type of ssDNA ('uni-flavoring') is explored as a possible design handle for tuning interparticle interactions and, thereby, accessing diverse structures. We employ a combination of simulations, theory, and experimental validation toward establishing 'multi-flavoring' as a rational design strategy. Firstly, MD simulations are carried out using effective pair potentials to describe interparticle interactions that are representative of different degrees of ssDNA 'multi-flavoring'. These simulations reveal the template-free assembly of a diversity of 2D crystal polymorphs that is apparently tunable by controlling the relative attractive strengths between like and unlike functionalized particles. The resulting phase diagrams predict conditions (i.e., strengths of relative interparticle interactions) for obtaining crystalline phases with lattice symmetries ranging among square, alternating string hexagonal, random hexagonal, rhombic, honeycomb, and even kagome. Finally, these model findings are translated to experiments, in which binary microparticles are decorated with a tailored mixture of two different complementary ssDNA strands as a straight-forward means to realize tunable particle interactions. Guided by simple statistical mechanics and the detailed MD simulations, 'multi-flavoring' and control of solution phase particle stoichiometry resulted in experimental realization of structurally diverse 2D microparticle assemblies consistent with predictions, such as square, pentagonal and hexagonal lattices (honeycomb, kagome). The combined simulation, theory, and experimental findings reveal how control of interparticle interactions via DNA-functionalized particle "multi-flavoring" can lead to an even wider range of accessible colloidal crystal structures. The 2D experiments coupled with the model predictions may be used to provide new fundamental insight into nano- or microparticle assembly in three dimensions.

MR-based measurements and simulations of the magnetic field created by a realistic transcranial magnetic stimulation (TMS) coil and stimulator.

PubMed

Mandija, Stefano; Petrov, Petar I; Neggers, Sebastian F W; Luijten, Peter R; van den Berg, Cornelis A T

2016-11-01

Transcranial magnetic stimulation (TMS) is an emerging technique that allows non-invasive neurostimulation. However, the correct validation of electromagnetic models of typical TMS coils and the correct assessment of the incident TMS field (B TMS ) produced by standard TMS stimulators are still lacking. Such a validation can be performed by mapping B TMS produced by a realistic TMS setup. In this study, we show that MRI can provide precise quantification of the magnetic field produced by a realistic TMS coil and a clinically used TMS stimulator in the region in which neurostimulation occurs. Measurements of the phase accumulation created by TMS pulses applied during a tailored MR sequence were performed in a phantom. Dedicated hardware was developed to synchronize a typical, clinically used, TMS setup with a 3-T MR scanner. For comparison purposes, electromagnetic simulations of B TMS were performed. MR-based measurements allow the mapping and quantification of B TMS starting 2.5 cm from the TMS coil. For closer regions, the intra-voxel dephasing induced by B TMS prohibits TMS field measurements. For 1% TMS output, the maximum measured value was ~0.1 mT. Simulations reflect quantitatively the experimental data. These measurements can be used to validate electromagnetic models of TMS coils, to guide TMS coil positioning, and for dosimetry and quality assessment of concurrent TMS-MRI studies without the need for crude methods, such as motor threshold, for stimulation dose determination. Copyright © 2016 John Wiley & Sons, Ltd.

Traction-separation laws and stick-slip shear phenomenon of interfaces between cellulose nanocrystals

NASA Astrophysics Data System (ADS)

Sinko, Robert; Keten, Sinan

2015-05-01

Cellulose nanocrystals (CNCs) are one of nature's most abundant structural material building blocks and possess outstanding mechanical properties including a tensile modulus comparable to Kevlar. It remains challenging to upscale these properties in CNC neat films and nanocomposites due to the difficulty of characterizing interfacial bonding between CNCs that governs stress transfer under deformation. Here we present new analyses based on atomistic simulations of shear and tensile failure of the interfaces between Iβ CNCs, providing new insight into factors governing the mechanical behavior of hierarchical nanocellulose materials. We compare the two most relevant crystal interfaces and find that hydrogen bonded surfaces have greater tensile strength compared to the surfaces governed by weaker interactions. On the contrary, shearing simulations reveal that friction between the atomic interfaces depends not only on surface energy but also the energy landscape along the shear direction. While being a weaker interface, the intersheet plane exhibits greater energy barriers to shear. The molecular roughness of this interface, characterized by a greater energy barrier, exhibits stick-slip deformation behavior as opposed to a more continuous sliding and rebonding mechanism observed for the interfaces with hydrogen bonds. Analytical models to describe the energy landscapes are developed using energy scaling relations for van der Waals surfaces in combination with a modification of the Prandtl-Tomlinson model for atomic friction. Our simulations pave the way for tailoring hierarchical CNC materials by taking a similar approach to techniques employed for describing metals, where mechanical properties can be tuned through a deeper understanding of grain boundary physics and nanoscale interfaces.

Cart3D Analysis of Plume and Shock Interaction Effects on Sonic Boom

NASA Technical Reports Server (NTRS)

Castner, Raymond

2015-01-01

A plume and shock interaction study was developed to collect data and perform CFD on a configuration where a nozzle plume passed through the shock generated from the wing or tail of a supersonic vehicle. The wing or tail was simulated with a wedge-shaped shock generator. Three configurations were analyzed consisting of two strut mounted wedges and one propulsion pod with an aft deck from a low boom vehicle concept. Research efforts at NASA were intended to enable future supersonic flight over land in the United States. Two of these efforts provided data for regulatory change and enabled design of low boom aircraft. Research has determined that sonic boom is a function of aircraft lift and volume distribution. Through careful tailoring of these variables, the sonic boom of concept vehicles has been reduced. One aspect of vehicle tailoring involved how the aircraft engine exhaust interacted with aft surfaces on a supersonic aircraft, such as the tail and wing trailing edges. In this work, results from Euler CFD simulations are compared to experimental data collected on sub-scale components in a wind tunnel. Three configurations are studied to simulate the nozzle plume interaction with representative wing and tail surfaces. Results demonstrate how the plume and tail shock structure moves with increasing nozzle pressure ratio. The CFD captures the main features of the plume and shock interaction. Differences are observed in the plume and deck shock structure that warrant further research and investigation.

Use of an innovative video feedback technique to enhance communication skills training.

PubMed

Roter, Debra L; Larson, Susan; Shinitzky, Harold; Chernoff, Robin; Serwint, Janet R; Adamo, Graceanne; Wissow, Larry

2004-02-01

Despite growing interest in medical communication by certification bodies, significant methodological and logistic challenges are evident in experiential methods of instruction. There were three study objectives: 1) to explore the acceptability of an innovative video feedback programme to residents and faculty; 2) to evaluate a brief teaching intervention comprising the video feedback innovation when linked to a one-hour didactic and role-play teaching session on paediatric residents' communication with a simulated patient; and 3) to explore the impact of resident gender on communication change. Pre/post comparison of residents' performance in videotaped interviews with simulated patients before and after the teaching intervention. Individually tailored feedback on targeted communication skills was facilitated by embedding the Roter Interaction Analysis System (RIAS) within a software platform that presents a fully coded interview with instant search and review features. 28 first year residents in a large, urban, paediatric residency programme. Communication changes following the teaching intervention were demonstrated through significant improvements in residents' performance with simulated patients pre and post teaching and feedback. Using paired t-tests, differences include: reduced verbal dominance; increased use of open-ended questions; increased use of empathy; and increased partnership building and problem solving for therapeutic regimen adherence. Female residents demonstrated greater communication change than males. The RIAS embedded CD-ROM provides a flexible structure for individually tailoring feedback of targeted communication skills that is effective in facilitating communication change as part of a very brief teaching intervention.

Internet of Things: a possible change in the distributed modeling and simulation architecture paradigm

NASA Astrophysics Data System (ADS)

Riecken, Mark; Lessmann, Kurt; Schillero, David

2016-05-01

The Data Distribution Service (DDS) was started by the Object Management Group (OMG) in 2004. Currently, DDS is one of the contenders to support the Internet of Things (IoT) and the Industrial IOT (IIoT). DDS has also been used as a distributed simulation architecture. Given the anticipated proliferation of IoT and II devices, along with the explosive growth of sensor technology, can we expect this to have an impact on the broader community of distributed simulation? If it does, what is the impact and which distributed simulation domains will be most affected? DDS shares many of the same goals and characteristics of distributed simulation such as the need to support scale and an emphasis on Quality of Service (QoS) that can be tailored to meet the end user's needs. In addition, DDS has some built-in features such as security that are not present in traditional distributed simulation protocols. If the IoT and II realize their potential application, we predict a large base of technology to be built around this distributed data paradigm, much of which could be directly beneficial to the distributed M&S community. In this paper we compare some of the perceived gaps and shortfalls of current distributed M&S technology to the emerging capabilities of DDS built around the IoT. Although some trial work has been conducted in this area, we propose a more focused examination of the potential of these new technologies and their applicability to current and future problems in distributed M&S. The Internet of Things (IoT) and its data communications mechanisms such as the Data Distribution System (DDS) share properties in common with distributed modeling and simulation (M&S) and its protocols such as the High Level Architecture (HLA) and the Test and Training Enabling Architecture (TENA). This paper proposes a framework based on the sensor use case for how the two communities of practice (CoP) can benefit from one another and achieve greater capability in practical distributed computing.

Innovative video tailoring for dietary change: final results of the Good for you! cluster randomized trial.

PubMed

Gans, Kim M; Risica, Patricia Markham; Dulin-Keita, Akilah; Mello, Jennifer; Dawood, Mahin; Strolla, Leslie O; Harel, Ofer

2015-10-07

Effective, low-cost approaches are needed to enhance dietary behavior change. While both video and tailoring technology have been effective interventions to improve diet, these approaches have never been combined to study the effectiveness of tailored videos. The purpose of this paper is to discuss the results of Good For You!, a randomized trial that tested the efficacy of innovative, individually tailored videos in helping worksite employees decrease dietary fat and increase fruit and vegetable (F&V) intake. Worksites were matched on approximate size, type of company and workforce composition and randomized to one of three experimental conditions: Non-Tailored written information (NT) (n = 14), Tailored Written information (TW) (n = 14), or Tailored Written + Tailored Video (TW + TV) (n = 15). Evaluation was conducted at baseline, 4 and 7 months. We used the NCI Fat Screener and an adapted Food Habits Questionnaire (FHQ) to estimate fat intake and fat-related behaviors, the NCI F&V Screener and F&V Habits Questionnaire (FVHQ) to measure F&V intake and behaviors. Generalized linear models were examined for all outcome measurements. 2525 worksite employees were recruited. At 4 months, dietary fat intake decreased significantly more for TW (-2.95 %) and TW + TV (-3.14%) compared with NT (-2.42%). FHQ scores decreased significantly more for TW + TV than the other two groups. Fruit intake increased the most for TW + TV compared to NT and TW. Both TW (1.30 cups) and TW + TV (1.59 cups) increased F&V intake significantly more than NT (0.78 cups). TW + TV showed the largest increase in F&V behaviors on the FVFQ. At 8 months, dietary fat change continued to be significantly better for TW + TV (-3.48%) than NT (3.01%). F&V intake increased significantly more for the TW + TV group (1.38 cups) compared to the NT group (1.04 cups) and FVHQ changes were significantly greater in TW + TV and TW than for NT. The tailored intervention participants were more likely to decrease fat and increase F&V intake. The TW + TV group was generally the stronger of the two tailored interventions, especially at the longer term follow-up, demonstrating the promise of tailored video as an intervention to change eating habits. Future studies should explore newer channels and technologies in addition to DVDs for delivering tailored video interventions such as the internet and smart phones. ClinicalTrials.gov identifier: NCT00301678.

Operational Planning of Channel Airlift Missions Using Forecasted Demand

DTIC Science & Technology

2013-03-01

tailored to the specific problem ( Metaheuristics , 2005). As seen in the section Cargo Loading Algorithm , heuristic methods are often iterative...that are equivalent to the forecasted cargo amount. The simulated pallets are then used in a heuristic cargo loading algorithm . The loading... algorithm places cargo onto available aircraft (based on real schedules) given the date and the destination and outputs statistics based on the aircraft ton

Designing Interactive Multimedia Instruction to Address Soldiers’ Learning Needs

DTIC Science & Technology

2014-12-01

A point of need design seeks to identify and meet specific learning needs. It does so by focusing on the learning needs of an identified group ...instructional design and tailored training techniques to address the Army Learning Model (ALM) point of need concept. The point of need concept focuses both on ...developing six IMI exemplars focused on point of need training, including three variations of needs-focused designs : familiarization, core, and tailored

Towards collaborative filtering recommender systems for tailored health communications.

PubMed

Marlin, Benjamin M; Adams, Roy J; Sadasivam, Rajani; Houston, Thomas K

2013-01-01

The goal of computer tailored health communications (CTHC) is to promote healthy behaviors by sending messages tailored to individual patients. Current CTHC systems collect baseline patient "profiles" and then use expert-written, rule-based systems to target messages to subsets of patients. Our main interest in this work is the study of collaborative filtering-based CTHC systems that can learn to tailor future message selections to individual patients based explicit feedback about past message selections. This paper reports the results of a study designed to collect explicit feedback (ratings) regarding four aspects of messages from 100 subjects in the smoking cessation support domain. Our results show that most users have positive opinions of most messages and that the ratings for all four aspects of the messages are highly correlated with each other. Finally, we conduct a range of rating prediction experiments comparing several different model variations. Our results show that predicting future ratings based on each user's past ratings contributes the most to predictive accuracy.

Towards Collaborative Filtering Recommender Systems for Tailored Health Communications

PubMed Central

Marlin, Benjamin M.; Adams, Roy J.; Sadasivam, Rajani; Houston, Thomas K.

2013-01-01

The goal of computer tailored health communications (CTHC) is to promote healthy behaviors by sending messages tailored to individual patients. Current CTHC systems collect baseline patient “profiles” and then use expert-written, rule-based systems to target messages to subsets of patients. Our main interest in this work is the study of collaborative filtering-based CTHC systems that can learn to tailor future message selections to individual patients based explicit feedback about past message selections. This paper reports the results of a study designed to collect explicit feedback (ratings) regarding four aspects of messages from 100 subjects in the smoking cessation support domain. Our results show that most users have positive opinions of most messages and that the ratings for all four aspects of the messages are highly correlated with each other. Finally, we conduct a range of rating prediction experiments comparing several different model variations. Our results show that predicting future ratings based on each user’s past ratings contributes the most to predictive accuracy. PMID:24551430

Spatially-Distributed Stream Flow and Nutrient Dynamics Simulations Using the Component-Based AgroEcoSystem-Watershed (AgES-W) Model

NASA Astrophysics Data System (ADS)

Ascough, J. C.; David, O.; Heathman, G. C.; Smith, D. R.; Green, T. R.; Krause, P.; Kipka, H.; Fink, M.

2010-12-01

The Object Modeling System 3 (OMS3), currently being developed by the USDA-ARS Agricultural Systems Research Unit and Colorado State University (Fort Collins, CO), provides a component-based environmental modeling framework which allows the implementation of single- or multi-process modules that can be developed and applied as custom-tailored model configurations. OMS3 as a “lightweight” modeling framework contains four primary foundations: modeling resources (e.g., components) annotated with modeling metadata; domain specific knowledge bases and ontologies; tools for calibration, sensitivity analysis, and model optimization; and methods for model integration and performance scalability. The core is able to manage modeling resources and development tools for model and simulation creation, execution, evaluation, and documentation. OMS3 is based on the Java platform but is highly interoperable with C, C++, and FORTRAN on all major operating systems and architectures. The ARS Conservation Effects Assessment Project (CEAP) Watershed Assessment Study (WAS) Project Plan provides detailed descriptions of ongoing research studies at 14 benchmark watersheds in the United States. In order to satisfy the requirements of CEAP WAS Objective 5 (“develop and verify regional watershed models that quantify environmental outcomes of conservation practices in major agricultural regions”), a new watershed model development approach was initiated to take advantage of OMS3 modeling framework capabilities. Specific objectives of this study were to: 1) disaggregate and refactor various agroecosystem models (e.g., J2K-S, SWAT, WEPP) and implement hydrological, N dynamics, and crop growth science components under OMS3, 2) assemble a new modular watershed scale model for fully-distributed transfer of water and N loading between land units and stream channels, and 3) evaluate the accuracy and applicability of the modular watershed model for estimating stream flow and N dynamics. The Cedar Creek watershed (CCW) in northeastern Indiana, USA was selected for application of the OMS3-based AgroEcoSystem-Watershed (AgES-W) model. AgES-W performance for stream flow and N loading was assessed using Nash-Sutcliffe model efficiency (ENS) and percent bias (PBIAS) model evaluation statistics. Comparisons of daily and average monthly simulated and observed stream flow and N loads for the 1997-2005 simulation period resulted in PBIAS and ENS values that were similar or better than those reported in the literature for SWAT stream flow and N loading predictions at a similar scale. The results show that the AgES-W model was able to reproduce the hydrological and N dynamics of the CCW with sufficient quality, and should serve as a foundation upon which to better quantify additional water quality indicators (e.g., sediment transport and P dynamics) at the watershed scale.

No evidence for sperm priming responses under varying sperm competition risk or intensity in guppies

NASA Astrophysics Data System (ADS)

Evans, Jonathan P.

2009-07-01

Sperm competition theory predicts that males should tailor their investment in ejaculates according to the number of rival males competing to fertilize a female’s eggs. Research spanning several taxa supports this prediction by showing that males are often sensitive to the level of sperm competition and adjust their investment in sperm numbers accordingly. More recent work has revealed that males may also tailor the quality of sperm according to the number of males competing for fertilization. Here I test for both effects in guppies ( Poecilia reticulata) in an experiment that simultaneously evaluates the risk and intensity models of sperm competition. The experiment determined whether male guppies adjust the number (stripped ejaculate size) and quality (sperm velocity and viability) of sperm that are primed over a 3-day period according to experimental changes in the perceived level of sperm competition. A total of 136 focal males were initially stripped of all retrievable sperm and assayed for these sperm traits before being allocated at random to one of four treatments simulating different levels of sperm competition risk and intensity. During the 3-day treatment phase, focal males had visual and olfactory access to a sexually receptive (initially virgin) female maintained with different numbers of stimulus males to simulate variation in the risk and intensity of sperm competition. Following this, males were assayed again for the sperm traits. Contrary to predictions, there was no significant change in any of the measured variables among treatments, although qualitatively the patterns for sperm velocity and viability did conform to expectation. The lack of any trend for the number of sperm primed was unequivocal and future work examining the effects of sperm competition on sperm production should focus on whether males differentially allocate sperm numbers among matings that differ in the level of sperm competition.

Wholly Patient-tailored Ablation of Atrial Fibrillation Guided by Spatio-Temporal Dispersion of Electrograms in the Absence of Pulmonary Veins Isolation

PubMed Central

Seitz, Julien; Bars, Clément; Théodore, Guillaume; Beurtheret, Sylvain; Lellouche, Nicolas; Bremondy, Michel; Ferracci, Ange; Faure, Jacques; Penaranda, Guillaume; Yamazaki, Masatoshi; Avula, Uma Mahesh R.; Curel, Laurence; Siame, Sabrina; Berenfeld, Omer; Pisapia, André; Kalifa, Jérôme

2017-01-01

Background The use of intra-cardiac electrograms to guide atrial fibrillation (AF) ablation has yielded conflicting results. We evaluated an electrogram marker of AF drivers: the clustering of electrograms exhibiting spatio-temporal dispersion — regardless of whether such electrograms were fractionated or not. Objective To evaluate the usefulness of spatio-temporal dispersion, a visually recognizable electric footprint of AF drivers, for the ablation of all forms of AF. Methods We prospectively enrolled 105 patients admitted for AF ablation. AF was sequentially mapped in both atria with a 20-pole PentaRay catheter. We tagged and ablated only regions displaying electrogram dispersion during AF. Results were compared to a validation set in which a conventional ablation approach was used (pulmonary vein isolation/stepwise approach). To establish the mechanism underlying spatio-temporal dispersion of AF electrograms, we conducted realistic numerical simulations of AF drivers in a 2-dimensional model and optical mapping of ovine atrial scar-related AF. Results Ablation at dispersion areas terminated AF in 95%. After ablation of 17±10% of the left atrial surface and 18 months of follow-up, the atrial arrhythmia recurrence rate was 15% after 1.4±0.5 procedure/patient vs 41% in the validation set after 1.5±0.5 procedure/patient (arrhythmia free-survival rates: 85% vs 59%, log rank P<0.001). In comparison with the validation set, radiofrequency times (49 ± 21 minutes vs 85 ± 34.5 minutes, p=0.001) and procedure times (168 ± 42 minutes vs. 230 ± 67 minutes, p<.0001) were shorter. In simulations and optical mapping experiments, virtual PentaRay recordings demonstrated that electrogram dispersion is mostly recorded in the vicinity of a driver. Conclusions The clustering of intra-cardiac electrograms exhibiting spatio-temporal dispersion is indicative of AF drivers. Their ablation allows for a non-extensive and patient-tailored approach to AF ablation. Clinical trial.gov number: NCT02093949 PMID:28104073

A clear trade-off exists between the theoretical efficiency and acceptability of dietary changes that improve nutrient adequacy during early pregnancy in French women: Combined data from simulated changes modeling and online assessment survey.

PubMed

Bianchi, Clélia M; Huneau, Jean-François; Barbillon, Pierre; Lluch, Anne; Egnell, Manon; Fouillet, Hélène; Verger, Eric O; Mariotti, François

2018-01-01

During pregnancy, the diet of a mother-to-be should be adapted to meet increases in nutrient requirements. We analyzed the theoretical efficiency and acceptability of different types of tailored dietary changes for pregnant women. The nutrient adequacy of the diet was evaluated using the PANDiet score, by comparing the nutrient intakes of 344 non-pregnant premenopausal women (18-44y) with dietary reference intakes for the first trimester of pregnancy. Simulations were performed to evaluate the theoretical efficiency of three types of ten successive tailored dietary changes in improving nutrient adequacy, with graded difficulty in implementation. The acceptability (declared intention to use in the diet) of most efficient dietary changes was evaluated during an online randomized study including 115 French pregnant women (22-41y). Modifying the amount consumed of foods (type-1) did not modify the food repertoire and resulted in the smallest theoretical efficiency (increase in the PANDiet score of 9.8±0.2 points), but changes were the most acceptable (probability of the intention to use: 0.30-0.78). Conversely, replacing food items by items from the same group or eaten at the same time (type-3) broadened the food repertoire (3.6±1.3 food subgroups added) and resulted in the greatest theoretical efficiency (+23.9±0.3) but changes were the least acceptable (0.07-0.23). Replacing food items within the same subgroup (type-2) slightly broadened the food repertoire (+8.0±1.3 foods) and resulted in moderate theoretical efficiency (+14.8±0.2) and intermediate acceptability (0.11-0.35). A clear trade-off exists between the theoretical efficiency and acceptability of dietary changes, with a graded broadening of the food repertoire.

Microbial production of polyhydroxybutyrate with tailor-made properties: an integrated modelling approach and experimental validation.

PubMed

Penloglou, Giannis; Chatzidoukas, Christos; Kiparissides, Costas

2012-01-01

The microbial production of polyhydroxybutyrate (PHB) is a complex process in which the final quantity and quality of the PHB depend on a large number of process operating variables. Consequently, the design and optimal dynamic operation of a microbial process for the efficient production of PHB with tailor-made molecular properties is an extremely interesting problem. The present study investigates how key process operating variables (i.e., nutritional and aeration conditions) affect the biomass production rate and the PHB accumulation in the cells and its associated molecular weight distribution. A combined metabolic/polymerization/macroscopic modelling approach, relating the process performance and product quality with the process variables, was developed and validated using an extensive series of experiments and measurements. The model predicts the dynamic evolution of the biomass growth, the polymer accumulation, the consumption of carbon and nitrogen sources and the average molecular weights of the PHB in a bioreactor, under batch and fed-batch operating conditions. The proposed integrated model was used for the model-based optimization of the production of PHB with tailor-made molecular properties in Azohydromonas lata bacteria. The process optimization led to a high intracellular PHB accumulation (up to 95% g of PHB per g of DCW) and the production of different grades (i.e., different molecular weight distributions) of PHB. Copyright © 2011 Elsevier Inc. All rights reserved.

Tailored composite wings with elastically produced chordwise camber

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Chang, Stephen; Zischka, Peter J.; Pickings, Richard D.; Holl, Michael W.

1991-01-01

Four structural concepts were created which produce chordwise camber deformation that results in enhanced lift. A wing box can be tailored to utilize each of these with composites. In attempting to optimize the aerodynamic benefits, researchers found that there are two optimum designs that are of interest. There is a weight optimum which corresponds to the maximum lift per unit structural weight. There is also a lift optimum that corresponds to maximum absolute lift. Experience indicates that a large weight penalty accompanies the transition from weight to lift optimum designs. New structural models, the basic deformation mechanisms that are utilized, and typical analytical results are presented. It appears that lift enhancements of sufficient magnitude can be produced to render this type of wing tailoring of practical interest.

Design and Application of a Community Land Benchmarking System for Earth System Models

NASA Astrophysics Data System (ADS)

Mu, M.; Hoffman, F. M.; Lawrence, D. M.; Riley, W. J.; Keppel-Aleks, G.; Koven, C. D.; Kluzek, E. B.; Mao, J.; Randerson, J. T.

2015-12-01

Benchmarking has been widely used to assess the ability of climate models to capture the spatial and temporal variability of observations during the historical era. For the carbon cycle and terrestrial ecosystems, the design and development of an open-source community platform has been an important goal as part of the International Land Model Benchmarking (ILAMB) project. Here we developed a new benchmarking software system that enables the user to specify the models, benchmarks, and scoring metrics, so that results can be tailored to specific model intercomparison projects. Evaluation data sets included soil and aboveground carbon stocks, fluxes of energy, carbon and water, burned area, leaf area, and climate forcing and response variables. We used this system to evaluate simulations from the 5th Phase of the Coupled Model Intercomparison Project (CMIP5) with prognostic atmospheric carbon dioxide levels over the period from 1850 to 2005 (i.e., esmHistorical simulations archived on the Earth System Grid Federation). We found that the multi-model ensemble had a high bias in incoming solar radiation across Asia, likely as a consequence of incomplete representation of aerosol effects in this region, and in South America, primarily as a consequence of a low bias in mean annual precipitation. The reduced precipitation in South America had a larger influence on gross primary production than the high bias in incoming light, and as a consequence gross primary production had a low bias relative to the observations. Although model to model variations were large, the multi-model mean had a positive bias in atmospheric carbon dioxide that has been attributed in past work to weak ocean uptake of fossil emissions. In mid latitudes of the northern hemisphere, most models overestimate latent heat fluxes in the early part of the growing season, and underestimate these fluxes in mid-summer and early fall, whereas sensible heat fluxes show the opposite trend.

Using spatiotemporal statistical models to estimate animal abundance and infer ecological dynamics from survey counts

USGS Publications Warehouse

Conn, Paul B.; Johnson, Devin S.; Ver Hoef, Jay M.; Hooten, Mevin B.; London, Joshua M.; Boveng, Peter L.

2015-01-01

Ecologists often fit models to survey data to estimate and explain variation in animal abundance. Such models typically require that animal density remains constant across the landscape where sampling is being conducted, a potentially problematic assumption for animals inhabiting dynamic landscapes or otherwise exhibiting considerable spatiotemporal variation in density. We review several concepts from the burgeoning literature on spatiotemporal statistical models, including the nature of the temporal structure (i.e., descriptive or dynamical) and strategies for dimension reduction to promote computational tractability. We also review several features as they specifically relate to abundance estimation, including boundary conditions, population closure, choice of link function, and extrapolation of predicted relationships to unsampled areas. We then compare a suite of novel and existing spatiotemporal hierarchical models for animal count data that permit animal density to vary over space and time, including formulations motivated by resource selection and allowing for closed populations. We gauge the relative performance (bias, precision, computational demands) of alternative spatiotemporal models when confronted with simulated and real data sets from dynamic animal populations. For the latter, we analyze spotted seal (Phoca largha) counts from an aerial survey of the Bering Sea where the quantity and quality of suitable habitat (sea ice) changed dramatically while surveys were being conducted. Simulation analyses suggested that multiple types of spatiotemporal models provide reasonable inference (low positive bias, high precision) about animal abundance, but have potential for overestimating precision. Analysis of spotted seal data indicated that several model formulations, including those based on a log-Gaussian Cox process, had a tendency to overestimate abundance. By contrast, a model that included a population closure assumption and a scale prior on total abundance produced estimates that largely conformed to our a priori expectation. Although care must be taken to tailor models to match the study population and survey data available, we argue that hierarchical spatiotemporal statistical models represent a powerful way forward for estimating abundance and explaining variation in the distribution of dynamical populations.

Quantifying the consequences of changing hydroclimatic extremes on protection levels for the Rhine

NASA Astrophysics Data System (ADS)

Sperna Weiland, Frederiek; Hegnauer, Mark; Buiteveld, Hendrik; Lammersen, Rita; van den Boogaard, Henk; Beersma, Jules

2017-04-01

The Dutch method for quantifying the magnitude and frequency of occurrence of discharge extremes in the Rhine basin and the potential influence of climate change hereon are presented. In the Netherlands flood protection design requires estimates of discharge extremes for return periods of 1000 up to 100,000 years. Observed discharge records are too short to derive such extreme return discharges, therefore extreme value assessment is based on very long synthetic discharge time-series generated with the Generator of Rainfall And Discharge Extremes (GRADE). The GRADE instrument consists of (1) a stochastic weather generator based on time series resampling of historical f rainfall and temperature and (2) a hydrological model optimized following the GLUE methodology and (3) a hydrodynamic model to simulate the propagation of flood waves based on the generated hydrological time-series. To assess the potential influence of climate change, the four KNMI'14 climate scenarios are applied. These four scenarios represent a large part of the uncertainty provided by the GCMs used for the IPCC 5th assessment report (the CMIP5 GCM simulations under different climate forcings) and are for this purpose tailored to the Rhine and Meuse river basins. To derive the probability distributions of extreme discharges under climate change the historical synthetic rainfall and temperature series simulated with the weather generator are transformed to the future following the KNMI'14 scenarios. For this transformation the Advanced Delta Change method, which allows that the changes in the extremes differ from those in the means, is used. Subsequently the hydrological model is forced with the historical and future (i.e. transformed) synthetic time-series after which the propagation of the flood waves is simulated with the hydrodynamic model to obtain the extreme discharge statistics both for current and future climate conditions. The study shows that both for 2050 and 2085 increases in discharge extremes for the river Rhine at Lobith are projected by all four KNMI'14 climate scenarios. This poses increased requirements for flood protection design in order to prepare for changing climate conditions.

Combining satellite data and appropriate objective functions for improved spatial pattern performance of a distributed hydrologic model

NASA Astrophysics Data System (ADS)

Demirel, Mehmet C.; Mai, Juliane; Mendiguren, Gorka; Koch, Julian; Samaniego, Luis; Stisen, Simon

2018-02-01

Satellite-based earth observations offer great opportunities to improve spatial model predictions by means of spatial-pattern-oriented model evaluations. In this study, observed spatial patterns of actual evapotranspiration (AET) are utilised for spatial model calibration tailored to target the pattern performance of the model. The proposed calibration framework combines temporally aggregated observed spatial patterns with a new spatial performance metric and a flexible spatial parameterisation scheme. The mesoscale hydrologic model (mHM) is used to simulate streamflow and AET and has been selected due to its soil parameter distribution approach based on pedo-transfer functions and the build in multi-scale parameter regionalisation. In addition two new spatial parameter distribution options have been incorporated in the model in order to increase the flexibility of root fraction coefficient and potential evapotranspiration correction parameterisations, based on soil type and vegetation density. These parameterisations are utilised as they are most relevant for simulated AET patterns from the hydrologic model. Due to the fundamental challenges encountered when evaluating spatial pattern performance using standard metrics, we developed a simple but highly discriminative spatial metric, i.e. one comprised of three easily interpretable components measuring co-location, variation and distribution of the spatial data. The study shows that with flexible spatial model parameterisation used in combination with the appropriate objective functions, the simulated spatial patterns of actual evapotranspiration become substantially more similar to the satellite-based estimates. Overall 26 parameters are identified for calibration through a sequential screening approach based on a combination of streamflow and spatial pattern metrics. The robustness of the calibrations is tested using an ensemble of nine calibrations based on different seed numbers using the shuffled complex evolution optimiser. The calibration results reveal a limited trade-off between streamflow dynamics and spatial patterns illustrating the benefit of combining separate observation types and objective functions. At the same time, the simulated spatial patterns of AET significantly improved when an objective function based on observed AET patterns and a novel spatial performance metric compared to traditional streamflow-only calibration were included. Since the overall water balance is usually a crucial goal in hydrologic modelling, spatial-pattern-oriented optimisation should always be accompanied by traditional discharge measurements. In such a multi-objective framework, the current study promotes the use of a novel bias-insensitive spatial pattern metric, which exploits the key information contained in the observed patterns while allowing the water balance to be informed by discharge observations.

Challenges in treatment of posttraumatic stress disorder in refugees: towards integration of evidence-based treatments with contextual and culture-sensitive perspectives

PubMed Central

Drožđek, Boris

2015-01-01

Background Research shows that trauma-focused therapy and multimodal interventions are the two most often used strategies in treatment of refugees suffering from posttraumatic stress disorder (PTSD). While preliminary evidence suggests that trauma-focused approaches may have some efficacy, this could not be established for multimodal interventions. However, it may be that multimodal interventions have been studied in more treatment-resistant refugees with very high levels of psychopathology, disability, and chronicity. In the past decades, various models for understanding of the complex relationship between mental health problems and well-being have emerged. They aim at framing mental health problems in individualized, contextual, epigenetic, and culturally sensitive ways, and may be useful in tailoring content and timing of multimodal interventions. Objective To draw clinicians’ attention to the possibility of using the Integrative Contextual Model for understanding and assessment of posttrauma mental health sequelae while tailoring multimodal interventions; to present a possible way of combining multimodal with evidence-based trauma-focused approaches; and to improve the understanding and treatment of PTSD and other mental health problems in refugee survivors of prolonged and repeated trauma. Method Based on literature, clinical experience, and presentation of a fictional case, the use of the Integrative Contextual Model in tailoring the treatment of severe PTSD in a refugee patient is presented and discussed. Results The Integrative Contextual Model for understanding and assessing factors, which may play a role in causing and maintaining of PTSD and comorbidity in refugees, may help tailoring of multimodal interventions. These interventions can be combined with evidence-based trauma-focused treatments. Conclusion The field of refugee mental health intervention and clinical practice with traumatized refugees may be enriched with the use of contextual and developmental models for assessment and conceptualization of posttrauma sequelae. Multimodal and trauma-focused interventions may be applied sequentially in a course of the treatment trajectory. PMID:25573504

Publishing web-based guidelines using interactive decision models.

PubMed

Sanders, G D; Nease, R F; Owens, D K

2001-05-01

Commonly used methods for guideline development and dissemination do not enable developers to tailor guidelines systematically to specific patient populations and update guidelines easily. We developed a web-based system, ALCHEMIST, that uses decision models and automatically creates evidence-based guidelines that can be disseminated, tailored and updated over the web. Our objective was to demonstrate the use of this system with clinical scenarios that provide challenges for guideline development. We used the ALCHEMIST system to develop guidelines for three clinical scenarios: (1) Chlamydia screening for adolescent women, (2) antiarrhythmic therapy for the prevention of sudden cardiac death; and (3) genetic testing for the BRCA breast-cancer mutation. ALCHEMIST uses information extracted directly from the decision model, combined with the additional information from the author of the decision model, to generate global guidelines. ALCHEMIST generated electronic web-based guidelines for each of the three scenarios. Using ALCHEMIST, we demonstrate that tailoring a guideline for a population at high-risk for Chlamydia changes the recommended policy for control of Chlamydia from contact tracing of reported cases to a population-based screening programme. We used ALCHEMIST to incorporate new evidence about the effectiveness of implantable cardioverter defibrillators (ICD) and demonstrate that the cost-effectiveness of use of ICDs improves from $74 400 per quality-adjusted life year (QALY) gained to $34 500 per QALY gained. Finally, we demonstrate how a clinician could use ALCHEMIST to incorporate a woman's utilities for relevant health states and thereby develop patient-specific recommendations for BRCA testing; the patient-specific recommendation improved quality-adjusted life expectancy by 37 days. The ALCHEMIST system enables guideline developers to publish both a guideline and an interactive decision model on the web. This web-based tool enables guideline developers to tailor guidelines systematically, to update guidelines easily, and to make the underlying evidence and analysis transparent for users.

Design and results of a culturally tailored cancer outreach project by and for Micronesian women.

PubMed

Aitaoto, Nia; Braun, Kathryn L; Estrella, Julia; Epeluk, Aritae; Tsark, JoAnn

2012-01-01

In 2005, approximately 26% of Micronesian women aged 40 or older in Hawai'i used mammography for breast cancer screening. We describe an 18-month project to increase screening participation in this population by tailoring educational materials and using a lay educator approach. New immigrants to Hawai'i are Marshallese from the Republic of the Marshall Islands and Chuukese, Pohnpeians, and Kosraeans from the Federated States of Micronesia. In Hawai'i, these 4 groups refer to themselves collectively as Micronesians, although each group has its own distinct culture and language. From 2006 through 2007, we applied principles of community-based participatory research--trust building, joint assessment, cultural tailoring of materials, and skills transfer--to develop and track the reach of Micronesian women lay educators in implementing a cancer awareness program among Micronesian women living in Hawai'i. Using our tailored in-language materials, 11 lay educators (5 Chuukese, 3 Marshallese, 2 Pohnpeians, and 1 Kosraean) provided one-on-one and small group in-language cancer information sessions to 567 Micronesian women (aged 18-75 years). Among the 202 women aged 40 or older eligible for mammography screening, 166 (82%) had never had a mammogram and were assisted to screening appointments. After 6 months, 146 (88%) of the 166 had received a mammogram, increasing compliance from 18% to 90%. Lay educators reported increases in their skills and their self-esteem and want to extend their skills to other health issues, including diabetes management and immunization. Tailoring materials and using the lay educator model successfully increased participation in breast cancer screening. This model may work in other communities that aim to reduce disparities in access to cancer screening.

Healthy Colon, Healthy Life

PubMed Central

Walsh, Judith M.E.; Salazar, Rene; Nguyen, Tung T.; Kaplan, Celia; Nguyen, Lamkieu; Hwang, Jimmy; McPhee, Stephen J.; Pasick, Rena J.

2014-01-01

Background Colorectal cancer (CRC) screening rates are increasing, but they are still low, particularly in ethnic minority groups. In many resource-poor settings, fecal occult blood test (FOBT) is the main screening option. Intervention Culturally tailored telephone counseling by community health advisors employed by a community-based organization, culturally tailored brochures, and customized FOBT kits. Design RCT. Participants were randomized to (1) basic intervention: culturally tailored brochure plus FOBT kit (n=765); (2) enhanced intervention: brochure, FOBT plus telephone counseling (n=768); or (3) usual care (n=256). Setting/participants Latino and Vietnamese primary care patients at a large public hospital. Main outcome measures Self-reported receipt of FOBT or any CRC screening at 1-year follow-up. Results 1358 individuals (718 Latinos and 640 Vietnamese) completed the follow-up survey. Self-reported FOBT screening rates increased by 7.8 % in the control group, by 15.1 % in the brochure group, and by 25.1 % in the brochure/telephone counseling group (p<0.01 for differences between each intervention and usual care and for the difference between brochure/telephone counseling and brochure alone). For any CRC screening, rates increased by 4.1 % in the usual care group, by 11.9 % in the FOBT/brochure group, and by 21.4 % in the brochure/telephone counseling group (p<0.01 for differences between each intervention and usual care and for the difference between the basic and the enhanced intervention). Conclusions An intervention that included culturally tailored brochures and tailored telephone counseling increased CRC screening in Latinos and the Vietnamese. Brochure and telephone counseling together had the greatest impact. Future research should address replication and dissemination of this model for Latinos and Vietnamese in other communities, and adaptation of the model for other groups. PMID:20547275

Model for Simulating a Spiral Software-Development Process

NASA Technical Reports Server (NTRS)

Mizell, Carolyn; Curley, Charles; Nayak, Umanath

2010-01-01

A discrete-event simulation model, and a computer program that implements the model, have been developed as means of analyzing a spiral software-development process. This model can be tailored to specific development environments for use by software project managers in making quantitative cases for deciding among different software-development processes, courses of action, and cost estimates. A spiral process can be contrasted with a waterfall process, which is a traditional process that consists of a sequence of activities that include analysis of requirements, design, coding, testing, and support. A spiral process is an iterative process that can be regarded as a repeating modified waterfall process. Each iteration includes assessment of risk, analysis of requirements, design, coding, testing, delivery, and evaluation. A key difference between a spiral and a waterfall process is that a spiral process can accommodate changes in requirements at each iteration, whereas in a waterfall process, requirements are considered to be fixed from the beginning and, therefore, a waterfall process is not flexible enough for some projects, especially those in which requirements are not known at the beginning or may change during development. For a given project, a spiral process may cost more and take more time than does a waterfall process, but may better satisfy a customer's expectations and needs. Models for simulating various waterfall processes have been developed previously, but until now, there have been no models for simulating spiral processes. The present spiral-process-simulating model and the software that implements it were developed by extending a discrete-event simulation process model of the IEEE 12207 Software Development Process, which was built using commercially available software known as the Process Analysis Tradeoff Tool (PATT). Typical inputs to PATT models include industry-average values of product size (expressed as number of lines of code), productivity (number of lines of code per hour), and number of defects per source line of code. The user provides the number of resources, the overall percent of effort that should be allocated to each process step, and the number of desired staff members for each step. The output of PATT includes the size of the product, a measure of effort, a measure of rework effort, the duration of the entire process, and the numbers of injected, detected, and corrected defects as well as a number of other interesting features. In the development of the present model, steps were added to the IEEE 12207 waterfall process, and this model and its implementing software were made to run repeatedly through the sequence of steps, each repetition representing an iteration in a spiral process. Because the IEEE 12207 model is founded on a waterfall paradigm, it enables direct comparison of spiral and waterfall processes. The model can be used throughout a software-development project to analyze the project as more information becomes available. For instance, data from early iterations can be used as inputs to the model, and the model can be used to estimate the time and cost of carrying the project to completion.

Identifying optimal threshold statistics for elimination of hookworm using a stochastic simulation model.

PubMed

Truscott, James E; Werkman, Marleen; Wright, James E; Farrell, Sam H; Sarkar, Rajiv; Ásbjörnsdóttir, Kristjana; Anderson, Roy M

2017-06-30

There is an increased focus on whether mass drug administration (MDA) programmes alone can interrupt the transmission of soil-transmitted helminths (STH). Mathematical models can be used to model these interventions and are increasingly being implemented to inform investigators about expected trial outcome and the choice of optimum study design. One key factor is the choice of threshold for detecting elimination. However, there are currently no thresholds defined for STH regarding breaking transmission. We develop a simulation of an elimination study, based on the DeWorm3 project, using an individual-based stochastic disease transmission model in conjunction with models of MDA, sampling, diagnostics and the construction of study clusters. The simulation is then used to analyse the relationship between the study end-point elimination threshold and whether elimination is achieved in the long term within the model. We analyse the quality of a range of statistics in terms of the positive predictive values (PPV) and how they depend on a range of covariates, including threshold values, baseline prevalence, measurement time point and how clusters are constructed. End-point infection prevalence performs well in discriminating between villages that achieve interruption of transmission and those that do not, although the quality of the threshold is sensitive to baseline prevalence and threshold value. Optimal post-treatment prevalence threshold value for determining elimination is in the range 2% or less when the baseline prevalence range is broad. For multiple clusters of communities, both the probability of elimination and the ability of thresholds to detect it are strongly dependent on the size of the cluster and the size distribution of the constituent communities. Number of communities in a cluster is a key indicator of probability of elimination and PPV. Extending the time, post-study endpoint, at which the threshold statistic is measured improves PPV value in discriminating between eliminating clusters and those that bounce back. The probability of elimination and PPV are very sensitive to baseline prevalence for individual communities. However, most studies and programmes are constructed on the basis of clusters. Since elimination occurs within smaller population sub-units, the construction of clusters introduces new sensitivities for elimination threshold values to cluster size and the underlying population structure. Study simulation offers an opportunity to investigate key sources of sensitivity for elimination studies and programme designs in advance and to tailor interventions to prevailing local or national conditions.

Experience of Primary Care among Homeless Individuals with Mental Health Conditions

PubMed Central

Chrystal, Joya G.; Glover, Dawn L.; Young, Alexander S.; Whelan, Fiona; Austin, Erika L.; Johnson, Nancy K.; Pollio, David E.; Holt, Cheryl L.; Stringfellow, Erin; Gordon, Adam J.; Kim, Theresa A.; Daigle, Shanette G.; Steward, Jocelyn L.; Kertesz, Stefan G

2015-01-01

The delivery of primary care to homeless individuals with mental health conditions presents unique challenges. To inform healthcare improvement, we studied predictors of favorable primary care experience among homeless persons with mental health conditions treated at sites that varied in degree of homeless-specific service tailoring. This was a multi-site, survey-based comparison of primary care experiences at three mainstream primary care clinics of the Veterans Administration (VA), one homeless-tailored VA clinic, and one tailored non-VA healthcare program. Persons who accessed primary care service two or more times from July 2008 through June 2010 (N = 366) were randomly sampled. Predictor variables included patient and organization characteristics suggested by the patient perception model developed by Sofaer and Firminger (2005), with an emphasis on mental health. The primary care experience was assessed with the Primary Care Quality-Homeless (PCQ-H) questionnaire, a validated survey instrument. Multiple regression identified predictors of positive experiences (i.e. higher PCQ-H total score). Significant predictors of a positive experience included a site offering tailored service design, perceived choice among providers, and currently domiciled status. There was an interaction effect between site and severe psychiatric symptoms. For persons with severe psychiatric symptoms, a homeless-tailored service design was significantly associated with a more favorable primary care experience. For persons without severe psychiatric symptoms, this difference was not significant. This study supports the importance of tailored healthcare delivery designed for homeless persons’ needs, with such services potentially holding special relevance for persons with mental health conditions. To improve patient experience among the homeless, organizations may want to deliver services that are tailored to homelessness and offer a choice of providers. PMID:25659142

Experience of primary care among homeless individuals with mental health conditions.

PubMed

Chrystal, Joya G; Glover, Dawn L; Young, Alexander S; Whelan, Fiona; Austin, Erika L; Johnson, Nancy K; Pollio, David E; Holt, Cheryl L; Stringfellow, Erin; Gordon, Adam J; Kim, Theresa A; Daigle, Shanette G; Steward, Jocelyn L; Kertesz, Stefan G

2015-01-01

The delivery of primary care to homeless individuals with mental health conditions presents unique challenges. To inform healthcare improvement, we studied predictors of favorable primary care experience among homeless persons with mental health conditions treated at sites that varied in degree of homeless-specific service tailoring. This was a multi-site, survey-based comparison of primary care experiences at three mainstream primary care clinics of the Veterans Administration (VA), one homeless-tailored VA clinic, and one tailored non-VA healthcare program. Persons who accessed primary care service two or more times from July 2008 through June 2010 (N = 366) were randomly sampled. Predictor variables included patient and organization characteristics suggested by the patient perception model developed by Sofaer and Firminger (2005), with an emphasis on mental health. The primary care experience was assessed with the Primary Care Quality-Homeless (PCQ-H) questionnaire, a validated survey instrument. Multiple regression identified predictors of positive experiences (i.e. higher PCQ-H total score). Significant predictors of a positive experience included a site offering tailored service design, perceived choice among providers, and currently domiciled status. There was an interaction effect between site and severe psychiatric symptoms. For persons with severe psychiatric symptoms, a homeless-tailored service design was significantly associated with a more favorable primary care experience. For persons without severe psychiatric symptoms, this difference was not significant. This study supports the importance of tailored healthcare delivery designed for homeless persons' needs, with such services potentially holding special relevance for persons with mental health conditions. To improve patient experience among the homeless, organizations may want to deliver services that are tailored to homelessness and offer a choice of providers.

Randomized controlled trial of an online mother-daughter body image and well-being intervention.

PubMed

Diedrichs, Phillippa C; Atkinson, Melissa J; Garbett, Kirsty M; Williamson, Heidi; Halliwell, Emma; Rumsey, Nichola; Leckie, George; Sibley, Chris G; Barlow, Fiona Kate

2016-09-01

Poor body image is a public health issue. Mothers are a key influence on adolescent girls' body image. This study evaluated an accessible, scalable, low-intensity internet-based intervention delivered to mothers (Dove Self Esteem Project Website for Parents) on mothers' and their adolescent daughters' body image and psychosocial well-being. British mother-daughter dyads (N = 235) participated in a cluster randomized controlled trial (assessment-only control; mothers viewed the website without structured guidance [website-unstructured]; mothers viewed the website via a tailored pathway [website-tailored]). Dyads completed standardized self-report measures of body image, related risk factors, and psychosocial outcomes at baseline, 2 weeks post-exposure, 6-week, and 12-month follow-up. Dyadic models showed that relative to the control, mothers who viewed the website reported significantly higher self-esteem at post-exposure (website-tailored), higher weight esteem at 6-week follow-up (website-tailored), lower negative affect at 12-month follow-up (website-tailored), engaged in more self-reported conversations with their daughters about body image at post-exposure and 6-week follow-up, and were 3-4.66 times more likely to report seeking additional support for body image issues at post-exposure (website-tailored), 6-week, and 12-month (website-tailored) follow-up. Daughters whose mothers viewed the website had higher self-esteem and reduced negative affect at 6-week follow-up. There were no differences on daughters' body image, and risk factors among mothers or daughters, at post-exposure or follow-up. Tailoring website content appeared beneficial. This intervention offers a promising 'first-step' toward improving psychosocial well-being among mothers and daughters. In order to further optimize the intervention, future research to improve body image-related outcomes and to understand mechanisms for change would be beneficial. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Effectiveness of a Video-Versus Text-Based Computer-Tailored Intervention for Obesity Prevention after One Year: A Randomized Controlled Trial

PubMed Central

Cheung, Kei Long; Schwabe, Inga; Walthouwer, Michel J. L.; Oenema, Anke; de Vries, Hein

2017-01-01

Computer-tailored programs may help to prevent overweight and obesity, which are worldwide public health problems. This study investigated (1) the 12-month effectiveness of a video- and text-based computer-tailored intervention on energy intake, physical activity, and body mass index (BMI), and (2) the role of educational level in intervention effects. A randomized controlled trial in The Netherlands was conducted, in which adults were allocated to a video-based condition, text-based condition, or control condition, with baseline, 6 months, and 12 months follow-up. Outcome variables were self-reported BMI, physical activity, and energy intake. Mixed-effects modelling was used to investigate intervention effects and potential interaction effects. Compared to the control group, the video intervention group was effective regarding energy intake after 6 months (least squares means (LSM) difference = −205.40, p = 0.00) and 12 months (LSM difference = −128.14, p = 0.03). Only video intervention resulted in lower average daily energy intake after one year (d = 0.12). Educational role and BMI did not seem to interact with this effect. No intervention effects on BMI and physical activity were found. The video computer-tailored intervention was effective on energy intake after one year. This effect was not dependent on educational levels or BMI categories, suggesting that video tailoring can be effective for a broad range of risk groups and may be preferred over text tailoring. PMID:29065545

The Effects of Text Message Content on the Use of an Internet-Based Physical Activity Intervention in Hong Kong Chinese Adolescents.

PubMed

Lau, Erica Y; Lau, Patrick W C; Cai, Bo; Archer, Edward

2015-01-01

This study examined the effects of text message content (generic vs. culturally tailored) on the login rate of an Internet physical activity program in Hong Kong Chinese adolescent school children. A convenience sample of 252 Hong Kong secondary school adolescents (51% female, 49% male; M age = 13.17 years, SD = 1.28 years) were assigned to one of 3 treatments for 8 weeks. The control group consisted of an Internet physical activity program. The Internet plus generic text message group consisted of the same Internet physical activity program and included daily generic text messages. The Internet plus culturally tailored text message group consisted of the Internet physical activity program and included daily culturally tailored text messages. Zero-inflated Poisson mixed models showed that the overall effect of the treatment group on the login rates varied significantly across individuals. The login rates over time were significantly higher in the Internet plus culturally tailored text message group than the control group (β = 46.06, 95% CI 13.60, 156.02; p = .002) and the Internet plus generic text message group (β = 15.80, 95% CI 4.81, 51.9; p = .021) after adjusting for covariates. These findings suggest that culturally tailored text messages may be more advantageous than generic text messages on improving adolescents' website login rate, but effects varied significantly across individuals. Our results support the inclusion of culturally tailored messaging in future online physical activity interventions.

Tailored high-resolution numerical weather forecasts for energy efficient predictive building control

NASA Astrophysics Data System (ADS)

Stauch, V. J.; Gwerder, M.; Gyalistras, D.; Oldewurtel, F.; Schubiger, F.; Steiner, P.

2010-09-01

The high proportion of the total primary energy consumption by buildings has increased the public interest in the optimisation of buildings' operation and is also driving the development of novel control approaches for the indoor climate. In this context, the use of weather forecasts presents an interesting and - thanks to advances in information and predictive control technologies and the continuous improvement of numerical weather prediction (NWP) models - an increasingly attractive option for improved building control. Within the research project OptiControl (www.opticontrol.ethz.ch) predictive control strategies for a wide range of buildings, heating, ventilation and air conditioning (HVAC) systems, and representative locations in Europe are being investigated with the aid of newly developed modelling and simulation tools. Grid point predictions for radiation, temperature and humidity of the high-resolution limited area NWP model COSMO-7 (see www.cosmo-model.org) and local measurements are used as disturbances and inputs into the building system. The control task considered consists in minimizing energy consumption whilst maintaining occupant comfort. In this presentation, we use the simulation-based OptiControl methodology to investigate the impact of COSMO-7 forecasts on the performance of predictive building control and the resulting energy savings. For this, we have selected building cases that were shown to benefit from a prediction horizon of up to 3 days and therefore, are particularly suitable for the use of numerical weather forecasts. We show that the controller performance is sensitive to the quality of the weather predictions, most importantly of the incident radiation on differently oriented façades. However, radiation is characterised by a high temporal and spatial variability in part caused by small scale and fast changing cloud formation and dissolution processes being only partially represented in the COSMO-7 grid point predictions. On the other hand, buildings are affected by particularly local weather conditions at the building site. To overcome this discrepancy, we make use of local measurements to statistically adapt the COSMO-7 model output to the meteorological conditions at the building. For this, we have developed a general correction algorithm that exploits systematic properties of the COSMO-7 prediction error and explicitly estimates the degree of temporal autocorrelation using online recursive estimation. The resulting corrected predictions are improved especially for the first few hours being the most crucial for the predictive controller and, ultimately for the reduction of primary energy consumption using predictive control. The use of numerical weather forecasts in predictive building automation is one example in a wide field of weather dependent advanced energy saving technologies. Our work particularly highlights the need for the development of specifically tailored weather forecast products by (statistical) postprocessing in order to meet the requirements of specific applications.

Generating performance portable geoscientific simulation code with Firedrake (Invited)

NASA Astrophysics Data System (ADS)

Ham, D. A.; Bercea, G.; Cotter, C. J.; Kelly, P. H.; Loriant, N.; Luporini, F.; McRae, A. T.; Mitchell, L.; Rathgeber, F.

2013-12-01

This presentation will demonstrate how a change in simulation programming paradigm can be exploited to deliver sophisticated simulation capability which is far easier to programme than are conventional models, is capable of exploiting different emerging parallel hardware, and is tailored to the specific needs of geoscientific simulation. Geoscientific simulation represents a grand challenge computational task: many of the largest computers in the world are tasked with this field, and the requirements of resolution and complexity of scientists in this field are far from being sated. However, single thread performance has stalled, even sometimes decreased, over the last decade, and has been replaced by ever more parallel systems: both as conventional multicore CPUs and in the emerging world of accelerators. At the same time, the needs of scientists to couple ever-more complex dynamics and parametrisations into their models makes the model development task vastly more complex. The conventional approach of writing code in low level languages such as Fortran or C/C++ and then hand-coding parallelism for different platforms by adding library calls and directives forces the intermingling of the numerical code with its implementation. This results in an almost impossible set of skill requirements for developers, who must simultaneously be domain science experts, numericists, software engineers and parallelisation specialists. Even more critically, it requires code to be essentially rewritten for each emerging hardware platform. Since new platforms are emerging constantly, and since code owners do not usually control the procurement of the supercomputers on which they must run, this represents an unsustainable development load. The Firedrake system, conversely, offers the developer the opportunity to write PDE discretisations in the high-level mathematical language UFL from the FEniCS project (http://fenicsproject.org). Non-PDE model components, such as parametrisations, can be written as short C kernels operating locally on the underlying mesh, with no explicit parallelism. The executable code is then generated in C, CUDA or OpenCL and executed in parallel on the target architecture. The system also offers features of special relevance to the geosciences. In particular, the large scale separation between the vertical and horizontal directions in many geoscientific processes can be exploited to offer the flexibility of unstructured meshes in the horizontal direction, without the performance penalty usually associated with those methods.

Optimization of laser-plasma injector via beam loading effects using ionization-induced injection

NASA Astrophysics Data System (ADS)

Lee, P.; Maynard, G.; Audet, T. L.; Cros, B.; Lehe, R.; Vay, J.-L.

2018-05-01

Simulations of ionization-induced injection in a laser driven plasma wakefield show that high-quality electron injectors in the 50-200 MeV range can be achieved in a gas cell with a tailored density profile. Using the PIC code Warp with parameters close to existing experimental conditions, we show that the concentration of N2 in a hydrogen plasma with a tailored density profile is an efficient parameter to tune electron beam properties through the control of the interplay between beam loading effects and varying accelerating field in the density profile. For a given laser plasma configuration, with moderate normalized laser amplitude, a0=1.6 and maximum electron plasma density, ne 0=4 ×1018 cm-3 , the optimum concentration results in a robust configuration to generate electrons at 150 MeV with a rms energy spread of 4% and a spectral charge density of 1.8 pC /MeV .

The experiment and analysis of tailoring V(sub L) and I(sub P) with ZnO voltage-sensitive resistor on HT-6M

NASA Astrophysics Data System (ADS)

Fan, Shuping; Liu, Baohua; Ye, Minyou; Luo, Jiarong

1992-12-01

The idea of improving plateau with ZnO 'varistor' (voltage sensitive resistor) is presented. The result of tailoring V(sub L) and I(sub P) experiment on HT-6M tokamak is introduced. An improved tens millisecond plateau was achieved ((Delta) V(sub L)/V(sub L) less than 5%, (Delta)I(sub p)/I(sub p) less than 5%, (Delta)N(sub e)/N(sub e) less than 10%). Obviously, it is of great importance for many diagnostic measurements and further physics experiments to have the constant distribution of temperature and density. A simplified analysis of the actual poloidal circuit of HT-6M is given. The numerical simulation and the result of experiment are compared. The operating principle of the varistor and its application on iron core transformer tokamak in plateau and rising phase are mentioned.

Injection locking at 2f of spin torque oscillators under influence of thermal noise.

PubMed

Tortarolo, M; Lacoste, B; Hem, J; Dieudonné, C; Cyrille, M-C; Katine, J A; Mauri, D; Zeltser, A; Buda-Prejbeanu, L D; Ebels, U

2018-01-29

Integration of Spin Torque Nano-Oscillators STNO's in conventional microwave circuits means that the devices have to meet certain specifications. One of the most important criteria is the phase noise, being the key parameter to evaluate the performance and define possible applications. Phase locking several oscillators together has been suggested as a possible means to decrease phase noise and consequently, the linewidth. In this work we present experiments, numerical simulations and an analytic model to describe the effects of thermal noise in the injection locking of a tunnel junction based STNO. The analytics show the relation of the intrinsic parameters of the STNO with the phase noise level, opening the path to tailor the spectral characteristics by the magnetic configuration. Experiments and simulations demonstrate that in the in-plane magnetized structure, while the frequency is locked, much higher reference currents are needed to reduce the noise by phase locking. Moreover, our analysis shows that it is possible to control the phase noise by the reference microwave current (I RF ) and that it can be further reduced by increasing the bias current (I DC ) of the oscillator, keeping the reference current in feasible limits for applications.

Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

PubMed Central

De Paris, Renata; Quevedo, Christian V.; Ruiz, Duncan D.; Norberto de Souza, Osmar; Barros, Rodrigo C.

2015-01-01

Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR) model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand. PMID:25873944

Numerical Simulation and Mechanical Design for TPS Electron Beam Position Monitors

NASA Astrophysics Data System (ADS)

Hsueh, H. P.; Kuan, C. K.; Ueng, T. S.; Hsiung, G. Y.; Chen, J. R.

2007-01-01

Comprehensive study on the mechanical design and numerical simulation for the high resolution electron beam position monitors are key steps to build the newly proposed 3rd generation synchrotron radiation research facility, Taiwan Photon Source (TPS). With more advanced electromagnetic simulation tool like MAFIA tailored specifically for particle accelerator, the design for the high resolution electron beam position monitors can be tested in such environment before they are experimentally tested. The design goal of our high resolution electron beam position monitors is to get the best resolution through sensitivity and signal optimization. The definitions and differences between resolution and sensitivity of electron beam position monitors will be explained. The design consideration is also explained. Prototype deign has been carried out and the related simulations were also carried out with MAFIA. The results are presented here. Sensitivity as high as 200 in x direction has been achieved in x direction at 500 MHz.

Fabrication and characterization of optical sensors using metallic core-shell thin film nanoislands for ozone detection

NASA Astrophysics Data System (ADS)

Addanki, Satish; Nedumaran, D.

2017-07-01

Core-Shell nanostructures play a vital role in the sensor field owing to their performance improvements in sensing characteristics and well-established synthesis procedures. These nanostructures can be ingeniously tuned to achieve tailored properties for a particular application of interest. In this work, an Ag-Au core-shell thin film nanoislands with APTMS (3-Aminopropyl trimethoxysilane) and PVA (Polyvinyl alcohol) binding agents was modeled, synthesized and characterized. The simulation results were used to fabricate the sensor through chemical route. The results of this study confirmed that the APTMS based Ag-Au core-shell thin film nanoislands offered a better performance over the PVA based Ag-Au core-shell thin film nanoislands. Also, the APTMS based Ag-Au core-shell thin film nanoislands exhibited better sensitivity towards ozone sensing over the other types, viz., APTMS/PVA based Au-Ag core-shell and standalone Au/Ag thin film nanoislands.

Mesoscale magnetism

DOE PAGES

Hoffmann, Axel; Schultheiß, Helmut

2014-12-17

Magnetic interactions give rise to a surprising amount of complexity due to the fact that both static and dynamic magnetic properties are governed by competing short-range exchange interactions and long-range dipolar coupling. Even though the underlying dynamical equations are well established, the connection of magnetization dynamics to other degrees of freedom, such as optical excitations, charge and heat flow, or mechanical motion, make magnetism a mesoscale research problem that is still wide open for exploration. Synthesizing magnetic materials and heterostructures with tailored properties will allow to take advantage of magnetic interactions spanning many length-scales, which can be probed with advancedmore » spectroscopy and microscopy and modeled with multi-scale simulations. Finally, this paper highlights some of the current basic research topics in mesoscale magnetism, which beyond their fundamental science impact are also expected to influence applications ranging from information technologies to magnetism based energy conversion.« less

From Physics Model to Results: An Optimizing Framework for Cross-Architecture Code Generation

DOE PAGES

Blazewicz, Marek; Hinder, Ian; Koppelman, David M.; ...

2013-01-01

Starting from a high-level problem description in terms of partial differential equations using abstract tensor notation, the Chemora framework discretizes, optimizes, and generates complete high performance codes for a wide range of compute architectures. Chemora extends the capabilities of Cactus, facilitating the usage of large-scale CPU/GPU systems in an efficient manner for complex applications, without low-level code tuning. Chemora achieves parallelism through MPI and multi-threading, combining OpenMP and CUDA. Optimizations include high-level code transformations, efficient loop traversal strategies, dynamically selected data and instruction cache usage strategies, and JIT compilation of GPU code tailored to the problem characteristics. The discretization ismore » based on higher-order finite differences on multi-block domains. Chemora's capabilities are demonstrated by simulations of black hole collisions. This problem provides an acid test of the framework, as the Einstein equations contain hundreds of variables and thousands of terms.« less

Harnessing out-of-plane deformation to design 3D architected lattice metamaterials with tunable Poisson's ratio.

PubMed

Li, Tiantian; Hu, Xiaoyi; Chen, Yanyu; Wang, Lifeng

2017-08-21

Auxetic materials exhibiting a negative Poisson's ratio are of great research interest due to their unusual mechanical responses and a wide range of potential deployment. Efforts have been devoted to exploring novel 2D and 3D auxetic structures through rational design, optimization, and taking inspiration from nature. Here we report a 3D architected lattice system showing a negative Poisson's ratio over a wide range of applied uniaxial stretch. 3D printing, experimental tests, numerical simulation, and analytical modeling are implemented to quantify the evolution of the Poisson's ratio and reveal the underlying mechanisms responsible for this unusual behavior. We further show that the auxetic behavior can be controlled by tailoring the geometric features of the ligaments. The findings reported here provide a new routine to design architected metamaterial systems exhibiting unusual properties and having a wide range of potential applications.

Adsorptive detoxification of fermentation inhibitors in acid pretreated liquor using functionalized polymer designed by molecular simulation.

PubMed

Devendra, Leena P; Pandey, Ashok

2017-11-01

Acid pretreatment is the most common method employed in the lignocellulosic biorefinery leading to the separation of pentose and hexose sugar. The liquor obtained after pretreatment (acid pretreatment liquor or APL) needs to be detoxified prior to fermentation. The aim of this study was to design functional groups on a polymer matrix which are selective in their interaction to inhibitors with little or no specificity to sugars. Molecular modeling was used as a tool to design a suitable adsorbent for selective adsorption of inhibitors from a complex mixture of APL. Phenyl glycine-p-sulfonic acid loaded on chloromethylated polystyrene polymer was designed as an adsorbent for selective interaction with inhibitors. Experimental verification of the selectivity was successfully achieved. The current study provides insights on the adsorptive separation processes at the molecular level by design of specific adsorbent which can be tailor made for the better selectivity of the desired component.

Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical Investigation.

PubMed

Amirjalayer, Saeed; Tafipolsky, Maxim; Schmid, Rochus

2014-09-18

The surface morphology and termination of metal-organic frameworks (MOF) is of critical importance in many applications, but the surface properties of these soft materials are conceptually different from those of other materials like metal or oxide surfaces. Up to now, experimental investigations are scarce and theoretical simulations have focused on the bulk properties. The possible surface structure of the archetypal MOF HKUST-1 is investigated by a first-principles derived force field in combination with DFT calculations of model systems. The computed surface energies correctly predict the [111] surface to be most stable and allow us to obtain an unprecedented atomistic picture of the surface termination. Entropic factors are identified to determine the preferred surface termination and to be the driving force for the MOF growth. On the basis of this, reported strategies like employing "modulators" during the synthesis to tailor the crystal morphology are discussed.

Disclination mediated dynamic recrystallization in metals at low temperature.

PubMed

Aramfard, Mohammad; Deng, Chuang

2015-09-16

Recrystallization is one of the most important physical phenomena in condensed matter that has been utilized for materials processing for thousands of years in human history. It is generally believed that recrystallization is thermally activated and a minimum temperature must be achieved for the necessary atomic mechanisms to occur. Here, using atomistic simulations, we report a new mechanism of dynamic recrystallization that can operate at temperature as low as T = 10 K in metals during deformation. In contrast to previously proposed dislocation-based models, this mechanism relies on the generation of disclination quadrupoles, which are special defects that form during deformation when the grain boundary migration is restricted by structural defects such as triple junctions, cracks or obstacles. This mechanism offers an alternative explanation for the grain refinement in metals during severe plastic deformation at cryogenic temperature and may suggest a new method to tailor the microstructure in general crystalline materials.

Disclination mediated dynamic recrystallization in metals at low temperature

PubMed Central

Aramfard, Mohammad; Deng, Chuang

2015-01-01

Recrystallization is one of the most important physical phenomena in condensed matter that has been utilized for materials processing for thousands of years in human history. It is generally believed that recrystallization is thermally activated and a minimum temperature must be achieved for the necessary atomic mechanisms to occur. Here, using atomistic simulations, we report a new mechanism of dynamic recrystallization that can operate at temperature as low as T = 10 K in metals during deformation. In contrast to previously proposed dislocation-based models, this mechanism relies on the generation of disclination quadrupoles, which are special defects that form during deformation when the grain boundary migration is restricted by structural defects such as triple junctions, cracks or obstacles. This mechanism offers an alternative explanation for the grain refinement in metals during severe plastic deformation at cryogenic temperature and may suggest a new method to tailor the microstructure in general crystalline materials. PMID:26374603

Extra-high short-circuit current for bifacial solar cells in sunny and dark-light conditions.

PubMed

Duan, Jialong; Duan, Yanyan; Zhao, Yuanyuan; He, Benlin; Tang, Qunwei

2017-09-05

We present here a symmetrically structured bifacial solar cell tailored by two fluorescent photoanodes and a platinum/titanium/platinum counter electrode, yielding extra-high short-circuit current densities as high as 28.59 mA cm -2 and 119.9 μA cm -2 in simulated sunlight irradiation (100 mW cm -2 , AM1.5) and dark-light conditions, respectively.

Results of recent NASA studies on automatic spin prevention for fighter aircraft

NASA Technical Reports Server (NTRS)

Chambers, J. R.; Nguyen, L. T.

1976-01-01

A broad based research program was developed to eliminate or minimize inadvertent spins for advanced military aircraft. Recent piloted simulator studies and airplane flight tests have demonstrated that the automatic control systems in use on current fighters can be tailored to provide a high degree of spin resistance for some configurations without restrictions to maneuverability. Such systems result in greatly increased tactical effectiveness, safety, and pilot confidence.

Gradient rotating outer volume excitation (GROOVE): A novel method for single-shot two-dimensional outer volume suppression.

PubMed

Powell, Nathaniel J; Jang, Albert; Park, Jang-Yeon; Valette, Julien; Garwood, Michael; Marjańska, Małgorzata

2015-01-01

To introduce a new outer volume suppression (OVS) technique that uses a single pulse and rotating gradients to accomplish frequency-swept excitation. This new technique, which is called gradient rotating outer volume excitation (GROOVE), produces a circular or elliptical suppression band rather than suppressing the entire outer volume. Theoretical and k-space descriptions of GROOVE are provided. The properties of GROOVE were investigated with simulations, phantom, and human experiments performed using a 4T horizontal bore magnet equipped with a TEM coil. Similar suppression performance was obtained in phantom and human brain using GROOVE with circular and elliptical shapes. Simulations indicate that GROOVE requires less SAR and time than traditional OVS schemes, but traditional schemes provide a sharper transition zone and less residual signal. GROOVE represents a new way of performing OVS in which spins are excited temporally in space on a trajectory that can be tailored to fit the shape of the suppression region. In addition, GROOVE is capable of suppressing tailored regions of space with more flexibility and in a shorter period of time than conventional methods. GROOVE provides a fast, low SAR alternative to conventional OVS methods in some applications (e.g., scalp suppression). © 2014 Wiley Periodicals, Inc.

Boundary Conditions for Diffusion-Mediated Processes within Linear Nanopores: Exact Treatment of Coupling to an Equilibrated External Fluid

DOE PAGES

Garcia, Andres; Evans, James W.

2017-04-03

In this paper, we consider a variety of diffusion-mediated processes occurring within linear nanopores, but which involve coupling to an equilibrated external fluid through adsorption and desorption. By determining adsorption and desorption rates through a set of tailored simulations, and by exploiting a spatial Markov property of the models, we develop a formulation for performing efficient pore-only simulations of these processes. Coupling to the external fluid is described exactly through appropriate nontrivial boundary conditions at the pore openings. This formalism is applied to analyze the following: (i) tracer counter permeation (TCP) where different labeled particles adsorb into opposite ends ofmore » the pore and establish a nonequilibrium steady state; (ii) tracer exchange (TE) with exchange of differently labeled particles within and outside the pore; (iii) catalytic conversion reactions where a reactant in the external fluid adsorbs into the pore and converts to a product which may desorb. The TCP analysis also generates a position-dependent generalized tracer diffusion coefficient, the form of which controls behavior in the TE and catalytic conversion processes. We focus on the regime of single-file diffusion within the pore which produces the strongest correlations and largest deviations from mean-field type behavior. Finally, behavior is quantified precisely via kinetic Monte Carlo simulations but is also captured with appropriate analytic treatments.« less

Nonuniform sampling techniques for antenna applications

NASA Technical Reports Server (NTRS)

Rahmat-Samii, Yahya; Cheung, Rudolf Lap-Tung

1987-01-01

A two-dimensional sampling technique, which can employ irregularly spaced samples (amplitude and phase) in order to generate the complete far-field patterns is presented. The technique implements a matrix inversion algorithm, which depends only on the nonuniform sampled data point locations and with no dependence on the actual field values at these points. A powerful simulation algorithm is presented to allow a real-life simulation of many reflector/feed configurations and to determine the usefulness of the nonuniform sampling technique for the copolar and cross-polar patterns. Additionally, an overlapped window concept and a generalized error simulation model are discussed to identify the stability of the technique for recovering the field data among the nonuniform sampled data. Numerical results are tailored for the pattern reconstruction of a 20-m offset reflector antenna operating at L-band. This reflector is planned to be used in a proposed measurement concept of large antenna aboard the Space Shuttle, whereby it would be almost impractical to accurately control the movement of the Shuttle with respect to the RF source in prescribed directions in order to generate uniform sampled points. Also, application of the nonuniform sampling technique to patterns obtained using near-field measured data is demonstrated. Finally, results of an actual far-field measurement are presented for the construction of patterns of a reflector antenna from a set of nonuniformly distributed measured amplitude and phase data.

Hyperspectral monitoring of chemically sensitive plant sentinels

NASA Astrophysics Data System (ADS)

Simmons, Danielle A.; Kerekes, John P.; Raqueno, Nina G.

2009-08-01

Automated detection of chemical threats is essential for an early warning of a potential attack. Harnessing plants as bio-sensors allows for distributed sensing without a power supply. Monitoring the bio-sensors requires a specifically tailored hyperspectral system. Tobacco plants have been genetically engineered to de-green when a material of interest (e.g. zinc, TNT) is introduced to their immediate vicinity. The reflectance spectra of the bio-sensors must be accurately characterized during the de-greening process for them to play a role in an effective warning system. Hyperspectral data have been collected under laboratory conditions to determine the key regions in the reflectance spectra associated with the degreening phenomenon. Bio-sensor plants and control (nongenetically engineered) plants were exposed to TNT over the course of two days and their spectra were measured every six hours. Rochester Institute of Technologys Digital Imaging and Remote Sensing Image Generation Model (DIRSIG) was used to simulate detection of de-greened plants in the field. The simulated scene contains a brick school building, sidewalks, trees and the bio-sensors placed at the entrances to the buildings. Trade studies of the bio-sensor monitoring system were also conducted using DIRSIG simulations. System performance was studied as a function of field of view, pixel size, illumination conditions, radiometric noise, spectral waveband dependence and spectral resolution. Preliminary results show that the most significant change in reflectance during the degreening period occurs in the near infrared region.

Automated Finite Element Analysis of Elastically-Tailored Plates

NASA Technical Reports Server (NTRS)

Jegley, Dawn C. (Technical Monitor); Tatting, Brian F.; Guerdal, Zafer

2003-01-01

A procedure for analyzing and designing elastically tailored composite laminates using the STAGS finite element solver has been presented. The methodology used to produce the elastic tailoring, namely computer-controlled steering of unidirectionally reinforced composite material tows, has been reduced to a handful of design parameters along with a selection of construction methods. The generality of the tow-steered ply definition provides the user a wide variety of options for laminate design, which can be automatically incorporated with any finite element model that is composed of STAGS shell elements. Furthermore, the variable stiffness parameterization is formulated so that manufacturability can be assessed during the design process, plus new ideas using tow steering concepts can be easily integrated within the general framework of the elastic tailoring definitions. Details for the necessary implementation of the tow-steering definitions within the STAGS hierarchy is provided, and the format of the ply definitions is discussed in detail to provide easy access to the elastic tailoring choices. Integration of the automated STAGS solver with laminate design software has been demonstrated, so that the large design space generated by the tow-steering options can be traversed effectively. Several design problems are presented which confirm the usefulness of the design tool as well as further establish the potential of tow-steered plies for laminate design.

Tailored interventions to overcome identified barriers to change: effects on professional practice and health care outcomes

PubMed Central

Baker, Richard; Camosso-Stefinovic, Janette; Gillies, Clare; Shaw, Elizabeth J; Cheater, Francine; Flottorp, Signe; Robertson, Noelle

2014-01-01

Background In the previous version of this review, the effectiveness of interventions tailored to barriers to change was found to be uncertain. Objectives To assess the effectiveness of interventions tailored to address identified barriers to change on professional practice or patient outcomes. Search methods For this update, in addition to the EPOC Register and pending files, we searched the following databases without language restrictions, from inception until August 2007: MEDLINE, EMBASE, CINAHL, BNI and HMIC. We searched the National Research Register to November 2007. We undertook further searches to October 2009 to identify potentially eligible published or ongoing trials. Selection criteria Randomised controlled trials (RCTs) of interventions tailored to address prospectively identified barriers to change that reported objectively measured professional practice or healthcare outcomes in which at least one group received an intervention designed to address prospectively identified barriers to change. Data collection and analysis Two reviewers independently assessed quality and extracted data. We undertook quantitative and qualitative analyses. The quantitative analyses had two elements. We carried out a meta-regression to compare interventions tailored to address identified barriers to change with either no interventions or an intervention(s) not tailored to the barriers.We carried out heterogeneity analyses to investigate sources of differences in the effectiveness of interventions. These included the effects of: risk of bias, concealment of allocation, rigour of barrier analysis, use of theory, complexity of interventions, and the reported presence of administrative constraints. Main results We included 26 studies comparing an intervention tailored to address identified barriers to change to no intervention or an intervention(s) not tailored to the barriers. The effect sizes of these studies varied both across and within studies. Twelve studies provided enough data to be included in the quantitative analysis. A meta-regression model was fitted adjusting for baseline odds by fitting it as a covariate, to obtain the pooled odds ratio of 1.54 (95% CI, 1.16 to 2.01) from Bayesian analysis and 1.52 (95% CI, 1.27 to 1.82, P < 0.001) from classical analysis. The heterogeneity analyses found that no study attributes investigated were significantly associated with effectiveness of the interventions. Authors’ conclusions Interventions tailored to prospectively identified barriers are more likely to improve professional practice than no intervention or dissemination of guidelines. However, the methods used to identify barriers and tailor interventions to address them need further development. Research is required to determine the effectiveness of tailored interventions in comparison with other interventions. PMID:20238340

Models and applications for space weather forecasting and analysis at the Community Coordinated Modeling Center.

NASA Astrophysics Data System (ADS)

Kuznetsova, Maria

The Community Coordinated Modeling Center (CCMC, http://ccmc.gsfc.nasa.gov) was established at the dawn of the new millennium as a long-term flexible solution to the problem of transition of progress in space environment modeling to operational space weather forecasting. CCMC hosts an expanding collection of state-of-the-art space weather models developed by the international space science community. Over the years the CCMC acquired the unique experience in preparing complex models and model chains for operational environment and developing and maintaining custom displays and powerful web-based systems and tools ready to be used by researchers, space weather service providers and decision makers. In support of space weather needs of NASA users CCMC is developing highly-tailored applications and services that target specific orbits or locations in space and partnering with NASA mission specialists on linking CCMC space environment modeling with impacts on biological and technological systems in space. Confidence assessment of model predictions is an essential element of space environment modeling. CCMC facilitates interaction between model owners and users in defining physical parameters and metrics formats relevant to specific applications and leads community efforts to quantify models ability to simulate and predict space environment events. Interactive on-line model validation systems developed at CCMC make validation a seamless part of model development circle. The talk will showcase innovative solutions for space weather research, validation, anomaly analysis and forecasting and review on-going community-wide model validation initiatives enabled by CCMC applications.

Experimental evaluation of tailored chordwise deformable box beam and correlation with theory

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Zischka, Peter J.; Chang, Stephen; Fentress, Michael L.; Ambur, Damodar R.

1993-01-01

This paper describes an experimental methodology based upon the use of a flexible sling support and load application system that has been created and utilized to evaluate a box beam which incorporates an elastic tailoring technology. The design technique used here for elastically tailoring the composite box beam structure is to produce exaggerated chordwise camber deformation of substantial magnitude to be of practical use in the new composite aircraft wings. The traditional methods such as a four-point bend test to apply constant bending moment with rigid fixtures inhibits the designed chordwise deformation from occurring and, hence, the need for the new test method. The experimental results for global camber and spanwise bending compliances correlate well with theoretical predictions based on a beam-like model.

A Coulomb explosion strategy to tailor the nano-architecture of α-MoO3 nanobelts and an insight into its intrinsic mechanism.

PubMed

Zhang, Junli; Zhu, Liu; Yang, Yu; Yong, Huadong; Zhang, Junwei; Peng, Yong; Fu, Jiecai

2018-05-03

Tailoring the nanoarchitecture of materials is significant for the development of nanoscience and nanotechnology. To date, one of the most powerful strategies is convergent electron beam irradiation (EBI). However, only two main functions of knock-on or atomic displacement have been achieved to date. In this study, a Coulomb explosion phenomenon was found to occur in α-MoO3 nanobelts (NBs) under electron beam irradiation, which was controllable and could be used to efficiently create nanostructures such as holes, gaps, and other atomic/nanometer patterns on a single α-MoO3 NB. Theoretical simulations starting from the charging state, charging rate to the threshold time of Coulomb explosion reveal that the Coulomb explosion phenomenon should result from positive charging. The results also show that the multiple charged regions are quickly fragmented, and the monolayered α-MoO3 pieces can then be peeled off once the Coulombic repulsion is sufficient to break the Mo-O bonds in the crystalline structure. It is believed that this efficient and versatile strategy may open up a new avenue to tailor α-MoO3 NBs or other kind of transition metal dichalcogenides via the Coulomb explosion effect.

Tailored Emission Properties of ZnTe/ZnTe:O/ZnO Core-Shell Nanowires Coupled with an Al Plasmonic Bowtie Antenna Array.

PubMed

Nie, Kui-Ying; Tu, Xuecou; Li, Jing; Chen, Xuanhu; Ren, Fang-Fang; Zhang, Guo-Gang; Kang, Lin; Gu, Shulin; Zhang, Rong; Wu, Peiheng; Zheng, Youdou; Tan, Hark Hoe; Jagadish, Chennupati; Ye, Jiandong

2018-06-14

The ability to manipulate light-matter interaction in semiconducting nanostructures is fascinating for implementing functionalities in advanced optoelectronic devices. Here, we report the tailoring of radiative emissions in a ZnTe/ZnTe:O/ZnO core-shell single nanowire coupled with a one-dimensional aluminum bowtie antenna array. The plasmonic antenna enables changes in the excitation and emission processes, leading to an obvious enhancement of near band edge emission (2.2 eV) and subgap excitonic emission (1.7 eV) bound to intermediate band states in a ZnTe/ZnTe:O/ZnO core-shell nanowire as well as surface-enhanced Raman scattering at room temperature. The increase of emission decay rate in the nanowire/antenna system, probed by time-resolved photoluminescence spectroscopy, yields an observable enhancement of quantum efficiency induced by local surface plasmon resonance. Electromagnetic simulations agree well with the experimental observations, revealing a combined effect of enhanced electric near-field intensity and the improvement of quantum efficiency in the ZnTe/ZnTe:O/ZnO nanowire/antenna system. The capability of tailoring light-matter interaction in low-efficient emitters may provide an alternative platform for designing advanced optoelectronic and sensing devices with precisely controlled response.

Irrigated plantations and their effect on energy fluxes in a semi-arid region of Israel - a validated 3-D model simulation

NASA Astrophysics Data System (ADS)

Branch, O.; Warrach-Sagi, K.; Wulfmeyer, V.; Cohen, S.

2013-11-01

A large irrigated biomass plantation was simulated in an arid region of Israel within the WRF-NOAH coupled atmospheric/land surface model in order to assess land surface atmosphere feedbacks. Simulations were carried out for the 2012 summer season (JJA). The irrigated plantations were simulated by prescribing tailored land surface and soil/plant parameters, and by implementing a newly devised, controllable sub-surface irrigation scheme within NOAH. Two model cases studies were considered and compared - Impact and Control. Impact simulates a hypothetical 10 km × 10 km irrigated plantation. Control represents a baseline and uses the existing land surface data, where the predominant land surface type in the area is bare desert soil. Central to the study is model validation against observations collected for the study over the same period. Surface meteorological and soil observations were made at a desert site and from a 400 ha Simmondsia chinensis (Jojoba) plantation. Control was validated with data from the desert, and Impact from the Jojoba. Finally, estimations were made of the energy balance, applying two Penman-Monteith based methods along with observed meteorological data. These estimations were compared with simulated energy fluxes. Control simulates the daytime desert surface 2 m air temperatures (T2) with less than 0.2 °C deviation and the vapour pressure deficit (VPD) to within 0.25 hPa. Desert wind speed (U) is simulated to within 0.5 m s-1 and the net surface radiation (Rn) to 25 W m-2. Soil heat flux (G) is not so accurately simulated by Control (up to 30 W m-2 deviation) and 5 cm soil temperatures (ST5) are simulated to within 1.5 °C. Impact simulates daytime T2 over irrigated vegetation to within 1-1.5 °C, the VPD to 0.5 hPa, Rn to 50 W m-2 and ST5 to within 2 °C. Simulated Impact G deviates up to 40 W m-2, highlighting a need for re-parameterisation or better soil classification, but the overall contribution to the energy balance is small (5-6%). During the night, significant T2 and ST5 cold biases of 2-4 °C are present. Diurnal latent heat values from WRF Impact correspond closely with Penman-Monteith estimation curves, and latent heat magnitudes of 160 W m-2 over the plantation are usual. Simulated plantation sensible heat fluxes are high (450 W m-2) - around 100-110 W m-2 higher than over the surrounding desert. The high relative HFX over the vegetation, driven by high Rn and high surface resistances, indicate that low Bowen ratios should not necessarily be assumed when irrigated plantations are implemented in, and optimized for arid regions. Furthermore, the high plantation T2 magnitudes highlight the importance of considering diurnal dynamics, which drive the evolution of boundary layers, rather than only on daily mean statistics which often indicate an irrigation cooling effect.

Computer-Tailored Intervention for Juvenile Offenders

PubMed Central

LEVESQUE, DEBORAH A.; JOHNSON, JANET L.; WELCH, CAROL A.; PROCHASKA, JANICE M.; FERNANDEZ, ANNE C.

2012-01-01

Studies assessing the efficacy of juvenile justice interventions show small effects on recidivism and other outcomes. This paper describes the development of a prototype of a multimedia computer-tailored intervention (“Rise Above Your Situation”or RAYS) that relies on an evidence-based model of behavior change, the Transtheoretical Model, and expert system technology to deliver assessments, feedback, printed reports, and counselor reports with intervention ideas. In a feasibility test involving 60 system-involved youths and their counselors, evaluations of the program were favorable: 91.7% of youths agreed that the program could help them make positive changes, and 86.7% agreed that the program could give their counselor helpful information about them. PMID:23264754

Modeling US Adult Obesity Trends: A System Dynamics Model for Estimating Energy Imbalance Gap

PubMed Central

Rahmandad, Hazhir; Huang, Terry T.-K.; Bures, Regina M.; Glass, Thomas A.

2014-01-01

Objectives. We present a system dynamics model that quantifies the energy imbalance gap responsible for the US adult obesity epidemic among gender and racial subpopulations. Methods. We divided the adult population into gender–race/ethnicity subpopulations and body mass index (BMI) classes. We defined transition rates between classes as a function of metabolic dynamics of individuals within each class. We estimated energy intake in each BMI class within the past 4 decades as a multiplication of the equilibrium energy intake of individuals in that class. Through calibration, we estimated the energy gap multiplier for each gender–race–BMI group by matching simulated BMI distributions for each subpopulation against national data with maximum likelihood estimation. Results. No subpopulation showed a negative or zero energy gap, suggesting that the obesity epidemic continues to worsen, albeit at a slower rate. In the past decade the epidemic has slowed for non-Hispanic Whites, is starting to slow for non-Hispanic Blacks, but continues to accelerate among Mexican Americans. Conclusions. The differential energy balance gap across subpopulations and over time suggests that interventions should be tailored to subpopulations’ needs. PMID:24832405

Chemical fingerprints of cold physical plasmas - an experimental and computational study using cysteine as tracer compound.

PubMed

Lackmann, J-W; Wende, K; Verlackt, C; Golda, J; Volzke, J; Kogelheide, F; Held, J; Bekeschus, S; Bogaerts, A; Schulz-von der Gathen, V; Stapelmann, K

2018-05-16

Reactive oxygen and nitrogen species released by cold physical plasma are being proposed as effectors in various clinical conditions connected to inflammatory processes. As these plasmas can be tailored in a wide range, models to compare and control their biochemical footprint are desired to infer on the molecular mechanisms underlying the observed effects and to enable the discrimination between different plasma sources. Here, an improved model to trace short-lived reactive species is presented. Using FTIR, high-resolution mass spectrometry, and molecular dynamics computational simulation, covalent modifications of cysteine treated with different plasmas were deciphered and the respective product pattern used to generate a fingerprint of each plasma source. Such, our experimental model allows a fast and reliable grading of the chemical potential of plasmas used for medical purposes. Major reaction products were identified to be cysteine sulfonic acid, cystine, and cysteine fragments. Less-abundant products, such as oxidized cystine derivatives or S-nitrosylated cysteines, were unique to different plasma sources or operating conditions. The data collected point at hydroxyl radicals, atomic O, and singlet oxygen as major contributing species that enable an impact on cellular thiol groups when applying cold plasma in vitro or in vivo.

Line-source excitation of realistic conformal metasurface cloaks

NASA Astrophysics Data System (ADS)

Padooru, Yashwanth R.; Yakovlev, Alexander B.; Chen, Pai-Yen; Alù, Andrea

2012-11-01

Following our recently introduced analytical tools to model and design conformal mantle cloaks based on metasurfaces [Padooru et al., J. Appl. Phys. 112, 034907 (2012)], we investigate their performance and physical properties when excited by an electric line source placed in their close proximity. We consider metasurfaces formed by 2-D arrays of slotted (meshes and Jerusalem cross slots) and printed (patches and Jerusalem crosses) sub-wavelength elements. The electromagnetic scattering analysis is carried out using a rigorous analytical model, which utilizes the two-sided impedance boundary conditions at the interface of the sub-wavelength elements. It is shown that the homogenized grid-impedance expressions, originally derived for planar arrays of sub-wavelength elements and plane-wave excitation, may be successfully used to model and tailor the surface reactance of cylindrical conformal mantle cloaks illuminated by near-field sources. Our closed-form analytical results are in good agreement with full-wave numerical simulations, up to sub-wavelength distances from the metasurface, confirming that mantle cloaks may be very effective to suppress the scattering of moderately sized objects, independent of the type of excitation and point of observation. We also discuss the dual functionality of these metasurfaces to boost radiation efficiency and directivity from confined near-field sources.

Performance-based comparison of neonatal intubation training outcomes: simulator and live animal.

PubMed

Andreatta, Pamela B; Klotz, Jessica J; Dooley-Hash, Suzanne L; Hauptman, Joe G; Biddinger, Bea; House, Joseph B

2015-02-01

The purpose of this article was to establish psychometric validity evidence for competency assessment instruments and to evaluate the impact of 2 forms of training on the abilities of clinicians to perform neonatal intubation. To inform the development of assessment instruments, we conducted comprehensive task analyses including each performance domain associated with neonatal intubation. Expert review confirmed content validity. Construct validity was established using the instruments to differentiate between the intubation performance abilities of practitioners (N = 294) with variable experience (novice through expert). Training outcomes were evaluated using a quasi-experimental design to evaluate performance differences between 294 subjects randomly assigned to 1 of 2 training groups. The training intervention followed American Heart Association Pediatric Advanced Life Support and Neonatal Resuscitation Program protocols with hands-on practice using either (1) live feline or (2) simulated feline models. Performance assessment data were captured before and directly following the training. All data were analyzed using analysis of variance with repeated measures and statistical significance set at P < .05. Content validity, reliability, and consistency evidence were established for each assessment instrument. Construct validity for each assessment instrument was supported by significantly higher scores for subjects with greater levels of experience, as compared with those with less experience (P = .000). Overall, subjects performed significantly better in each assessment domain, following the training intervention (P = .000). After controlling for experience level, there were no significant differences among the cognitive, performance, and self-efficacy outcomes between clinicians trained with live animal model or simulator model. Analysis of retention scores showed that simulator trained subjects had significantly higher performance scores after 18 weeks (P = .01) and 52 weeks (P = .001) and cognitive scores after 52 weeks (P = .001). The results of this study demonstrate the feasibility of using valid, reliable assessment instruments to assess clinician competency and self-efficacy in the performance of neonatal intubation. We demonstrated the relative equivalency of live animal and simulation-based models as tools to support acquisition of neonatal intubation skills. Retention of performance abilities was greater for subjects trained using the simulator, likely because it afforded greater opportunity for repeated practice. Outcomes in each assessment area were influenced by the previous intubation experience of participants. This suggests that neonatal intubation training programs could be tailored to the level of provider experience to make efficient use of time and educational resources. Future research focusing on the uses of assessment in the applied clinical environment, as well as identification of optimal training cycles for performance retention, is merited.

Crack propagation and arrest in CFRP materials with strain softening regions

NASA Astrophysics Data System (ADS)

Dilligan, Matthew Anthony

Understanding the growth and arrest of cracks in composite materials is critical for their effective utilization in fatigue-sensitive and damage susceptible applications such as primary aircraft structures. Local tailoring of the laminate stack to provide crack arrest capacity intermediate to major structural components has been investigated and demonstrated since some of the earliest efforts in composite aerostructural design, but to date no rigorous model of the crack arrest mechanism has been developed to allow effective sizing of these features. To address this shortcoming, the previous work in the field is reviewed, with particular attention to the analysis methodologies proposed for similar arrest features. The damage and arrest processes active in such features are investigated, and various models of these processes are discussed and evaluated. Governing equations are derived based on a proposed mechanistic model of the crack arrest process. The derived governing equations are implemented in a numerical model, and a series of simulations are performed to ascertain the general characteristics of the proposed model and allow qualitative comparison to existing experimental results. The sensitivity of the model and the arrest process to various parameters is investigated, and preliminary conclusions regarding the optimal feature configuration are developed. To address deficiencies in the available material and experimental data, a series of coupon tests are developed and conducted covering a range of arrest zone configurations. Test results are discussed and analyzed, with a particular focus on identification of the proposed failure and arrest mechanisms. Utilizing the experimentally derived material properties, the tests are reproduced with both the developed numerical tool as well as a FEA-based implementation of the arrest model. Correlation between the simulated and experimental results is analyzed, and future avenues of investigation are identified. Utilizing the developed model, a sensitivity study is conducted to assess the current proposed arrest configuration. Optimum distribution and sizing of the arrest zones is investigated, and general design guidelines are developed.

The effect of feedback on attitudes toward cellular phone use while driving: a comparison between novice and experienced drivers.

PubMed

Wang, Ying; Zhang, Wei; Reimer, Bryan; Lavallière, Martin; Lesch, Mary F; Horrey, William J; Wu, Su

2010-10-01

To assess and compare the effectiveness of a simulation-based approach to change drivers' attitudes toward cellular phone use while driving for younger novice and older experienced drivers. Thirty young novice drivers were tested on a driving simulator in this study. Their performance in dealing with driving tasks was measured for a single task and dual tasks (driving while using a cellular phone) and compared to 30 older experienced drivers tested previously in another study. Half of the younger drivers received video-based feedback regarding their performance in the two conditions, with an emphasis on the contribution of dual-tasking to degraded performance. The other half did not receive any performance feedback. Drivers' perceptions and attitudes toward cellular phone use while driving were investigated by a questionnaire before, immediately after, and again one month following the simulation-based testing for both groups of drivers (feedback; no feedback). All drivers (including the novice and experienced) reported willingness to engage in driving and talking on a cellular phone in some situations. The simulated driving test showed that a secondary cellular phone task significantly degraded driving performance for both the novice and the experienced drivers. The feedback treatment group (both the novice and the experienced) showed significant attitude change toward cellular phone use while driving (toward being less favorable), whereas the control group had no attitude change. At the one-month follow-up, the benefit of feedback was sustained more so in the experienced driver group than the novice driver group, although both groups still benefited relative to the control conditions. Simulation-based feedback training is promising for short-term education in novice drivers but may be more effective in the long-term for drivers with higher levels of experience. Drivers with more experience appear to have a greater, more sustained benefit from the training than novices. Additional research is needed to better tailor this education method toward novice drivers. Simulation-based participative education approach through feedback needs to be better tailored toward novice drivers.

Incorporating population viability models into species status assessment and listing decisions under the U.S. Endangered Species Act

USGS Publications Warehouse

McGowan, Conor P.; Allan, Nathan; Servoss, Jeff; Hedwall, Shaula J.; Wooldridge, Brian

2017-01-01

Assessment of a species' status is a key part of management decision making for endangered and threatened species under the U.S. Endangered Species Act. Predicting the future state of the species is an essential part of species status assessment, and projection models can play an important role in developing predictions. We built a stochastic simulation model that incorporated parametric and environmental uncertainty to predict the probable future status of the Sonoran desert tortoise in the southwestern United States and North Central Mexico. Sonoran desert tortoise was a Candidate species for listing under the Endangered Species Act, and decision makers wanted to use model predictions in their decision making process. The model accounted for future habitat loss and possible effects of climate change induced droughts to predict future population growth rates, abundances, and quasi-extinction probabilities. Our model predicts that the population will likely decline over the next few decades, but there is very low probability of quasi-extinction less than 75 years into the future. Increases in drought frequency and intensity may increase extinction risk for the species. Our model helped decision makers predict and characterize uncertainty about the future status of the species in their listing decision. We incorporated complex ecological processes (e.g., climate change effects on tortoises) in transparent and explicit ways tailored to support decision making processes related to endangered species.

Localization Algorithm with On-line Path Loss Estimation and Node Selection

PubMed Central

Bel, Albert; Vicario, José López; Seco-Granados, Gonzalo

2011-01-01

RSS-based localization is considered a low-complexity algorithm with respect to other range techniques such as TOA or AOA. The accuracy of RSS methods depends on the suitability of the propagation models used for the actual propagation conditions. In indoor environments, in particular, it is very difficult to obtain a good propagation model. For that reason, we present a cooperative localization algorithm that dynamically estimates the path loss exponent by using RSS measurements. Since the energy consumption is a key point in sensor networks, we propose a node selection mechanism to limit the number of neighbours of a given node that are used for positioning purposes. Moreover, the selection mechanism is also useful to discard bad links that could negatively affect the performance accuracy. As a result, we derive a practical solution tailored to the strict requirements of sensor networks in terms of complexity, size and cost. We present results based on both computer simulations and real experiments with the Crossbow MICA2 motes showing that the proposed scheme offers a good trade-off in terms of position accuracy and energy efficiency. PMID:22163992

Enhanced cellular transport and drug targeting using dendritic nanostructures

NASA Astrophysics Data System (ADS)

Kannan, R. M.; Kolhe, Parag; Kannan, Sujatha; Lieh-Lai, Mary

2003-03-01

Dendrimers and hyperbranched polymers possess highly branched architectures, with a large number of controllable, tailorable, peripheral' functionalities. Since the surface chemistry of these materials can be modified with relative ease, these materials have tremendous potential in targeted drug delivery. The large density of end groups can also be tailored to create enhanced affinity to targeted cells, and can also encapsulate drugs and deliver them in a controlled manner. We are developing tailor-modified dendritic systems for drug delivery. Synthesis, drug/ligand conjugation, in vitro cellular and in vivo drug delivery, and the targeting efficiency to the cell are being studied systematically using a wide variety of experimental tools. Results on PAMAM dendrimers and polyol hyperbranched polymers suggest that: (1) These materials complex/encapsulate a large number of drug molecules and release them at tailorable rates; (2) The drug-dendrimer complex is transported very rapidly through a A549 lung epithelial cancel cell line, compared to free drug, perhaps by endocytosis. The ability of the drug-dendrimer-ligand complexes to target specific asthma and cancer cells is currently being explored using in vitro and in vivo animal models.

The implementation of ergonomics advice and the stage of change approach.

PubMed

Rothmore, Paul; Aylward, Paul; Karnon, Jonathan

2015-11-01

This paper investigates the implementation of injury prevention advice tailored according to the Stage of Change (SOC) approach. The managers of 25 workgroups, drawn from medium to large companies across a wide range of occupational sectors were allocated to receive either standard ergonomics advice or ergonomics advice tailored according to the workgroup SOC. Twelve months after the advice was provided, semi-structured interviews were conducted with each manager. In a multivariate model, managers who had received tailored advice were found to have implemented significantly more of the recommended changes (IRR = 1.68, 95% CI 1.07-2.63) and more "additional" changes (IRR = 1.90, 95% CI 1.12-3.20). Qualitative analysis identified that the key barriers and facilitators to the implementation of changes were largely related to worker resistance to change and the attitudes of senior managers towards health and safety. The findings from this study suggest that the implementation of ergonomics recommendations may be improved by the tailoring of advice according to SOC principles. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships

PubMed Central

Gronau, Greta; Krishnaji, Sreevidhya T.; Kinahan, Michelle E.; Giesa, Tristan; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

2013-01-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. PMID:22938765

A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships.

PubMed

Gronau, Greta; Krishnaji, Sreevidhya T; Kinahan, Michelle E; Giesa, Tristan; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

2012-11-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials - elastin, silk, and collagen - and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. Copyright © 2012 Elsevier Ltd. All rights reserved.

Microsatellites as targets of natural selection.

PubMed

Haasl, Ryan J; Payseur, Bret A

2013-02-01

The ability to survey polymorphism on a genomic scale has enabled genome-wide scans for the targets of natural selection. Theory that connects patterns of genetic variation to evidence of natural selection most often assumes a diallelic locus and no recurrent mutation. Although these assumptions are suitable to selection that targets single nucleotide variants, fundamentally different types of mutation generate abundant polymorphism in genomes. Moreover, recent empirical results suggest that mutationally complex, multiallelic loci including microsatellites and copy number variants are sometimes targeted by natural selection. Given their abundance, the lack of inference methods tailored to the mutational peculiarities of these types of loci represents a notable gap in our ability to interrogate genomes for signatures of natural selection. Previous theoretical investigations of mutation-selection balance at multiallelic loci include assumptions that limit their application to inference from empirical data. Focusing on microsatellites, we assess the dynamics and population-level consequences of selection targeting mutationally complex variants. We develop general models of a multiallelic fitness surface, a realistic model of microsatellite mutation, and an efficient simulation algorithm. Using these tools, we explore mutation-selection-drift equilibrium at microsatellites and investigate the mutational history and selective regime of the microsatellite that causes Friedreich's ataxia. We characterize microsatellite selective events by their duration and cost, note similarities to sweeps from standing point variation, and conclude that it is premature to label microsatellites as ubiquitous agents of efficient adaptive change. Together, our models and simulation algorithm provide a powerful framework for statistical inference, which can be used to test the neutrality of microsatellites and other multiallelic variants.

Microsatellites as Targets of Natural Selection

PubMed Central

Haasl, Ryan J.; Payseur, Bret A.

2013-01-01

The ability to survey polymorphism on a genomic scale has enabled genome-wide scans for the targets of natural selection. Theory that connects patterns of genetic variation to evidence of natural selection most often assumes a diallelic locus and no recurrent mutation. Although these assumptions are suitable to selection that targets single nucleotide variants, fundamentally different types of mutation generate abundant polymorphism in genomes. Moreover, recent empirical results suggest that mutationally complex, multiallelic loci including microsatellites and copy number variants are sometimes targeted by natural selection. Given their abundance, the lack of inference methods tailored to the mutational peculiarities of these types of loci represents a notable gap in our ability to interrogate genomes for signatures of natural selection. Previous theoretical investigations of mutation-selection balance at multiallelic loci include assumptions that limit their application to inference from empirical data. Focusing on microsatellites, we assess the dynamics and population-level consequences of selection targeting mutationally complex variants. We develop general models of a multiallelic fitness surface, a realistic model of microsatellite mutation, and an efficient simulation algorithm. Using these tools, we explore mutation-selection-drift equilibrium at microsatellites and investigate the mutational history and selective regime of the microsatellite that causes Friedreich’s ataxia. We characterize microsatellite selective events by their duration and cost, note similarities to sweeps from standing point variation, and conclude that it is premature to label microsatellites as ubiquitous agents of efficient adaptive change. Together, our models and simulation algorithm provide a powerful framework for statistical inference, which can be used to test the neutrality of microsatellites and other multiallelic variants. PMID:23104080

Computer-assisted midface reconstruction in Treacher Collins syndrome part 1: skeletal reconstruction.

PubMed

Herlin, Christian; Doucet, Jean Charles; Bigorre, Michèle; Khelifa, Hatem Cheikh; Captier, Guillaume

2013-10-01

Treacher Collins syndrome (TCS) is a severe and complex craniofacial malformation affecting the facial skeleton and soft tissues. The palate as well as the external and middle ear are also affected, but his prognosis is mainly related to neonatal airway management. Methods of zygomatico-orbital reconstruction are numerous and currently use primarily autologous bone, lyophilized cartilage, alloplastic implants, or even free flaps. This work developed a reliable "customized" method of zygomatico-orbital bony reconstruction using a generic reference model tailored to each patient. From a standard computed tomography (CT) acquisition, we studied qualitatively and quantitatively the skeleton of four individuals with TCS whose age was between 6 and 20 years. In parallel, we studied 40 controls at the same age to obtain a morphometric database of reference. Surgical simulation was carried out using validated software used in craniofacial surgery. The zygomatic hypoplasia was very important quantitatively and morphologically in all TCS individuals. Orbital involvement was mainly morphological, with volumes comparable to the controls of the same age. The control database was used to create three-dimensional computer models to be used in the manufacture of cutting guides for autologous cranial bone grafts or alloplastic implants perfectly adapted to each patient's morphology. Presurgical simulation was also used to fabricate custom positioning guides permitting a simple and reliable surgical procedure. The use of a virtual database allowed us to design a reliable and reproducible skeletal reconstruction method for this rare and complex syndrome. The use of presurgical simulation tools seem essential in this type of craniofacial malformation to increase the reliability of these uncommon and complex surgical procedures, and to ensure stable results over time. Copyright © 2013 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

In situ evaluation of density, viscosity, and thickness of adsorbed soft layers by combined surface acoustic wave and surface plasmon resonance.

PubMed

Francis, Laurent A; Friedt, Jean-Michel; Zhou, Cheng; Bertrand, Patrick

2006-06-15

We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity, and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold-coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is monitored simultaneously in a single setup for the real-time and label-free measurement of the parameters of adsorbed soft layers, which means for layers with a predominant viscous behavior. A general mathematical modeling in equivalent viscoelastic transmission lines is presented to determine the correlation between experimental SAW signal shifts and the waveguide structure including the presence of the adsorbed layer and the supporting liquid from which it segregates. A methodology is presented to identify from SAW and SPR simulations the parameters representatives of the soft layer. During the absorption of a soft layer, thickness or viscosity changes are observed in the experimental ratio of the SAW signal attenuation to the SAW signal phase and are correlated with the theoretical model. As application example, the simulation method is applied to study the thermal behavior of physisorbed PNIPAAm, a polymer whose conformation is sensitive to temperature, under a cycling variation of temperature between 20 and 40 degrees C. Under the assumption of the bulk density and the bulk refractive index of PNIPAAm, thickness and viscosity of the film are obtained from simulations; the viscosity is correlated to the solvent content of the physisorbed layer.

Battery Energy Storage Systems to Mitigate the Variability of Photovoltaic Power Generation

NASA Astrophysics Data System (ADS)

Gurganus, Heath Alan

Methods of generating renewable energy such as through solar photovoltaic (PV) cells and wind turbines offer great promise in terms of a reduced carbon footprint and overall impact on the environment. However, these methods also share the attribute of being highly stochastic, meaning they are variable in such a way that is difficult to forecast with sufficient accuracy. While solar power currently constitutes a small amount of generating potential in most regions, the cost of photovoltaics continues to decline and a trend has emerged to build larger PV plants than was once feasible. This has brought the matter of increased variability to the forefront of research in the industry. Energy storage has been proposed as a means of mitigating this increased variability --- and thus reducing the need to utilize traditional spinning reserves --- as well as offering auxiliary grid services such as peak-shifting and frequency control. This thesis addresses the feasibility of using electrochemical storage methods (i.e. batteries) to decrease the ramp rates of PV power plants. By building a simulation of a grid-connected PV array and a typical Battery Energy Storage System (BESS) in the NetLogo simulation environment, I have created a parameterized tool that can be tailored to describe almost any potential PV setup. This thesis describes the design and function of this model, and makes a case for the accuracy of its measurements by comparing its simulated output to that of well-documented real world sites. Finally, a set of recommendations for the design and operational parameters of such a system are then put forth based on the results of several experiments performed using this model.

The Detectability of Exo-Earths and Super-Earths via Resonant Signatures in Exozodiacal Clouds

NASA Technical Reports Server (NTRS)

Stark, Christopher C.; Kuchner, Marc

2008-01-01

Directly imaging extrasolar terrestrial planets necessarily means contending with the astrophysical noise of exozodiacal dust and the resonant structures created by these planets in exozodiacal clouds. Using a custom tailored hybrid symplectic integrator we have constructed 120 models of resonant structures created by exo-Earths and super-Earths on circular orbits interacting with collisionless steady-state dust clouds around a Sun-like star. Our models include enough particles to overcome the limitations of previous simulations that were often dominated by a handful of long-lived particles, allowing us to quantitatively study the contrast of the resulting ring structures. We found that in the case of a planet on a circular orbit, for a given star and dust source distribution, the morphology and contrast of the resonant structures depend on only two parameters: planet mass and (square root)ap/Beta, where ap is the planet's semi-major axis and Beta is the ratio of radiation pressure force to gravitational force on a grain. We constructed multiple-grain-size models of 25,000 particles each and showed that in a collisionless cloud, a Dohnanyi crushing law yields a resonant ring whose optical depth is dominated by the largest grains in the distribution, not the smallest. We used these models to estimate the mass of the lowest-mass planet that can be detected through observations of a resonant ring for a variety of assumptions about the dust cloud and the planet's orbit. Our simulations suggest that planets with mass as small as a few times Mars' mass may produce detectable signatures in debris disks at ap greater than or approximately equal to 10 AU.

Development of a Screening Model for Design and Costing of an Innovative Tailored Granular Activated Carbon Technology to Treat Perchlorate-Contaminated Water

DTIC Science & Technology

2007-03-01

column experiments were used to obtain model parameters . Cost data used in the model were based on conventional GAC installations, as modified to...43 Calculation of Parameters ...66 Determination of Parameter Values

Modelling of Remediation Technologies at the Performance Assessment Level

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

Parton, N.J.; Paksy, A.; Eden, L.

2008-07-01

This paper presents approaches to modelling three different remediation technologies that are designed to support site operators during their assessment of remediation options for the management of radioactively contaminated land on nuclear licensed sites in the UK. The three selected technologies were soil washing, permeable reactive barrier and in-situ stabilisation. The potential exists to represent electrokinetics in the future. These technologies were chosen because it was considered that enough information already existed for site operators to assess mature technologies such as soil dig and disposal and groundwater pump and treat. Using the software code GoldSim, the models have been designedmore » to allow site operators to make both a reasonable scoping level assessment of the viability of treatment and understand the cost-benefits of each technology. For soil washing, a standard soil leaching technique was simulated whereby the soil is separated into fines and oversize particles, and subsequently a chemical reagent is used to strip contamination off the soil. The cost benefit of this technology in terms of capital costs for the plant and materials, operational costs and waste disposal costs can also be assessed. The permeable reactive barrier (PRB) model can represent either a continuous wall or a funnel and gate system. The model simulates the transport of contaminants through the reactive material contained in the PRB. The outputs from the model include concentration of contaminants in the groundwater flow downstream of the PRB, mass of contaminants retained by the PRB, total mass and volume of waste and the various costs associated with the PRB remediation technology. The in-situ stabilisation (ISS) model has the capability to represent remediation by the addition of reagents that immobilise contaminated soil. The model simulates the release of contaminants from the treated soil over time. Performance is evaluated by comparison of the mass of contaminants retained and released to the area outside the treatment zone. Other outputs include amount of spoil generated (to be treated as waste) and the costs associated with the application of the ISS technology. These models are aimed to help users select a technology or technologies that are potentially suitable for a particular site. It is anticipated that they will prompt the user to undertake more detailed assessments to tailor the selected technology to their site specific circumstances and contaminated land conditions. (author)« less

Responsive copolymers for enhanced petroleum recovery

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

McCormick, Charles; Hester, Roger

The objectives of this work were to: synthesize responsive, amphiphilic systems; characterize molecular structure and solution behavior; measure rheological properties of the aqueous fluids including behavior in fixed geometry flow profiles and beds; and to tailor final polymer compositions for in situ rheology control under simulated reservoir conditions. This report focuses on the first phase of the research emphasizing synthesis and the development of photophysical techniques and rheological means of following segmental organization at the structural level.

Evaluation and optimization of the performance of frame geometries for lithium-ion battery application by computer simulation

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

Miranda, D.; Instituto Politécnico de Viana do Castelo, Viana do Castelo; Miranda, F.

2016-06-08

Tailoring battery geometries is essential for many applications, as geometry influences the delivered capacity value. Two geometries, frame and conventional, have been studied and, for a given scan rate of 330C, the square frame shows a capacity value of 305,52 Ahm{sup −2}, which is 527 times higher than the one for the conventional geometry for a constant the area of all components.

Development of a Tailored Thyroid Gland Phantom for Fine-Needle Aspiration Cytology by Three-Dimensional Printing.

PubMed

Baba, Masayuki; Matsumoto, Keitaro; Yamasaki, Naoya; Shindo, Hisakazu; Yano, Hiroshi; Matsumoto, Megumi; Otsubo, Ryota; John Lawn, Murray; Matsuo, Naoto; Yamamoto, Ikuo; Hidaka, Shigekazu; Nagayasu, Takeshi

Fine-needle aspiration cytology (FNAC) is a challenging and risky procedure for inexperienced clinicians to perform because of the proximity of the thyroid to the jugular veins, carotid arteries, and trachea. A phantom model for transfixion practice would help train clinicians in FNAC. To fabricate a tailored phantom with consideration for authenticity of size, touch, feel, and ultrasonographic (US) characteristics. A three-dimensional (3D) digital model of the human neck was reconstructed from computed tomography data of a subject. This model was used to create 3D-printed templates for various organs that require US visualization. The templates were injected with polymers that provided similar degrees of ultrasound permeability as the corresponding organs. For fabrication of each organ, the respective molds of organs, blood vessels, thyroid gland, and tumor were injected with the material. The fabricated components were then removed from the templates and colored. Individual components were then positioned in the neck mold, and agar gel was poured in. The complete phantom was then removed from the mold. Thereafter, 45 medical doctors and students performed ultrasound-guided FNAC using the phantom, following which they were queried regarding the value of the phantom. The structure, US characteristics, and elasticity of the phantom were similar to those of the human subject. In the survey, all 45 participants replied that they found the phantom useful for FNAC training, and 30 medical students professed increased interest in thyroid diseases after using the phantom. We successfully fabricated a tailored thyroid gland phantom for transfixion practice. As most of the phantom parts are injected in molds fabricated using a 3D printer, they can be easily reproduced once the molds are fabricated. This phantom is expected to serve as an effective and fully tailored training model for practicing thyroid gland transfixion. Copyright © 2017. Published by Elsevier Inc.

Numerical Simulations of a Jet–Cloud Collision and Starburst: Application to Minkowski’s Object

DOE PAGES

Fragile, P. Chris; Anninos, Peter; Croft, Steve; ...

2017-11-30

In this work, we present results of three-dimensional, multi-physics simulations of an AGN jet colliding with an intergalactic cloud. The purpose of these simulations is to assess the degree of "positive feedback," i.e., jet-induced star formation, that results. We have specifically tailored our simulation parameters to facilitate a comparison with recent observations of Minkowski's Object (MO), a stellar nursery located at the termination point of a radio jet coming from galaxy NGC 541. As shown in our simulations, such a collision triggers shocks, which propagate around and through the cloud. These shocks condense the gas and under the right circumstancesmore » may trigger cooling instabilities, creating runaway increases in density, to the point that individual clumps can become Jeans unstable. Our simulations provide information about the expected star formation rate, total mass converted to H I, H 2, and stars, and the relative velocity of the stars and gas. Finally, our results confirm the possibility of jet-induced star formation, and agree well with the observations of MO.« less

Numerical Simulations of a Jet–Cloud Collision and Starburst: Application to Minkowski’s Object

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

Fragile, P. Chris; Anninos, Peter; Croft, Steve

In this work, we present results of three-dimensional, multi-physics simulations of an AGN jet colliding with an intergalactic cloud. The purpose of these simulations is to assess the degree of "positive feedback," i.e., jet-induced star formation, that results. We have specifically tailored our simulation parameters to facilitate a comparison with recent observations of Minkowski's Object (MO), a stellar nursery located at the termination point of a radio jet coming from galaxy NGC 541. As shown in our simulations, such a collision triggers shocks, which propagate around and through the cloud. These shocks condense the gas and under the right circumstancesmore » may trigger cooling instabilities, creating runaway increases in density, to the point that individual clumps can become Jeans unstable. Our simulations provide information about the expected star formation rate, total mass converted to H I, H 2, and stars, and the relative velocity of the stars and gas. Finally, our results confirm the possibility of jet-induced star formation, and agree well with the observations of MO.« less

The Distributed Diagonal Force Decomposition Method for Parallelizing Molecular Dynamics Simulations

PubMed Central

Boršnik, Urban; Miller, Benjamin T.; Brooks, Bernard R.; Janežič, Dušanka

2011-01-01

Parallelization is an effective way to reduce the computational time needed for molecular dynamics simulations. We describe a new parallelization method, the distributed-diagonal force decomposition method, with which we extend and improve the existing force decomposition methods. Our new method requires less data communication during molecular dynamics simulations than replicated data and current force decomposition methods, increasing the parallel efficiency. It also dynamically load-balances the processors' computational load throughout the simulation. The method is readily implemented in existing molecular dynamics codes and it has been incorporated into the CHARMM program, allowing its immediate use in conjunction with the many molecular dynamics simulation techniques that are already present in the program. We also present the design of the Force Decomposition Machine, a cluster of personal computers and networks that is tailored to running molecular dynamics simulations using the distributed diagonal force decomposition method. The design is expandable and provides various degrees of fault resilience. This approach is easily adaptable to computers with Graphics Processing Units because it is independent of the processor type being used. PMID:21793007

Numerical Simulations of a Jet-Cloud Collision and Starburst: Application to Minkowski’s Object

NASA Astrophysics Data System (ADS)

Fragile, P. Chris; Anninos, Peter; Croft, Steve; Lacy, Mark; Witry, Jason W. L.

2017-12-01

We present results of three-dimensional, multi-physics simulations of an AGN jet colliding with an intergalactic cloud. The purpose of these simulations is to assess the degree of “positive feedback,” i.e., jet-induced star formation, that results. We have specifically tailored our simulation parameters to facilitate a comparison with recent observations of Minkowski’s Object (MO), a stellar nursery located at the termination point of a radio jet coming from galaxy NGC 541. As shown in our simulations, such a collision triggers shocks, which propagate around and through the cloud. These shocks condense the gas and under the right circumstances may trigger cooling instabilities, creating runaway increases in density, to the point that individual clumps can become Jeans unstable. Our simulations provide information about the expected star formation rate, total mass converted to H I, H2, and stars, and the relative velocity of the stars and gas. Our results confirm the possibility of jet-induced star formation, and agree well with the observations of MO.

SRG110 Stirling Generator Dynamic Simulator Vibration Test Results and Analysis Correlation

NASA Technical Reports Server (NTRS)

Suarez, Vicente J.; Lewandowski, Edward J.; Callahan, John

2006-01-01

The U.S. Department of Energy (DOE), Lockheed Martin (LM), and NASA Glenn Research Center (GRC) have been developing the Stirling Radioisotope Generator (SRG110) for use as a power system for space science missions. The launch environment enveloping potential missions results in a random input spectrum that is significantly higher than historical RPS launch levels and is a challenge for designers. Analysis presented in prior work predicted that tailoring the compliance at the generator-spacecraft interface reduced the dynamic response of the system thereby allowing higher launch load input levels and expanding the range of potential generator missions. To confirm analytical predictions, a dynamic simulator representing the generator structure, Stirling convertors and heat sources was designed and built for testing with and without a compliant interface. Finite element analysis was performed to guide the generator simulator and compliant interface design so that test modes and frequencies were representative of the SRG110 generator. This paper presents the dynamic simulator design, the test setup and methodology, test article modes and frequencies and dynamic responses, and post-test analysis results. With the compliant interface, component responses to an input environment exceeding the SRG110 qualification level spectrum were all within design allowables. Post-test analysis included finite element model tuning to match test frequencies and random response analysis using the test input spectrum. Analytical results were in good overall agreement with the test results and confirmed previous predictions that the SRG110 power system may be considered for a broad range of potential missions, including those with demanding launch environments.

SRG110 Stirling Generator Dynamic Simulator Vibration Test Results and Analysis Correlation

NASA Technical Reports Server (NTRS)

Lewandowski, Edward J.; Suarez, Vicente J.; Goodnight, Thomas W.; Callahan, John

2007-01-01

The U.S. Department of Energy (DOE), Lockheed Martin (LM), and NASA Glenn Research Center (GRC) have been developing the Stirling Radioisotope Generator (SRG110) for use as a power system for space science missions. The launch environment enveloping potential missions results in a random input spectrum that is significantly higher than historical radioisotope power system (RPS) launch levels and is a challenge for designers. Analysis presented in prior work predicted that tailoring the compliance at the generator-spacecraft interface reduced the dynamic response of the system thereby allowing higher launch load input levels and expanding the range of potential generator missions. To confirm analytical predictions, a dynamic simulator representing the generator structure, Stirling convertors and heat sources were designed and built for testing with and without a compliant interface. Finite element analysis was performed to guide the generator simulator and compliant interface design so that test modes and frequencies were representative of the SRG110 generator. This paper presents the dynamic simulator design, the test setup and methodology, test article modes and frequencies and dynamic responses, and post-test analysis results. With the compliant interface, component responses to an input environment exceeding the SRG110 qualification level spectrum were all within design allowables. Post-test analysis included finite element model tuning to match test frequencies and random response analysis using the test input spectrum. Analytical results were in good overall agreement with the test results and confirmed previous predictions that the SRG110 power system may be considered for a broad range of potential missions, including those with demanding launch environments.

A Flexible Latent Trait Model for Response Times in Tests

ERIC Educational Resources Information Center

Ranger, Jochen; Kuhn, Jorg-Tobias

2012-01-01

Latent trait models for response times in tests have become popular recently. One challenge for response time modeling is the fact that the distribution of response times can differ considerably even in similar tests. In order to reduce the need for tailor-made models, a model is proposed that unifies two popular approaches to response time…

The effect of tailoring a model HIV prevention program for local adolescent target audiences.

PubMed

Kennedy, M G; Mizuno, Y; Hoffman, R; Baume, C; Strand, J

2000-06-01

In five U.S. sites (Nashville, Tennessee; Newark, New Jersey; northern Virginia; Phoenix, Arizona; and Sacramento, California), HIV risk-reduction workshops were mounted as a part of the Prevention Marketing Initiative (PMI). In four of the five sites, the workshop curriculum was a version of Be Proud! Be Responsible! (Jemmott, Jemmott, & McCaffree, 1996) that had been tailored to fit the needs of local target audiences. This article describes the evaluation of the PMI workshops. Protective effects on several behavioral determinants and behavioral outcome measures were observed 1 month after the workshops. Based on the overall pattern of results, it was concluded that the PMI workshops reduced the likelihood of unprotected sex among participants. The intervention developed by Jemmott and colleagues appears to have retained its effectiveness after it was tailored to meet perceived local needs.

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

Sokół, J. M.; Kubiak, M. A.; Bzowski, M.

We have developed a refined and optimized version of the Warsaw Test Particle Model of interstellar neutral gas in the heliosphere, specially tailored for analysis of IBEX-Lo observations. The former version of the model was used in the analysis of neutral He observed by IBEX that resulted in an unexpected conclusion that the interstellar neutral He flow vector was different than previously thought and that a new population of neutral He, dubbed the Warm Breeze, exists in the heliosphere. It was also used in the reanalysis of Ulysses observations that confirmed the original findings on the flow vector, but suggestedmore » a significantly higher temperature. The present version of the model has two strains targeted for different applications, based on an identical paradigm, but differing in the implementation and in the treatment of ionization losses. We present the model in detail and discuss numerous effects related to the measurement process that potentially modify the resulting flux of ISN He observed by IBEX, and identify those of them that should not be omitted in the simulations to avoid biasing the results. This paper is part of a coordinated series of papers presenting the current state of analysis of IBEX-Lo observations of ISN He. Details of the analysis method are presented by Swaczyna et al. and results of the analysis are presented by Bzowski et al.« less

Bayesian hierarchical modeling for subject-level response classification in peptide microarray immunoassays

PubMed Central

Imholte, Gregory; Gottardo, Raphael

2017-01-01

Summary The peptide microarray immunoassay simultaneously screens sample serum against thousands of peptides, determining the presence of antibodies bound to array probes. Peptide microarrays tiling immunogenic regions of pathogens (e.g. envelope proteins of a virus) are an important high throughput tool for querying and mapping antibody binding. Because of the assay’s many steps, from probe synthesis to incubation, peptide microarray data can be noisy with extreme outliers. In addition, subjects may produce different antibody profiles in response to an identical vaccine stimulus or infection, due to variability among subjects’ immune systems. We present a robust Bayesian hierarchical model for peptide microarray experiments, pepBayes, to estimate the probability of antibody response for each subject/peptide combination. Heavy-tailed error distributions accommodate outliers and extreme responses, and tailored random effect terms automatically incorporate technical effects prevalent in the assay. We apply our model to two vaccine trial datasets to demonstrate model performance. Our approach enjoys high sensitivity and specificity when detecting vaccine induced antibody responses. A simulation study shows an adaptive thresholding classification method has appropriate false discovery rate control with high sensitivity, and receiver operating characteristics generated on vaccine trial data suggest that pepBayes clearly separates responses from non-responses. PMID:27061097

Reconstructing the hidden states in time course data of stochastic models.

PubMed

Zimmer, Christoph

2015-11-01

Parameter estimation is central for analyzing models in Systems Biology. The relevance of stochastic modeling in the field is increasing. Therefore, the need for tailored parameter estimation techniques is increasing as well. Challenges for parameter estimation are partial observability, measurement noise, and the computational complexity arising from the dimension of the parameter space. This article extends the multiple shooting for stochastic systems' method, developed for inference in intrinsic stochastic systems. The treatment of extrinsic noise and the estimation of the unobserved states is improved, by taking into account the correlation between unobserved and observed species. This article demonstrates the power of the method on different scenarios of a Lotka-Volterra model, including cases in which the prey population dies out or explodes, and a Calcium oscillation system. Besides showing how the new extension improves the accuracy of the parameter estimates, this article analyzes the accuracy of the state estimates. In contrast to previous approaches, the new approach is well able to estimate states and parameters for all the scenarios. As it does not need stochastic simulations, it is of the same order of speed as conventional least squares parameter estimation methods with respect to computational time. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Layout optimization with assist features placement by model based rule tables for 2x node random contact

NASA Astrophysics Data System (ADS)

Jun, Jinhyuck; Park, Minwoo; Park, Chanha; Yang, Hyunjo; Yim, Donggyu; Do, Munhoe; Lee, Dongchan; Kim, Taehoon; Choi, Junghoe; Luk-Pat, Gerard; Miloslavsky, Alex

2015-03-01

As the industry pushes to ever more complex illumination schemes to increase resolution for next generation memory and logic circuits, sub-resolution assist feature (SRAF) placement requirements become increasingly severe. Therefore device manufacturers are evaluating improvements in SRAF placement algorithms which do not sacrifice main feature (MF) patterning capability. There are known-well several methods to generate SRAF such as Rule based Assist Features (RBAF), Model Based Assist Features (MBAF) and Hybrid Assisted Features combining features of the different algorithms using both RBAF and MBAF. Rule Based Assist Features (RBAF) continue to be deployed, even with the availability of Model Based Assist Features (MBAF) and Inverse Lithography Technology (ILT). Certainly for the 3x nm node, and even at the 2x nm nodes and lower, RBAF is used because it demands less run time and provides better consistency. Since RBAF is needed now and in the future, what is also needed is a faster method to create the AF rule tables. The current method typically involves making masks and printing wafers that contain several experiments, varying the main feature configurations, AF configurations, dose conditions, and defocus conditions - this is a time consuming and expensive process. In addition, as the technology node shrinks, wafer process changes and source shape redesigns occur more frequently, escalating the cost of rule table creation. Furthermore, as the demand on process margin escalates, there is a greater need for multiple rule tables: each tailored to a specific set of main-feature configurations. Model Assisted Rule Tables(MART) creates a set of test patterns, and evaluates the simulated CD at nominal conditions, defocused conditions and off-dose conditions. It also uses lithographic simulation to evaluate the likelihood of AF printing. It then analyzes the simulation data to automatically create AF rule tables. It means that analysis results display the cost of different AF configurations as the space grows between a pair of main features. In summary, model based rule tables method is able to make it much easier to create rule tables, leading to faster rule-table creation and a lower barrier to the creation of more rule tables.