Theoretical and experimental studies in ultraviolet solar physics

NASA Technical Reports Server (NTRS)

Parkinson, W. H.; Reeves, E. M.

1975-01-01

The processes and parameters in atomic and molecular physics that are relevant to solar physics are investigated. The areas covered include: (1) measurement of atomic and molecular parameters that contribute to discrete and continous sources of opacity and abundance determinations in the sun; (2) line broadening and scattering phenomena; and (3) development of an ion beam spectroscopic source which is used for the measurement of electron excitation cross sections of transition region and coronal ions.

A Range Finding Protocol to Support Design for Transcriptomics Experimentation: Examples of In-Vitro and In-Vivo Murine UV Exposure

PubMed Central

van Oostrom, Conny T.; Jonker, Martijs J.; de Jong, Mark; Dekker, Rob J.; Rauwerda, Han; Ensink, Wim A.; de Vries, Annemieke; Breit, Timo M.

2014-01-01

In transcriptomics research, design for experimentation by carefully considering biological, technological, practical and statistical aspects is very important, because the experimental design space is essentially limitless. Usually, the ranges of variable biological parameters of the design space are based on common practices and in turn on phenotypic endpoints. However, specific sub-cellular processes might only be partially reflected by phenotypic endpoints or outside the associated parameter range. Here, we provide a generic protocol for range finding in design for transcriptomics experimentation based on small-scale gene-expression experiments to help in the search for the right location in the design space by analyzing the activity of already known genes of relevant molecular mechanisms. Two examples illustrate the applicability: in-vitro UV-C exposure of mouse embryonic fibroblasts and in-vivo UV-B exposure of mouse skin. Our pragmatic approach is based on: framing a specific biological question and associated gene-set, performing a wide-ranged experiment without replication, eliminating potentially non-relevant genes, and determining the experimental ‘sweet spot’ by gene-set enrichment plus dose-response correlation analysis. Examination of many cellular processes that are related to UV response, such as DNA repair and cell-cycle arrest, revealed that basically each cellular (sub-) process is active at its own specific spot(s) in the experimental design space. Hence, the use of range finding, based on an affordable protocol like this, enables researchers to conveniently identify the ‘sweet spot’ for their cellular process of interest in an experimental design space and might have far-reaching implications for experimental standardization. PMID:24823911

Computational Design of Short Pulse Laser Driven Iron Opacity Measurements at Stellar-Relevant Conditions

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

Martin, Madison E.

Opacity is a critical parameter in the simulation of radiation transport in systems such as inertial con nement fusion capsules and stars. The resolution of current disagreements between solar models and helioseismological observations would bene t from experimental validation of theoretical opacity models. Overall, short pulse laser heated iron experiments reaching stellar-relevant conditions have been designed with consideration of minimizing tamper emission and optical depth effects while meeting plasma condition and x-ray emission goals.

Phase order in superfluid helium films

NASA Astrophysics Data System (ADS)

Bramwell, Steven T.; Faulkner, Michael F.; Holdsworth, Peter C. W.; Taroni, Andrea

2015-12-01

Classic experimental data on helium films are transformed to estimate a finite-size phase order parameter that measures the thermal degradation of the condensate fraction in the two-dimensional superfluid. The order parameter is found to evolve thermally with the exponent β = 3 π^2/128 , a characteristic, in analogous magnetic systems, of the Berezinskii-Kosterlitz-Thouless (BKT) phase transition. Universal scaling near the BKT fixed point generates a collapse of experimental data on helium and ferromagnetic films, and implies new experiments and theoretical protocols to explore the phase order. These results give a striking example of experimental finite-size scaling in a critical system that is broadly relevant to two-dimensional Bose fluids. This paper is dedicated to the memory of our friend and colleague Maxime Clusel, with whom we enjoyed many stimulating discussions on related topics.

Comparative evaluation of topographical data of dental implant surfaces applying optical interferometry and scanning electron microscopy.

PubMed

Kournetas, N; Spintzyk, S; Schweizer, E; Sawada, T; Said, F; Schmid, P; Geis-Gerstorfer, J; Eliades, G; Rupp, F

2017-08-01

Comparability of topographical data of implant surfaces in literature is low and their clinical relevance often equivocal. The aim of this study was to investigate the ability of scanning electron microscopy and optical interferometry to assess statistically similar 3-dimensional roughness parameter results and to evaluate these data based on predefined criteria regarded relevant for a favorable biological response. Four different commercial dental screw-type implants (NanoTite Certain Prevail, TiUnite Brånemark Mk III, XiVE S Plus and SLA Standard Plus) were analyzed by stereo scanning electron microscopy and white light interferometry. Surface height, spatial and hybrid roughness parameters (Sa, Sz, Ssk, Sku, Sal, Str, Sdr) were assessed from raw and filtered data (Gaussian 50μm and 5μm cut-off-filters), respectively. Data were statistically compared by one-way ANOVA and Tukey-Kramer post-hoc test. For a clinically relevant interpretation, a categorizing evaluation approach was used based on predefined threshold criteria for each roughness parameter. The two methods exhibited predominantly statistical differences. Dependent on roughness parameters and filter settings, both methods showed variations in rankings of the implant surfaces and differed in their ability to discriminate the different topographies. Overall, the analyses revealed scale-dependent roughness data. Compared to the pure statistical approach, the categorizing evaluation resulted in much more similarities between the two methods. This study suggests to reconsider current approaches for the topographical evaluation of implant surfaces and to further seek after proper experimental settings. Furthermore, the specific role of different roughness parameters for the bioresponse has to be studied in detail in order to better define clinically relevant, scale-dependent and parameter-specific thresholds and ranges. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Qualitative and temporal reasoning in engine behavior analysis

NASA Technical Reports Server (NTRS)

Dietz, W. E.; Stamps, M. E.; Ali, M.

1987-01-01

Numerical simulation models, engine experts, and experimental data are used to generate qualitative and temporal representations of abnormal engine behavior. Engine parameters monitored during operation are used to generate qualitative and temporal representations of actual engine behavior. Similarities between the representations of failure scenarios and the actual engine behavior are used to diagnose fault conditions which have already occurred, or are about to occur; to increase the surveillance by the monitoring system of relevant engine parameters; and to predict likely future engine behavior.

Quantum Speed Limit of a Photon under Non-Markovian Dynamics

NASA Astrophysics Data System (ADS)

Xu, Zhen-Yu; Zhu, Shi-Qun

2014-02-01

Quantum speed limit (QSL) time under noise has drawn considerable attention in real quantum computational processes. Though non-Markovian noise is found to be able to accelerate quantum evolution for a damped Jaynes—Cummings model, in this work we show that non-Markovianity will slow down the quantum evolution of an experimentally controllable photon system. As an application, QSL time of a photon can be controlled by regulating the relevant environment parameter properly, which nearly reaches the currently available photonic experimental technology.

Influence of cutting data on surface quality when machining 17-4 PH stainless steel

NASA Astrophysics Data System (ADS)

Popovici, T. D.; Dijmărescu, M. R.

2017-08-01

The aim of the research presented in this paper is to analyse the cutting data influence upon surface quality for 17-4 PH stainless steel milling machining. The cutting regime parameters considered for the experiments were established using cutting regimes from experimental researches or from industrial conditions as basis, within the recommended ranges. The experimental program structure was determined by taking into account compatibility and orthogonality conditions, minimal use of material and labour. The machined surface roughness was determined by measuring the Ra roughness parameter, followed by surface profile registration in the form of graphics which were saved on a computer with MarSurf PS1Explorer software. Based on Ra roughness parameter, maximum values were extracted from these graphics and the influence charts of the cutting regime parameters upon surface roughness were traced using Microsoft Excel software. After a thorough analysis of the resulting data, relevant conclusions were drawn, presenting the interdependence between the surface roughness of the machined 17-4 PH samples and the cutting data variation.

Combining the ‘bottom up’ and ‘top down’ approaches in pharmacokinetic modelling: fitting PBPK models to observed clinical data

PubMed Central

Tsamandouras, Nikolaos; Rostami-Hodjegan, Amin; Aarons, Leon

2015-01-01

Pharmacokinetic models range from being entirely exploratory and empirical, to semi-mechanistic and ultimately complex physiologically based pharmacokinetic (PBPK) models. This choice is conditional on the modelling purpose as well as the amount and quality of the available data. The main advantage of PBPK models is that they can be used to extrapolate outside the studied population and experimental conditions. The trade-off for this advantage is a complex system of differential equations with a considerable number of model parameters. When these parameters cannot be informed from in vitro or in silico experiments they are usually optimized with respect to observed clinical data. Parameter estimation in complex models is a challenging task associated with many methodological issues which are discussed here with specific recommendations. Concepts such as structural and practical identifiability are described with regards to PBPK modelling and the value of experimental design and sensitivity analyses is sketched out. Parameter estimation approaches are discussed, while we also highlight the importance of not neglecting the covariance structure between model parameters and the uncertainty and population variability that is associated with them. Finally the possibility of using model order reduction techniques and minimal semi-mechanistic models that retain the physiological-mechanistic nature only in the parts of the model which are relevant to the desired modelling purpose is emphasized. Careful attention to all the above issues allows us to integrate successfully information from in vitro or in silico experiments together with information deriving from observed clinical data and develop mechanistically sound models with clinical relevance. PMID:24033787

Spectral Induced Polarization approaches to characterize reactive transport parameters and processes

NASA Astrophysics Data System (ADS)

Schmutz, M.; Franceschi, M.; Revil, A.; Peruzzo, L.; Maury, T.; Vaudelet, P.; Ghorbani, A.; Hubbard, S. S.

2017-12-01

For almost a decade, geophysical methods have explored the potential for characterization of reactive transport parameters and processes relevant to hydrogeology, contaminant remediation, and oil and gas applications. Spectral Induced Polarization (SIP) methods show particular promise in this endeavour, given the sensitivity of the SIP signature to geological material electrical double layer properties and the critical role of the electrical double layer on reactive transport processes, such as adsorption. In this presentation, we discuss results from several recent studies that have been performed to quantify the value of SIP parameters for characterizing reactive transport parameters. The advances have been realized through performing experimental studies and interpreting their responses using theoretical and numerical approaches. We describe a series of controlled experimental studies that have been performed to quantify the SIP responses to variations in grain size and specific surface area, pore fluid geochemistry, and other factors. We also model chemical reactions at the interface fluid/matrix linked to part of our experimental data set. For some examples, both geochemical modelling and measurements are integrated into a SIP physico-chemical based model. Our studies indicate both the potential of and the opportunity for using SIP to estimate reactive transport parameters. In case of well sorted granulometry of the samples, we find that the grain size characterization (as well as the permeabililty for some specific examples) value can be estimated using SIP. We show that SIP is sensitive to physico-chemical conditions at the fluid/mineral interface, including the different pore fluid dissolved ions (Na+, Cu2+, Zn2+, Pb2+) due to their different adsorption behavior. We also showed the relevance of our approach to characterize the fluid/matrix interaction for various organic contents (wetting and non-wetting oils). We also discuss early efforts to jointly interpret SIP and other information for improved estimation, approaches to use SIP information to constrain mechanistic flow and transport models, and the potential to apply some of the approaches to field scale applications.

Experimental study of oscillating plates in viscous fluids: Qualitative and quantitative analysis of the flow physics and hydrodynamic forces

NASA Astrophysics Data System (ADS)

Shrestha, Bishwash; Ahsan, Syed N.; Aureli, Matteo

2018-01-01

In this paper, we present a comprehensive experimental study on harmonic oscillations of a submerged rigid plate in a quiescent, incompressible, Newtonian, viscous fluid. The fluid-structure interaction problem is analyzed from both qualitative and quantitative perspectives via a detailed particle image velocimetry (PIV) experimental campaign conducted over a broad range of oscillation frequency and amplitude parameters. Our primary goal is to identify the effect of the oscillation characteristics on the mechanisms of fluid-structure interaction and on the dynamics of vortex shedding and convection and to elucidate the behavior of hydrodynamic forces on the oscillating structure. Towards this goal, we study the flow in terms of qualitative aspects of its pathlines, vortex shedding, and symmetry breaking phenomena and identify distinct hydrodynamic regimes in the vicinity of the oscillating structure. Based on these experimental observations, we produce a novel phase diagram detailing the occurrence of distinct hydrodynamic regimes as a function of relevant governing nondimensional parameters. We further study the hydrodynamic forces associated with each regime using both PIV and direct force measurement via a load cell. Our quantitative results on experimental estimation of hydrodynamic forces show good agreement against predictions from the literature, where numerical and semi-analytical models are available. The findings and observations in this work shed light on the relationship between flow physics, vortex shedding, and convection mechanisms and the hydrodynamic forces acting on a rigid oscillating plate and, as such, have relevance to various engineering applications, including energy harvesting devices, biomimetic robotic system, and micro-mechanical sensors and actuators.

Another look at confidence intervals: Proposal for a more relevant and transparent approach

NASA Astrophysics Data System (ADS)

Biller, Steven D.; Oser, Scott M.

2015-02-01

The behaviors of various confidence/credible interval constructions are explored, particularly in the region of low event numbers where methods diverge most. We highlight a number of challenges, such as the treatment of nuisance parameters, and common misconceptions associated with such constructions. An informal survey of the literature suggests that confidence intervals are not always defined in relevant ways and are too often misinterpreted and/or misapplied. This can lead to seemingly paradoxical behaviors and flawed comparisons regarding the relevance of experimental results. We therefore conclude that there is a need for a more pragmatic strategy which recognizes that, while it is critical to objectively convey the information content of the data, there is also a strong desire to derive bounds on model parameter values and a natural instinct to interpret things this way. Accordingly, we attempt to put aside philosophical biases in favor of a practical view to propose a more transparent and self-consistent approach that better addresses these issues.

Experimental application of simulation tools for evaluating UAV video change detection

NASA Astrophysics Data System (ADS)

Saur, Günter; Bartelsen, Jan

2015-10-01

Change detection is one of the most important tasks when unmanned aerial vehicles (UAV) are used for video reconnaissance and surveillance. In this paper, we address changes on short time scale, i.e. the observations are taken within time distances of a few hours. Each observation is a short video sequence corresponding to the near-nadir overflight of the UAV above the interesting area and the relevant changes are e.g. recently added or removed objects. The change detection algorithm has to distinguish between relevant and non-relevant changes. Examples for non-relevant changes are versatile objects like trees and compression or transmission artifacts. To enable the usage of an automatic change detection within an interactive workflow of an UAV video exploitation system, an evaluation and assessment procedure has to be performed. Large video data sets which contain many relevant objects with varying scene background and altering influence parameters (e.g. image quality, sensor and flight parameters) including image metadata and ground truth data are necessary for a comprehensive evaluation. Since the acquisition of real video data is limited by cost and time constraints, from our point of view, the generation of synthetic data by simulation tools has to be considered. In this paper the processing chain of Saur et al. (2014) [1] and the interactive workflow for video change detection is described. We have selected the commercial simulation environment Virtual Battle Space 3 (VBS3) to generate synthetic data. For an experimental setup, an example scenario "road monitoring" has been defined and several video clips have been produced with varying flight and sensor parameters and varying objects in the scene. Image registration and change mask extraction, both components of the processing chain, are applied to corresponding frames of different video clips. For the selected examples, the images could be registered, the modelled changes could be extracted and the artifacts of the image rendering considered as noise (slight differences of heading angles, disparity of vegetation, 3D parallax) could be suppressed. We conclude that these image data could be considered to be realistic enough to serve as evaluation data for the selected processing components. Future work will extend the evaluation to other influence parameters and may include the human operator for mission planning and sensor control.

Assessment of reduced-order unscented Kalman filter for parameter identification in 1-dimensional blood flow models using experimental data.

PubMed

Caiazzo, A; Caforio, Federica; Montecinos, Gino; Muller, Lucas O; Blanco, Pablo J; Toro, Eluterio F

2016-10-25

This work presents a detailed investigation of a parameter estimation approach on the basis of the reduced-order unscented Kalman filter (ROUKF) in the context of 1-dimensional blood flow models. In particular, the main aims of this study are (1) to investigate the effects of using real measurements versus synthetic data for the estimation procedure (i.e., numerical results of the same in silico model, perturbed with noise) and (2) to identify potential difficulties and limitations of the approach in clinically realistic applications to assess the applicability of the filter to such setups. For these purposes, the present numerical study is based on a recently published in vitro model of the arterial network, for which experimental flow and pressure measurements are available at few selected locations. To mimic clinically relevant situations, we focus on the estimation of terminal resistances and arterial wall parameters related to vessel mechanics (Young's modulus and wall thickness) using few experimental observations (at most a single pressure or flow measurement per vessel). In all cases, we first perform a theoretical identifiability analysis on the basis of the generalized sensitivity function, comparing then the results owith the ROUKF, using either synthetic or experimental data, to results obtained using reference parameters and to available measurements. Copyright © 2016 John Wiley & Sons, Ltd.

A new concept of a unified parameter management, experiment control, and data analysis in fMRI: application to real-time fMRI at 3T and 7T.

PubMed

Hollmann, M; Mönch, T; Mulla-Osman, S; Tempelmann, C; Stadler, J; Bernarding, J

2008-10-30

In functional MRI (fMRI) complex experiments and applications require increasingly complex parameter handling as the experimental setup usually consists of separated soft- and hardware systems. Advanced real-time applications such as neurofeedback-based training or brain computer interfaces (BCIs) may even require adaptive changes of the paradigms and experimental setup during the measurement. This would be facilitated by an automated management of the overall workflow and a control of the communication between all experimental components. We realized a concept based on an XML software framework called Experiment Description Language (EDL). All parameters relevant for real-time data acquisition, real-time fMRI (rtfMRI) statistical data analysis, stimulus presentation, and activation processing are stored in one central EDL file, and processed during the experiment. A usability study comparing the central EDL parameter management with traditional approaches showed an improvement of the complete experimental handling. Based on this concept, a feasibility study realizing a dynamic rtfMRI-based brain computer interface showed that the developed system in combination with EDL was able to reliably detect and evaluate activation patterns in real-time. The implementation of a centrally controlled communication between the subsystems involved in the rtfMRI experiments reduced potential inconsistencies, and will open new applications for adaptive BCIs.

Method for extracting relevant electrical parameters from graphene field-effect transistors using a physical model

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

Boscá, A., E-mail: alberto.bosca@upm.es; Dpto. de Ingeniería Electrónica, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Madrid 28040; Pedrós, J.

2015-01-28

Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method outputmore » values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process.« less

Reduction and Uncertainty Analysis of Chemical Mechanisms Based on Local and Global Sensitivities

NASA Astrophysics Data System (ADS)

Esposito, Gaetano

Numerical simulations of critical reacting flow phenomena in hypersonic propulsion devices require accurate representation of finite-rate chemical kinetics. The chemical kinetic models available for hydrocarbon fuel combustion are rather large, involving hundreds of species and thousands of reactions. As a consequence, they cannot be used in multi-dimensional computational fluid dynamic calculations in the foreseeable future due to the prohibitive computational cost. In addition to the computational difficulties, it is also known that some fundamental chemical kinetic parameters of detailed models have significant level of uncertainty due to limited experimental data available and to poor understanding of interactions among kinetic parameters. In the present investigation, local and global sensitivity analysis techniques are employed to develop a systematic approach of reducing and analyzing detailed chemical kinetic models. Unlike previous studies in which skeletal model reduction was based on the separate analysis of simple cases, in this work a novel strategy based on Principal Component Analysis of local sensitivity values is presented. This new approach is capable of simultaneously taking into account all the relevant canonical combustion configurations over different composition, temperature and pressure conditions. Moreover, the procedure developed in this work represents the first documented inclusion of non-premixed extinction phenomena, which is of great relevance in hypersonic combustors, in an automated reduction algorithm. The application of the skeletal reduction to a detailed kinetic model consisting of 111 species in 784 reactions is demonstrated. The resulting reduced skeletal model of 37--38 species showed that the global ignition/propagation/extinction phenomena of ethylene-air mixtures can be predicted within an accuracy of 2% of the full detailed model. The problems of both understanding non-linear interactions between kinetic parameters and identifying sources of uncertainty affecting relevant reaction pathways are usually addressed by resorting to Global Sensitivity Analysis (GSA) techniques. In particular, the most sensitive reactions controlling combustion phenomena are first identified using the Morris Method and then analyzed under the Random Sampling -- High Dimensional Model Representation (RS-HDMR) framework. The HDMR decomposition shows that 10% of the variance seen in the extinction strain rate of non-premixed flames is due to second-order effects between parameters, whereas the maximum concentration of acetylene, a key soot precursor, is affected by mostly only first-order contributions. Moreover, the analysis of the global sensitivity indices demonstrates that improving the accuracy of the reaction rates including the vinyl radical, C2H3, can drastically reduce the uncertainty of predicting targeted flame properties. Finally, the back-propagation of the experimental uncertainty of the extinction strain rate to the parameter space is also performed. This exercise, achieved by recycling the numerical solutions of the RS-HDMR, shows that some regions of the parameter space have a high probability of reproducing the experimental value of the extinction strain rate between its own uncertainty bounds. Therefore this study demonstrates that the uncertainty analysis of bulk flame properties can effectively provide information on relevant chemical reactions.

Experimental constraints from flavour changing processes and physics beyond the Standard Model.

PubMed

Gersabeck, M; Gligorov, V V; Serra, N

Flavour physics has a long tradition of paving the way for direct discoveries of new particles and interactions. Results over the last decade have placed stringent bounds on the parameter space of physics beyond the Standard Model. Early results from the LHC, and its dedicated flavour factory LHCb, have further tightened these constraints and reiterate the ongoing relevance of flavour studies. The experimental status of flavour observables in the charm and beauty sectors is reviewed in measurements of CP violation, neutral meson mixing, and measurements of rare decays.

Evolution of a mini-scale biphasic dissolution model: Impact of model parameters on partitioning of dissolved API and modelling of in vivo-relevant kinetics.

PubMed

Locher, Kathrin; Borghardt, Jens M; Frank, Kerstin J; Kloft, Charlotte; Wagner, Karl G

2016-08-01

Biphasic dissolution models are proposed to have good predictive power for the in vivo absorption. The aim of this study was to improve our previously introduced mini-scale dissolution model to mimic in vivo situations more realistically and to increase the robustness of the experimental model. Six dissolved APIs (BCS II) were tested applying the improved mini-scale biphasic dissolution model (miBIdi-pH-II). The influence of experimental model parameters including various excipients, API concentrations, dual paddle and its rotation speed was investigated. The kinetics in the biphasic model was described applying a one- and four-compartment pharmacokinetic (PK) model. The improved biphasic dissolution model was robust related to differing APIs and excipient concentrations. The dual paddle guaranteed homogenous mixing in both phases; the optimal rotation speed was 25 and 75rpm for the aqueous and the octanol phase, respectively. A one-compartment PK model adequately characterised the data of fully dissolved APIs. A four-compartment PK model best quantified dissolution, precipitation, and partitioning also of undissolved amounts due to realistic pH profiles. The improved dissolution model is a powerful tool for investigating the interplay between dissolution, precipitation and partitioning of various poorly soluble APIs (BCS II). In vivo-relevant PK parameters could be estimated applying respective PK models. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Nelson, Stacy; English, Shawn; Briggs, Timothy

Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be definedmore » through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.« less

Present understanding of MHD and heat transfer phenomena for liquid metal blankets

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

Kirillov, I.R.; Barleon, L.; Reed, C.B.

1994-12-31

Liquid metals (Li, Li17Pb83, Pb) are considered as coolants in many designs of fusion reactor blankets. To estimate their potential and to make an optimal design, one has to know the magnetohydrodynamic (MHD) and heat transfer characteristics of liquid metal flow in the magnetic field. Such flows with high characteristic parameter values (Hartmann number M and interaction parameter N) open up a relatively new field in Magnetohydrodynamics requiring both theoretical and experimental efforts. A review of experimental work done for the last ten years in different countries shows that there are some data on MHD/HT characteristics in straight channels ofmore » simple geometry under fusion reactor relevant conditions (M>>1, N>>1) and not enough data for complex flow geometries. Future efforts should be directed to investigation of MHD/HT in straight channels with perfect and imperfect electroinsulated walls, including those with controlled imperfections, and in channels of complex geometry. The experiments are not simple, since the fusion relevant conditions require facilities with magnetic fields at, or even higher than, 5-7 T in comparatively large volumes. International cooperation in constructing and operating these facilities may be of great help.« less

On the ab initio evaluation of Hubbard parameters. II. The κ-(BEDT-TTF)2Cu[N(CN)2]Br crystal

NASA Astrophysics Data System (ADS)

Fortunelli, Alessandro; Painelli, Anna

1997-05-01

A previously proposed approach for the ab initio evaluation of Hubbard parameters is applied to BEDT-TTF dimers. The dimers are positioned according to four geometries taken as the first neighbors from the experimental data on the κ-(BEDT-TTF)2Cu[N(CN)2]Br crystal. RHF-SCF, CAS-SCF and frozen-orbital calculations using the 6-31G** basis set are performed with different values of the total charge, allowing us to derive all the relevant parameters. It is found that the electronic structure of the BEDT-TTF planes is adequately described by the standard Extended Hubbard Model, with the off-diagonal electron-electron interaction terms (X and W) of negligible size. The derived parameters are in good agreement with available experimental data. Comparison with previous theoretical estimates shows that the t values compare well with those obtained from Extended Hückel Theory (whereas the minimal basis set estimates are completely unreliable). On the other hand, the Uaeff values exhibit an appreciable dependence on the chemical environment.

A global sensitivity analysis approach for morphogenesis models.

PubMed

Boas, Sonja E M; Navarro Jimenez, Maria I; Merks, Roeland M H; Blom, Joke G

2015-11-21

Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, non-linear and multi-factorial models with images as output are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the input and the output of such 'black-box' models, giving rise to the need for sensitivity analysis tools. In this paper, we introduce a workflow for a global sensitivity analysis approach to study the impact of single parameters and the interactions between them on the output of morphogenesis models. To demonstrate the workflow, we used a published, well-studied model of vascular morphogenesis. The parameters of this cellular Potts model (CPM) represent cell properties and behaviors that drive the mechanisms of angiogenic sprouting. The global sensitivity analysis correctly identified the dominant parameters in the model, consistent with previous studies. Additionally, the analysis provided information on the relative impact of single parameters and of interactions between them. This is very relevant because interactions of parameters impede the experimental verification of the predicted effect of single parameters. The parameter interactions, although of low impact, provided also new insights in the mechanisms of in silico sprouting. Finally, the analysis indicated that the model could be reduced by one parameter. We propose global sensitivity analysis as an alternative approach to study the mechanisms of morphogenesis. Comparison of the ranking of the impact of the model parameters to knowledge derived from experimental data and from manipulation experiments can help to falsify models and to find the operand mechanisms in morphogenesis. The workflow is applicable to all 'black-box' models, including high-throughput in vitro models in which output measures are affected by a set of experimental perturbations.

Chromium released from leather - II: the importance of environmental parameters.

PubMed

Mathiason, Frederik; Lidén, Carola; Hedberg, Yolanda S

2015-05-01

Approximately 1-3% of the adult population in Europe are allergic to chromium (Cr). A new restriction in Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) based on the ISO 17075 standard has recently been adopted in the EU to limit Cr(VI) in consumer and occupational leather products to < 3 mg/kg. To investigate the influence of storage conditions [relative humidity, temperature, ultraviolet (UV) irradiation, and duration] on Cr release, and to assess several parameters relevant for occupational exposure (repeated exposure, wear, alkaline solutions, and sequential wet and dry exposures). A leather of relevance for work gloves was investigated for its release of Cr(III) and Cr(VI) under these different experimental conditions. Relative humidity (water content in leather) during storage prior to Cr extraction was the single most important parameter. Cr(VI) levels could vary from non-detectable to levels significantly exceeding the restriction limit, depending on the relative humidity. Leather contact with alkaline solution and UV irradiation during storage could increase the Cr(VI) levels in subsequent extractions. The amount of Cr(VI) in leather is not an intrinsic property, but is influenced by environmental conditions of relevance for occupations and skin exposure. © 2015 The Authors. Contact Dermatitis published by John Wiley & Sons Ltd.

Optimal Equilibria and Plasma Parameter Evolutions for the Ignitor Experiment*

NASA Astrophysics Data System (ADS)

Airoldi, A.; Cenacchi, G.; Coppi, B.

2011-10-01

In view of the operation of the Ignitor machine in both the H and the I-regime, optimal equilibrium configurations that can sustain plasma currents Ip up to 10 MA with a double X-point have been identified. In fact, the emergence of the I-regime in double X-point configurations has not been observed experimentally yet. The characteristics of the magnetic equilibrium configurations that can be produced play a crucial role in the performance of the machine. Therefore, particular care has been devoted to the study of plasma equilibria relevant to the main phases of the discharge evolution. A series of simulations to be utilized for the control of the relevant (sub-ignited) plasma parameters has been carried out using the JETTO transport code considering different values of the plasma current and, correspondingly, of the magnetic field. Special attention has been devoted to non-igniting experiments with Ip = 5 MA and BT = 8 T, where BT is the toroidal magnetic field, as they can be performed with much better duty cycles and longer duration than experiments aimed at reaching the most extreme plasma parameters and ignition in particular. The results of the relevant analyses with a discussion of the adopted transport coefficients is presented. * Sponsored in part by ENEA and the U.S. DOE.

Theoretical and experimental analysis of injection seeding a Q-switched alexandrite laser

NASA Technical Reports Server (NTRS)

Prasad, C. R.; Lee, H. S.; Glesne, T. R.; Monosmith, B.; Schwemmer, G. K.

1991-01-01

Injection seeding is a method for achieving linewidths of less than 500 MHz in the output of broadband, tunable, solid state lasers. Dye lasers, CW and pulsed diode lasers, and other solid state lasers have been used as injection seeders. By optimizing the fundamental laser parameters of pump energy, Q-switched pulse build-up time, injection seed power and mode matching, one can achieve significant improvements in the spectral purity of the Q-switched output. These parameters are incorporated into a simple model for analyzing spectral purity and pulse build-up processes in a Q-switched, injection-seeded laser. Experiments to optimize the relevant parameters of an alexandrite laser show good agreement.

Electrocoagulation of wastewater from almond industry.

PubMed

Valero, David; Ortiz, Juan M; García, Vicente; Expósito, Eduardo; Montiel, Vicente; Aldaz, Antonio

2011-08-01

This work was carried out to study the treatment of almond industry wastewater by the electrocoagulation process. First of all, laboratory scale experiments were conducted in order to determine the effects of relevant wastewater characteristics such as conductivity and pH, as well as the process variables such as anode material, current density and operating time on the removal efficiencies of the total organic carbon (TOC) and the most representative analytical parameters. Next, the wastewater treatment process was scaled up to pre-industrial size using the best experimental conditions and parameters obtained at laboratory scale. Finally, economic parameters such as chemicals, energy consumption and sludge generation have been discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

Natural abundance (25)Mg solid-state NMR of mg oxyanion systems: a combined experimental and computational study.

PubMed

Cahill, Lindsay S; Hanna, John V; Wong, Alan; Freitas, Jair C C; Yates, Jonathan R; Harris, Robin K; Smith, Mark E

2009-09-28

Solid-state (25)Mg magic angle spinning nuclear magnetic resonance (MAS NMR) data are reported from a range of organic and inorganic magnesium-oxyanion compounds at natural abundance. To constrain the determination of the NMR interaction parameters (delta(iso), chi(Q), eta(Q)) data have been collected at three external magnetic fields (11.7, 14.1 and 18.8 T). Corresponding NMR parameters have also been calculated by using density functional theory (DFT) methods using the GIPAW approach, with good correlations being established between experimental and calculated values of both chi(Q) and delta(iso). These correlations demonstrate that the (25)Mg NMR parameters are very sensitive to the structure, with small changes in the local Mg(2+) environment and the overall hydration state profoundly affecting the observed spectra. The observations suggest that (25)Mg NMR spectroscopy is a potentially potent probe for addressing some key problems in inorganic materials and of metal centres in biologically relevant molecules.

Technical Note: Using experimentally determined proton spot scanning timing parameters to accurately model beam delivery time.

PubMed

Shen, Jiajian; Tryggestad, Erik; Younkin, James E; Keole, Sameer R; Furutani, Keith M; Kang, Yixiu; Herman, Michael G; Bues, Martin

2017-10-01

To accurately model the beam delivery time (BDT) for a synchrotron-based proton spot scanning system using experimentally determined beam parameters. A model to simulate the proton spot delivery sequences was constructed, and BDT was calculated by summing times for layer switch, spot switch, and spot delivery. Test plans were designed to isolate and quantify the relevant beam parameters in the operation cycle of the proton beam therapy delivery system. These parameters included the layer switch time, magnet preparation and verification time, average beam scanning speeds in x- and y-directions, proton spill rate, and maximum charge and maximum extraction time for each spill. The experimentally determined parameters, as well as the nominal values initially provided by the vendor, served as inputs to the model to predict BDTs for 602 clinical proton beam deliveries. The calculated BDTs (T BDT ) were compared with the BDTs recorded in the treatment delivery log files (T Log ): ∆t = T Log -T BDT . The experimentally determined average layer switch time for all 97 energies was 1.91 s (ranging from 1.9 to 2.0 s for beam energies from 71.3 to 228.8 MeV), average magnet preparation and verification time was 1.93 ms, the average scanning speeds were 5.9 m/s in x-direction and 19.3 m/s in y-direction, the proton spill rate was 8.7 MU/s, and the maximum proton charge available for one acceleration is 2.0 ± 0.4 nC. Some of the measured parameters differed from the nominal values provided by the vendor. The calculated BDTs using experimentally determined parameters matched the recorded BDTs of 602 beam deliveries (∆t = -0.49 ± 1.44 s), which were significantly more accurate than BDTs calculated using nominal timing parameters (∆t = -7.48 ± 6.97 s). An accurate model for BDT prediction was achieved by using the experimentally determined proton beam therapy delivery parameters, which may be useful in modeling the interplay effect and patient throughput. The model may provide guidance on how to effectively reduce BDT and may be used to identifying deteriorating machine performance. © 2017 American Association of Physicists in Medicine.

Audio visual speech source separation via improved context dependent association model

NASA Astrophysics Data System (ADS)

Kazemi, Alireza; Boostani, Reza; Sobhanmanesh, Fariborz

2014-12-01

In this paper, we exploit the non-linear relation between a speech source and its associated lip video as a source of extra information to propose an improved audio-visual speech source separation (AVSS) algorithm. The audio-visual association is modeled using a neural associator which estimates the visual lip parameters from a temporal context of acoustic observation frames. We define an objective function based on mean square error (MSE) measure between estimated and target visual parameters. This function is minimized for estimation of the de-mixing vector/filters to separate the relevant source from linear instantaneous or time-domain convolutive mixtures. We have also proposed a hybrid criterion which uses AV coherency together with kurtosis as a non-Gaussianity measure. Experimental results are presented and compared in terms of visually relevant speech detection accuracy and output signal-to-interference ratio (SIR) of source separation. The suggested audio-visual model significantly improves relevant speech classification accuracy compared to existing GMM-based model and the proposed AVSS algorithm improves the speech separation quality compared to reference ICA- and AVSS-based methods.

Magnetic anisotropy in the Kitaev model systems Na2IrO3 and RuCl3

NASA Astrophysics Data System (ADS)

Chaloupka, Jiří; Khaliullin, Giniyat

2016-08-01

We study the ordered moment direction in the extended Kitaev-Heisenberg model relevant to honeycomb lattice magnets with strong spin-orbit coupling. We utilize numerical diagonalization and analyze the exact cluster ground states using a particular set of spin-coherent states, obtaining thereby quantum corrections to the magnetic anisotropy beyond conventional perturbative methods. It is found that the quantum fluctuations strongly modify the moment direction obtained at a classical level and are thus crucial for a precise quantification of the interactions. The results show that the moment direction is a sensitive probe of the model parameters in real materials. Focusing on the experimentally relevant zigzag phases of the model, we analyze the currently available neutron-diffraction and resonant x-ray-diffraction data on Na2IrO3 and RuCl3 and discuss the parameter regimes plausible in these Kitaev-Heisenberg model systems.

Experimental modal analysis on fresh-frozen human hemipelvic bones employing a 3D laser vibrometer for the purpose of modal parameter identification.

PubMed

Neugebauer, R; Werner, M; Voigt, C; Steinke, H; Scholz, R; Scherer, S; Quickert, M

2011-05-17

To provide a close-to-reality simulation model, such as for improved surgery planning, this model has to be experimentally verified. The present article describes the use of a 3D laser vibrometer for determining modal parameters of human pelvic bones that can be used for verifying a finite elements model. Compared to previously used sensors, such as acceleration sensors or strain gauges, the laser vibrometric procedure used here is a non-contact and non-interacting measuring method that allows a high density of measuring points and measurement in a global coordinate system. Relevant modal parameters were extracted from the measured data and provided for verifying the model. The use of the 3D laser vibrometer allowed the establishment of a process chain for experimental examination of the pelvic bones that was optimized with respect to time and effort involved. The transfer functions determined feature good signal quality. Furthermore, a comparison of the results obtained from pairs of pelvic bones showed that repeatable measurements can be obtained with the method used. Copyright © 2011 Elsevier Ltd. All rights reserved.

Interplay of stereoelectronic and enviromental effects in tuning the structural and magnetic properties of a prototypical spin probe: further insights from a first principle dynamical approach.

PubMed

Pavone, Michele; Cimino, Paola; De Angelis, Filippo; Barone, Vincenzo

2006-04-05

The nitrogen isotropic hyperfine coupling constant (hcc) and the g tensor of a prototypical spin probe (di-tert-butyl nitroxide, DTBN) in aqueous solution have been investigated by means of an integrated computational approach including Car-Parrinello molecular dynamics and quantum mechanical calculations involving a discrete-continuum embedding. The quantitative agreement between computed and experimental parameters fully validates our integrated approach. Decoupling of the structural, dynamical, and environmental contributions acting onto the spectral observables allows an unbiased judgment of the role played by different effects in determining the overall experimental observables and highlights the importance of finite-temperature vibrational averaging. Together with their intrinsic interest, our results pave the route toward more reliable interpretations of EPR parameters of complex systems of biological and technological relevance.

Properties of potential eco-friendly gas replacements for particle detectors in high-energy physics

NASA Astrophysics Data System (ADS)

Saviano, G.; Ferrini, M.; Benussi, L.; Bianco, S.; Piccolo, D.; Colafranceschi, S.; KjØlbro, J.; Sharma, A.; Yang, D.; Chen, G.; Ban, Y.; Li, Q.; Grassini, S.; Parvis, M.

2018-03-01

Gas detectors for elementary particles require F-based gases for optimal performance. Recent regulations demand the use of environmentally unfriendly F-based gases to be limited or banned. This work studies properties of potential eco-friendly gas replacements by computing the physical and chemical parameters relevant for use as detector media, and suggests candidates to be considered for experimental investigation.

Generalized Knudsen Number for Unsteady Fluid Flow.

PubMed

Kara, V; Yakhot, V; Ekinci, K L

2017-02-17

We explore the scaling behavior of an unsteady flow that is generated by an oscillating body of finite size in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimension and the frequency of the oscillating body, we can experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the relevant linear dimension and the frequency of the body. This proposed Knudsen number for an unsteady flow is rooted in a fundamental symmetry principle, namely, Galilean invariance.

Generalized Knudsen Number for Unsteady Fluid Flow

NASA Astrophysics Data System (ADS)

Kara, V.; Yakhot, V.; Ekinci, K. L.

2017-02-01

We explore the scaling behavior of an unsteady flow that is generated by an oscillating body of finite size in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimension and the frequency of the oscillating body, we can experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the relevant linear dimension and the frequency of the body. This proposed Knudsen number for an unsteady flow is rooted in a fundamental symmetry principle, namely, Galilean invariance.

Detection of cylinder unbalance from Bayesian inference combining cylinder pressure and vibration block measurement in a Diesel engine

NASA Astrophysics Data System (ADS)

Nguyen, Emmanuel; Antoni, Jerome; Grondin, Olivier

2009-12-01

In the automotive industry, the necessary reduction of pollutant emission for new Diesel engines requires the control of combustion events. This control is efficient provided combustion parameters such as combustion occurrence and combustion energy are relevant. Combustion parameters are traditionally measured from cylinder pressure sensors. However this kind of sensor is expensive and has a limited lifetime. Thus this paper proposes to use only one cylinder pressure on a multi-cylinder engine and to extract combustion parameters from the other cylinders with low cost knock sensors. Knock sensors measure the vibration circulating on the engine block, hence they do not all contain the information on the combustion processes, but they are also contaminated by other mechanical noises that disorder the signal. The question is how to combine the information coming from one cylinder pressure and knock sensors to obtain the most relevant combustion parameters in all engine cylinders. In this paper, the issue is addressed trough the Bayesian inference formalism. In that cylinder where a cylinder pressure sensor is mounted, combustion parameters will be measured directly. In the other cylinders, they will be measured indirectly from Bayesian inference. Experimental results obtained on a four cylinder Diesel engine demonstrate the effectiveness of the proposed algorithm toward that purpose.

The muon g - 2 for low-mass pseudoscalar Higgs in the general 2HDM

NASA Astrophysics Data System (ADS)

Cherchiglia, Adriano; Stöckinger, Dominik; Stöckinger-Kim, Hyejung

2018-05-01

The two-Higgs doublet model is a simple and attractive extension of the Standard Model. It provides a possibility to explain the large deviation between theory and experiment in the muon g - 2 in an interesting parameter region: light pseudoscalar Higgs A, large Yukawa coupling to τ-leptons, and general, non-type II Yukawa couplings are preferred. This parameter region is explored, experimental limits on the relevant Yukawa couplings are obtained, and the maximum possible contributions to the muon g - 2 are discussed. Presented at Workshop on Flavour Changing and Conserving Processes (FCCP2017), September 2017

In silico analysis of antibiotic-induced Clostridium difficile infection: Remediation techniques and biological adaptations

PubMed Central

Carlson, Jean M.

2018-01-01

In this paper we study antibiotic-induced C. difficile infection (CDI), caused by the toxin-producing C. difficile (CD), and implement clinically-inspired simulated treatments in a computational framework that synthesizes a generalized Lotka-Volterra (gLV) model with SIR modeling techniques. The gLV model uses parameters derived from an experimental mouse model, in which the mice are administered antibiotics and subsequently dosed with CD. We numerically identify which of the experimentally measured initial conditions are vulnerable to CD colonization, then formalize the notion of CD susceptibility analytically. We simulate fecal transplantation, a clinically successful treatment for CDI, and discover that both the transplant timing and transplant donor are relevant to the the efficacy of the treatment, a result which has clinical implications. We incorporate two nongeneric yet dangerous attributes of CD into the gLV model, sporulation and antibiotic-resistant mutation, and for each identify relevant SIR techniques that describe the desired attribute. Finally, we rely on the results of our framework to analyze an experimental study of fecal transplants in mice, and are able to explain observed experimental results, validate our simulated results, and suggest model-motivated experiments. PMID:29451873

In silico analysis of antibiotic-induced Clostridium difficile infection: Remediation techniques and biological adaptations.

PubMed

Jones, Eric W; Carlson, Jean M

2018-02-01

In this paper we study antibiotic-induced C. difficile infection (CDI), caused by the toxin-producing C. difficile (CD), and implement clinically-inspired simulated treatments in a computational framework that synthesizes a generalized Lotka-Volterra (gLV) model with SIR modeling techniques. The gLV model uses parameters derived from an experimental mouse model, in which the mice are administered antibiotics and subsequently dosed with CD. We numerically identify which of the experimentally measured initial conditions are vulnerable to CD colonization, then formalize the notion of CD susceptibility analytically. We simulate fecal transplantation, a clinically successful treatment for CDI, and discover that both the transplant timing and transplant donor are relevant to the the efficacy of the treatment, a result which has clinical implications. We incorporate two nongeneric yet dangerous attributes of CD into the gLV model, sporulation and antibiotic-resistant mutation, and for each identify relevant SIR techniques that describe the desired attribute. Finally, we rely on the results of our framework to analyze an experimental study of fecal transplants in mice, and are able to explain observed experimental results, validate our simulated results, and suggest model-motivated experiments.

The impact of pesticides on oxidative stress level in human organism and their activity as an endocrine disruptor.

PubMed

Jabłońska-Trypuć, Agata; Wołejko, Elżbieta; Wydro, Urszula; Butarewicz, Andrzej

2017-07-03

Pesticides cause serious environmental and health problems both to humans and animals. The aim of this review is to discuss selected herbicides and fungicides regarding their mode of action and their influence on basic oxidative stress parameters and endocrine disruption properties tested in selected cell cultures in vitro. Because of numerous difficulties which animal studies are subject to, cell cultures are an excellent experimental model reflecting human exposure to different pesticides through all relevant routes. This experimental model can be used to monitor aggregate and cumulative pesticide exposures.

Correlation between mass transfer coefficient kLa and relevant operating parameters in cylindrical disposable shaken bioreactors on a bench-to-pilot scale

PubMed Central

2013-01-01

Background Among disposable bioreactor systems, cylindrical orbitally shaken bioreactors show important advantages. They provide a well-defined hydrodynamic flow combined with excellent mixing and oxygen transfer for mammalian and plant cell cultivations. Since there is no known universal correlation between the volumetric mass transfer coefficient for oxygen kLa and relevant operating parameters in such bioreactor systems, the aim of this current study is to experimentally determine a universal kLa correlation. Results A Respiration Activity Monitoring System (RAMOS) was used to measure kLa values in cylindrical disposable shaken bioreactors and Buckingham’s π-Theorem was applied to define a dimensionless equation for kLa. In this way, a scale- and volume-independent kLa correlation was developed and validated in bioreactors with volumes from 2 L to 200 L. The final correlation was used to calculate cultivation parameters at different scales to allow a sufficient oxygen supply of tobacco BY-2 cell suspension cultures. Conclusion The resulting equation can be universally applied to calculate the mass transfer coefficient for any of seven relevant cultivation parameters such as the reactor diameter, the shaking frequency, the filling volume, the viscosity, the oxygen diffusion coefficient, the gravitational acceleration or the shaking diameter within an accuracy range of +/− 30%. To our knowledge, this is the first kLa correlation that has been defined and validated for the cited bioreactor system on a bench-to-pilot scale. PMID:24289110

Correlation between mass transfer coefficient kLa and relevant operating parameters in cylindrical disposable shaken bioreactors on a bench-to-pilot scale.

PubMed

Klöckner, Wolf; Gacem, Riad; Anderlei, Tibor; Raven, Nicole; Schillberg, Stefan; Lattermann, Clemens; Büchs, Jochen

2013-12-02

Among disposable bioreactor systems, cylindrical orbitally shaken bioreactors show important advantages. They provide a well-defined hydrodynamic flow combined with excellent mixing and oxygen transfer for mammalian and plant cell cultivations. Since there is no known universal correlation between the volumetric mass transfer coefficient for oxygen kLa and relevant operating parameters in such bioreactor systems, the aim of this current study is to experimentally determine a universal kLa correlation. A Respiration Activity Monitoring System (RAMOS) was used to measure kLa values in cylindrical disposable shaken bioreactors and Buckingham's π-Theorem was applied to define a dimensionless equation for kLa. In this way, a scale- and volume-independent kLa correlation was developed and validated in bioreactors with volumes from 2 L to 200 L. The final correlation was used to calculate cultivation parameters at different scales to allow a sufficient oxygen supply of tobacco BY-2 cell suspension cultures. The resulting equation can be universally applied to calculate the mass transfer coefficient for any of seven relevant cultivation parameters such as the reactor diameter, the shaking frequency, the filling volume, the viscosity, the oxygen diffusion coefficient, the gravitational acceleration or the shaking diameter within an accuracy range of +/- 30%. To our knowledge, this is the first kLa correlation that has been defined and validated for the cited bioreactor system on a bench-to-pilot scale.

Development of a Joint Hydrogen and Syngas Combustion Mechanism Based on an Optimization Approach.

PubMed

Varga, Tamás; Olm, Carsten; Nagy, Tibor; Zsély, István Gy; Valkó, Éva; Pálvölgyi, Róbert; Curran, Henry J; Turányi, Tamás

2016-08-01

A comprehensive and hierarchical optimization of a joint hydrogen and syngas combustion mechanism has been carried out. The Kéromnès et al. ( Combust Flame , 2013, 160, 995-1011) mechanism for syngas combustion was updated with our recently optimized hydrogen combustion mechanism (Varga et al., Proc Combust Inst , 2015, 35, 589-596) and optimized using a comprehensive set of direct and indirect experimental data relevant to hydrogen and syngas combustion. The collection of experimental data consisted of ignition measurements in shock tubes and rapid compression machines, burning velocity measurements, and species profiles measured using shock tubes, flow reactors, and jet-stirred reactors. The experimental conditions covered wide ranges of temperatures (800-2500 K), pressures (0.5-50 bar), equivalence ratios ( ϕ = 0.3-5.0), and C/H ratios (0-3). In total, 48 Arrhenius parameters and 5 third-body collision efficiency parameters of 18 elementary reactions were optimized using these experimental data. A large number of directly measured rate coefficient values belonging to 15 of the reaction steps were also utilized. The optimization has resulted in a H 2 /CO combustion mechanism, which is applicable to a wide range of conditions. Moreover, new recommended rate parameters with their covariance matrix and temperature-dependent uncertainty ranges of the optimized rate coefficients are provided. The optimized mechanism was compared to 19 recent hydrogen and syngas combustion mechanisms and is shown to provide the best reproduction of the experimental data.

Development of a Joint Hydrogen and Syngas Combustion Mechanism Based on an Optimization Approach

PubMed Central

Varga, Tamás; Olm, Carsten; Nagy, Tibor; Zsély, István Gy.; Valkó, Éva; Pálvölgyi, Róbert; Curran, Henry. J.

2016-01-01

ABSTRACT A comprehensive and hierarchical optimization of a joint hydrogen and syngas combustion mechanism has been carried out. The Kéromnès et al. (Combust Flame, 2013, 160, 995–1011) mechanism for syngas combustion was updated with our recently optimized hydrogen combustion mechanism (Varga et al., Proc Combust Inst, 2015, 35, 589–596) and optimized using a comprehensive set of direct and indirect experimental data relevant to hydrogen and syngas combustion. The collection of experimental data consisted of ignition measurements in shock tubes and rapid compression machines, burning velocity measurements, and species profiles measured using shock tubes, flow reactors, and jet‐stirred reactors. The experimental conditions covered wide ranges of temperatures (800–2500 K), pressures (0.5–50 bar), equivalence ratios (ϕ = 0.3–5.0), and C/H ratios (0–3). In total, 48 Arrhenius parameters and 5 third‐body collision efficiency parameters of 18 elementary reactions were optimized using these experimental data. A large number of directly measured rate coefficient values belonging to 15 of the reaction steps were also utilized. The optimization has resulted in a H2/CO combustion mechanism, which is applicable to a wide range of conditions. Moreover, new recommended rate parameters with their covariance matrix and temperature‐dependent uncertainty ranges of the optimized rate coefficients are provided. The optimized mechanism was compared to 19 recent hydrogen and syngas combustion mechanisms and is shown to provide the best reproduction of the experimental data. PMID:27840549

Estimating parameters with pre-specified accuracies in distributed parameter systems using optimal experiment design

NASA Astrophysics Data System (ADS)

Potters, M. G.; Bombois, X.; Mansoori, M.; Hof, Paul M. J. Van den

2016-08-01

Estimation of physical parameters in dynamical systems driven by linear partial differential equations is an important problem. In this paper, we introduce the least costly experiment design framework for these systems. It enables parameter estimation with an accuracy that is specified by the experimenter prior to the identification experiment, while at the same time minimising the cost of the experiment. We show how to adapt the classical framework for these systems and take into account scaling and stability issues. We also introduce a progressive subdivision algorithm that further generalises the experiment design framework in the sense that it returns the lowest cost by finding the optimal input signal, and optimal sensor and actuator locations. Our methodology is then applied to a relevant problem in heat transfer studies: estimation of conductivity and diffusivity parameters in front-face experiments. We find good correspondence between numerical and theoretical results.

Henry's Constants of Persistent Organic Pollutants by a Group-Contribution Method Based on Scaled-Particle Theory.

PubMed

Razdan, Neil K; Koshy, David M; Prausnitz, John M

2017-11-07

A group-contribution method based on scaled-particle theory was developed to predict Henry's constants for six families of persistent organic pollutants: polychlorinated benzenes, polychlorinated biphenyls, polychlorinated dibenzodioxins, polychlorinated dibenzofurans, polychlorinated naphthalenes, and polybrominated diphenyl ethers. The group-contribution model uses limited experimental data to obtain group-interaction parameters for an easy-to-use method to predict Henry's constants for systems where reliable experimental data are scarce. By using group-interaction parameters obtained from data reduction, scaled-particle theory gives the partial molar Gibbs energy of dissolution, Δg̅ 2 , allowing calculation of Henry's constant, H 2 , for more than 700 organic pollutants. The average deviation between predicted values of log H 2 and experiment is 4%. Application of an approximate van't Hoff equation gives the temperature dependence of Henry's constants for polychlorinated biphenyls, polychlorinated naphthalenes, and polybrominated diphenyl ethers in the environmentally relevant range 0-40 °C.

Theoretical Studies of Liquid He-4 Near the Superfluid Transition

NASA Technical Reports Server (NTRS)

Manousakis, Efstratios

2002-01-01

We performed theoretical studies of liquid helium by applying state of the art simulation and finite-size scaling techniques. We calculated universal scaling functions for the specific heat and superfluid density for various confining geometries relevant for experiments such as the confined helium experiment and other ground based studies. We also studied microscopically how the substrate imposes a boundary condition on the superfluid order parameter as the superfluid film grows layer by layer. Using path-integral Monte Carlo, a quantum Monte Carlo simulation method, we investigated the rich phase diagram of helium monolayer, bilayer and multilayer on a substrate such as graphite. We find excellent agreement with the experimental results using no free parameters. Finally, we carried out preliminary calculations of transport coefficients such as the thermal conductivity for bulk or confined helium systems and of their scaling properties. All our studies provide theoretical support for various experimental studies in microgravity.

Collapse of a Liquid Column: Numerical Simulation and Experimental Validation

NASA Astrophysics Data System (ADS)

Cruchaga, Marcela A.; Celentano, Diego J.; Tezduyar, Tayfun E.

2007-03-01

This paper is focused on the numerical and experimental analyses of the collapse of a liquid column. The measurements of the interface position in a set of experiments carried out with shampoo and water for two different initial column aspect ratios are presented together with the corresponding numerical predictions. The experimental procedure was found to provide acceptable recurrence in the observation of the interface evolution. Basic models describing some of the relevant physical aspects, e.g. wall friction and turbulence, are included in the simulations. Numerical experiments are conducted to evaluate the influence of the parameters involved in the modeling by comparing the results with the data from the measurements. The numerical predictions reasonably describe the physical trends.

Rational selection of experimental readout and intervention sites for reducing uncertainties in computational model predictions.

PubMed

Flassig, Robert J; Migal, Iryna; der Zalm, Esther van; Rihko-Struckmann, Liisa; Sundmacher, Kai

2015-01-16

Understanding the dynamics of biological processes can substantially be supported by computational models in the form of nonlinear ordinary differential equations (ODE). Typically, this model class contains many unknown parameters, which are estimated from inadequate and noisy data. Depending on the ODE structure, predictions based on unmeasured states and associated parameters are highly uncertain, even undetermined. For given data, profile likelihood analysis has been proven to be one of the most practically relevant approaches for analyzing the identifiability of an ODE structure, and thus model predictions. In case of highly uncertain or non-identifiable parameters, rational experimental design based on various approaches has shown to significantly reduce parameter uncertainties with minimal amount of effort. In this work we illustrate how to use profile likelihood samples for quantifying the individual contribution of parameter uncertainty to prediction uncertainty. For the uncertainty quantification we introduce the profile likelihood sensitivity (PLS) index. Additionally, for the case of several uncertain parameters, we introduce the PLS entropy to quantify individual contributions to the overall prediction uncertainty. We show how to use these two criteria as an experimental design objective for selecting new, informative readouts in combination with intervention site identification. The characteristics of the proposed multi-criterion objective are illustrated with an in silico example. We further illustrate how an existing practically non-identifiable model for the chlorophyll fluorescence induction in a photosynthetic organism, D. salina, can be rendered identifiable by additional experiments with new readouts. Having data and profile likelihood samples at hand, the here proposed uncertainty quantification based on prediction samples from the profile likelihood provides a simple way for determining individual contributions of parameter uncertainties to uncertainties in model predictions. The uncertainty quantification of specific model predictions allows identifying regions, where model predictions have to be considered with care. Such uncertain regions can be used for a rational experimental design to render initially highly uncertain model predictions into certainty. Finally, our uncertainty quantification directly accounts for parameter interdependencies and parameter sensitivities of the specific prediction.

Cellular signaling identifiability analysis: a case study.

PubMed

Roper, Ryan T; Pia Saccomani, Maria; Vicini, Paolo

2010-05-21

Two primary purposes for mathematical modeling in cell biology are (1) simulation for making predictions of experimental outcomes and (2) parameter estimation for drawing inferences from experimental data about unobserved aspects of biological systems. While the former purpose has become common in the biological sciences, the latter is less common, particularly when studying cellular and subcellular phenomena such as signaling-the focus of the current study. Data are difficult to obtain at this level. Therefore, even models of only modest complexity can contain parameters for which the available data are insufficient for estimation. In the present study, we use a set of published cellular signaling models to address issues related to global parameter identifiability. That is, we address the following question: assuming known time courses for some model variables, which parameters is it theoretically impossible to estimate, even with continuous, noise-free data? Following an introduction to this problem and its relevance, we perform a full identifiability analysis on a set of cellular signaling models using DAISY (Differential Algebra for the Identifiability of SYstems). We use our analysis to bring to light important issues related to parameter identifiability in ordinary differential equation (ODE) models. We contend that this is, as of yet, an under-appreciated issue in biological modeling and, more particularly, cell biology. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Set membership experimental design for biological systems.

PubMed

Marvel, Skylar W; Williams, Cranos M

2012-03-21

Experimental design approaches for biological systems are needed to help conserve the limited resources that are allocated for performing experiments. The assumptions used when assigning probability density functions to characterize uncertainty in biological systems are unwarranted when only a small number of measurements can be obtained. In these situations, the uncertainty in biological systems is more appropriately characterized in a bounded-error context. Additionally, effort must be made to improve the connection between modelers and experimentalists by relating design metrics to biologically relevant information. Bounded-error experimental design approaches that can assess the impact of additional measurements on model uncertainty are needed to identify the most appropriate balance between the collection of data and the availability of resources. In this work we develop a bounded-error experimental design framework for nonlinear continuous-time systems when few data measurements are available. This approach leverages many of the recent advances in bounded-error parameter and state estimation methods that use interval analysis to generate parameter sets and state bounds consistent with uncertain data measurements. We devise a novel approach using set-based uncertainty propagation to estimate measurement ranges at candidate time points. We then use these estimated measurements at the candidate time points to evaluate which candidate measurements furthest reduce model uncertainty. A method for quickly combining multiple candidate time points is presented and allows for determining the effect of adding multiple measurements. Biologically relevant metrics are developed and used to predict when new data measurements should be acquired, which system components should be measured and how many additional measurements should be obtained. The practicability of our approach is illustrated with a case study. This study shows that our approach is able to 1) identify candidate measurement time points that maximize information corresponding to biologically relevant metrics and 2) determine the number at which additional measurements begin to provide insignificant information. This framework can be used to balance the availability of resources with the addition of one or more measurement time points to improve the predictability of resulting models.

Set membership experimental design for biological systems

PubMed Central

2012-01-01

Background Experimental design approaches for biological systems are needed to help conserve the limited resources that are allocated for performing experiments. The assumptions used when assigning probability density functions to characterize uncertainty in biological systems are unwarranted when only a small number of measurements can be obtained. In these situations, the uncertainty in biological systems is more appropriately characterized in a bounded-error context. Additionally, effort must be made to improve the connection between modelers and experimentalists by relating design metrics to biologically relevant information. Bounded-error experimental design approaches that can assess the impact of additional measurements on model uncertainty are needed to identify the most appropriate balance between the collection of data and the availability of resources. Results In this work we develop a bounded-error experimental design framework for nonlinear continuous-time systems when few data measurements are available. This approach leverages many of the recent advances in bounded-error parameter and state estimation methods that use interval analysis to generate parameter sets and state bounds consistent with uncertain data measurements. We devise a novel approach using set-based uncertainty propagation to estimate measurement ranges at candidate time points. We then use these estimated measurements at the candidate time points to evaluate which candidate measurements furthest reduce model uncertainty. A method for quickly combining multiple candidate time points is presented and allows for determining the effect of adding multiple measurements. Biologically relevant metrics are developed and used to predict when new data measurements should be acquired, which system components should be measured and how many additional measurements should be obtained. Conclusions The practicability of our approach is illustrated with a case study. This study shows that our approach is able to 1) identify candidate measurement time points that maximize information corresponding to biologically relevant metrics and 2) determine the number at which additional measurements begin to provide insignificant information. This framework can be used to balance the availability of resources with the addition of one or more measurement time points to improve the predictability of resulting models. PMID:22436240

Radon entry into basements: Approach, experimental structures, and instrumentation of the small structures research project

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

Fisk, W.J.; Modera, M.P.; Sextro, R.G.

1992-02-01

We describe the experimental approach, structures, and instrumentation of a research project on radon generation and transport in soil and entry into basements. The overall approach is to construct small precisely-fabricated basements in areas of different geology and climate, to control the pressures and ventilation rates in the structures, and to monitor radon concentrations and other relevant parameters over a period of one year or more. Two nearly air-tight structures have been constructed at the first site. The floor of each structure contains adjustable-width slots that serve as the only significant pathway for advective entry of radon. A layer ofmore » gravel underlays the floor of one structure; otherwise they are identical. The structures are instrumented for continuous or periodic monitoring of soil, structural, and meteorological parameters that affect radon entry. The pressure difference that drives advective radon entry can be maintained constant or varied over time. Soil gas and radon entry rates and associated parameters, such as soil gas pressures and radon concentrations, have been monitored for a range of steady-state and time-varying pressure differences between the interior of the structure and the soil. Examples of the experimentally-measured pressure and permeability fields in the soil around a structure are presented and discussed.« less

Nuclear physics uncertainties of the astrophysical γ-process studied through the 64Zn(p,α)61Cu and 64Zn(p,γ)65Ga reactions

NASA Astrophysics Data System (ADS)

Gyürky, Gy.; Fülöp, Zs.; Halász, Z.; Kiss, G. G.; Szücs, T.

2018-01-01

In a recent work, the cross section measurement of the 64Zn(p,α)61Cu reaction was used to prove that the standard α-nucleus optical potentials used in astrophysical network calculation fail to reproduce the experimental data at energies relevant for heavy element nucleosynthesis. In the present paper the analysis of the obtained experimental data are continued by comparing the results with the predictions using different parameters. It is shown that the recently suggested modification of the standard optical potential leads to a better description of the data.

Caenorhabditis elegans - A model system for space biology studies

NASA Technical Reports Server (NTRS)

Johnson, Thomas E.; Nelson, Gregory A.

1991-01-01

The utility of the nematode Caenorhabditis elegans in studies spanning aspects of development, aging, and radiobiology is reviewed. These topics are interrelated via cellular and DNA repair processes especially in the context of oxidative stress and free-radical metabolism. The relevance of these research topics to problems in space biology is discussed and properties of the space environment are outlined. Exposure to the space-flight environment can induce rapid changes in living systems that are similar to changes occurring during aging; manipulation of these environmental parameters may represent an experimental strategy for studies of development and senescence. The current and future opportunities for such space-flight experimentation are presented.

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

NASA Astrophysics Data System (ADS)

Redondo, Pilar; Largo, Antonio; Vega-Vega, Álvaro; Barrientos, Carmen

2015-05-01

The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader's quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN (1Σ) and hydrideisocyanidezinc HZnNC (1Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn]+ composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn+ (2Σ) and HCNZn+ (2Σ).

SS-mPMG and SS-GA: tools for finding pathways and dynamic simulation of metabolic networks.

PubMed

Katsuragi, Tetsuo; Ono, Naoaki; Yasumoto, Keiichi; Altaf-Ul-Amin, Md; Hirai, Masami Y; Sriyudthsak, Kansuporn; Sawada, Yuji; Yamashita, Yui; Chiba, Yukako; Onouchi, Hitoshi; Fujiwara, Toru; Naito, Satoshi; Shiraishi, Fumihide; Kanaya, Shigehiko

2013-05-01

Metabolomics analysis tools can provide quantitative information on the concentration of metabolites in an organism. In this paper, we propose the minimum pathway model generator tool for simulating the dynamics of metabolite concentrations (SS-mPMG) and a tool for parameter estimation by genetic algorithm (SS-GA). SS-mPMG can extract a subsystem of the metabolic network from the genome-scale pathway maps to reduce the complexity of the simulation model and automatically construct a dynamic simulator to evaluate the experimentally observed behavior of metabolites. Using this tool, we show that stochastic simulation can reproduce experimentally observed dynamics of amino acid biosynthesis in Arabidopsis thaliana. In this simulation, SS-mPMG extracts the metabolic network subsystem from published databases. The parameters needed for the simulation are determined using a genetic algorithm to fit the simulation results to the experimental data. We expect that SS-mPMG and SS-GA will help researchers to create relevant metabolic networks and carry out simulations of metabolic reactions derived from metabolomics data.

Patterns of Carbon Nanotubes by Flow-Directed Deposition on Substrates with Architectured Topographies.

PubMed

K Jawed, M; Hadjiconstantinou, N G; Parks, D M; Reis, P M

2018-03-14

We develop and perform continuum mechanics simulations of carbon nanotube (CNT) deployment directed by a combination of surface topography and rarefied gas flow. We employ the discrete elastic rods method to model the deposition of CNT as a slender elastic rod that evolves in time under two external forces, namely, van der Waals (vdW) and aerodynamic drag. Our results confirm that this self-assembly process is analogous to a previously studied macroscopic system, the "elastic sewing machine", where an elastic rod deployed onto a moving substrate forms nonlinear patterns. In the case of CNTs, the complex patterns observed on the substrate, such as coils and serpentines, result from an intricate interplay between van der Waals attraction, rarefied aerodynamics, and elastic bending. We systematically sweep through the multidimensional parameter space to quantify the pattern morphology as a function of the relevant material, flow, and geometric parameters. Our findings are in good agreement with available experimental data. Scaling analysis involving the relevant forces helps rationalize our observations.

Dynamical complexity in a mean-field model of human EEG

NASA Astrophysics Data System (ADS)

Frascoli, Federico; Dafilis, Mathew P.; van Veen, Lennaert; Bojak, Ingo; Liley, David T. J.

2008-12-01

A recently proposed mean-field theory of mammalian cortex rhythmogenesis describes the salient features of electrical activity in the cerebral macrocolumn, with the use of inhibitory and excitatory neuronal populations (Liley et al 2002). This model is capable of producing a range of important human EEG (electroencephalogram) features such as the alpha rhythm, the 40 Hz activity thought to be associated with conscious awareness (Bojak & Liley 2007) and the changes in EEG spectral power associated with general anesthetic effect (Bojak & Liley 2005). From the point of view of nonlinear dynamics, the model entails a vast parameter space within which multistability, pseudoperiodic regimes, various routes to chaos, fat fractals and rich bifurcation scenarios occur for physiologically relevant parameter values (van Veen & Liley 2006). The origin and the character of this complex behaviour, and its relevance for EEG activity will be illustrated. The existence of short-lived unstable brain states will also be discussed in terms of the available theoretical and experimental results. A perspective on future analysis will conclude the presentation.

A mobile phone based alarm system for supervising vital parameters in free moving rats.

PubMed

Kellermann, Kristine; Kreuzer, Matthias; Omerovich, Adem; Hoetzinger, Franziska; Kochs, Eberhard F; Jungwirth, Bettina

2012-02-23

Study protocols involving experimental animals often require the monitoring of different parameters not only in anesthetized, but also in free moving animals. Most animal research involves small rodents, in which continuously monitoring parameters such as temperature and heart rate is very stressful for the awake animals or simply not possible. Aim of the underlying study was to monitor heart rate, temperature and activity and to assess inflammation in the heart, lungs, liver and kidney in the early postoperative phase after experimental cardiopulmonary bypass involving 45 min of deep hypothermic circulatory arrest in rats. Besides continuous monitoring of heart rate, temperature and behavioural activity, the main focus was on avoiding uncontrolled death of an animal in the early postoperative phase in order to harvest relevant organs before autolysis would render them unsuitable for the assessment of inflammation. We therefore set up a telemetry-based system (Data Science International, DSI™) that continuously monitored the rat's temperature, heart rate and activity in their cages. The data collection using telemetry was combined with an analysis software (Microsoft excel™), a webmail application (GMX) and a text message-service. Whenever an animal's heart rate dropped below the pre-defined threshold of 150 beats per minute (bpm), a notification in the form of a text message was automatically sent to the experimenter's mobile phone. With a positive predictive value of 93.1% and a negative predictive value of 90.5%, the designed surveillance and alarm system proved a reliable and inexpensive tool to avoid uncontrolled death in order to minimize suffering and harvest relevant organs before autolysis would set in. This combination of a telemetry-based system and software tools provided us with a reliable notification system of imminent death. The system's high positive predictive value helped to avoid uncontrolled death and facilitated timely organ harvesting. Additionally we were able to markedly reduce the drop out rate of experimental animals, and therefore the total number of animals used in our study. This system can be easily adapted to different study designs and prove a helpful tool to relieve stress and more importantly help to reduce animal numbers.

Progress of LMJ-relevant implosions experiments on OMEGA

NASA Astrophysics Data System (ADS)

Casner, A.; Philippe, F.; Tassin, V.; Seytor, P.; Monteil, M.-C.; Gauthier, P.; Park, H. S.; Robey, H.; Ross, J.; Amendt, P.; Girard, F.; Villette, B.; Reverdin, C.; Loiseau, P.; Caillaud, T.; Landoas, O.; Li, C. K.; Petrasso, R.; Seguin, F.; Rosenberg, M.; Renaudin, P.

2013-11-01

In preparation of the first ignition attempts on the Laser Mégajoule (LMJ), an experimental program is being pursued on OMEGA to investigate LMJ-relevant hohlraums. First, radiation temperature levels close to 300 eV were recently achieved in reduced-scale hohlraums with modest backscatter losses. Regarding the baseline target design for fusion experiments on LMJ, an extensive experimental database has also been collected for scaled implosions experiments in both empty and gas-filled rugby-shaped hohlraums. We acquired a full picture of hohlraum energetics and implosion dynamics. Not only did the rugby hohlraums show significantly higher x-ray drive energy over the cylindrical hohlraums, but symmetry control by power balance was demonstrated, as well as high-performance D2 implosions enabling the use of a complete suite of neutrons diagnostics. Charged particle diagnostics provide complementary insights into the physics of these x-ray driven implosions. An overview of these results demonstrates our ability to control the key parameters driving the implosion, lending more confidence in extrapolations to ignition-scale targets.

Designing electronic properties of two-dimensional crystals through optimization of deformations

NASA Astrophysics Data System (ADS)

Jones, Gareth W.; Pereira, Vitor M.

2014-09-01

One of the enticing features common to most of the two-dimensional (2D) electronic systems that, in the wake of (and in parallel with) graphene, are currently at the forefront of materials science research is the ability to easily introduce a combination of planar deformations and bending in the system. Since the electronic properties are ultimately determined by the details of atomic orbital overlap, such mechanical manipulations translate into modified (or, at least, perturbed) electronic properties. Here, we present a general-purpose optimization framework for tailoring physical properties of 2D electronic systems by manipulating the state of local strain, allowing a one-step route from their design to experimental implementation. A definite example, chosen for its relevance in light of current experiments in graphene nanostructures, is the optimization of the experimental parameters that generate a prescribed spatial profile of pseudomagnetic fields (PMFs) in graphene. But the method is general enough to accommodate a multitude of possible experimental parameters and conditions whereby deformations can be imparted to the graphene lattice, and complies, by design, with graphene's elastic equilibrium and elastic compatibility constraints. As a result, it efficiently answers the inverse problem of determining the optimal values of a set of external or control parameters (such as substrate topography, sample shape, load distribution, etc) that result in a graphene deformation whose associated PMF profile best matches a prescribed target. The ability to address this inverse problem in an expedited way is one key step for practical implementations of the concept of 2D systems with electronic properties strain-engineered to order. The general-purpose nature of this calculation strategy means that it can be easily applied to the optimization of other relevant physical quantities which directly depend on the local strain field, not just in graphene but in other 2D electronic membranes.

A Statistical Physicist's Approach to Biological Motion: From the the Kinesin Walk to Muscle Contraction

NASA Astrophysics Data System (ADS)

Vicsek, Tamas

1997-03-01

It is demonstrated that a wide range of experimental results on biological motion can be successfully interpreted in terms of statistical physics motivated models taking into account the relevant microscopic details of motor proteins and allowing analytic solutions. Two important examples are considered, i) the motion of a single kinesin molecule along microtubules inside individual cells and ii) muscle contraction which is a macroscopic phenomenon due to the collective action of a large number of myosin heads along actin filaments. i) Recently individual two-headed kinesin molecules have been studied in in vitro motility assays revealing a number of their peculiar transport properties. Here we propose a simple and robust model for the kinesin stepping process with elastically coupled Brownian heads showing all of these properties. The analytic treatment of our model results in a very good fit to the experimental data and practically has no free parameters. ii) Myosin is an ATPase enzyme that converts the chemical energy stored in ATP molecules into mechanical work. During muscle contraction, the myosin cross-bridges attach to the actin filaments and exert force on them yielding a relative sliding of the actin and myosin filaments. In this paper we present a simple mechanochemical model for the cross-bridge interaction involving the relevant kinetic data and providing simple analytic solutions for the mechanical properties of muscle contraction, such as the force-velocity relationship or the relative number of the attached cross-bridges. So far the only analytic formula which could be fitted to the measured force-velocity curves has been the well known Hill equation containing parameters lacking clear microscopic origin. The main advantages of our new approach are that it explicitly connects the mechanical data with the kinetic data and the concentration of the ATP and ATPase products and as such it leads to new analytic solutions which agree extremely well with a wide range of experimental curves, while the parameters of the corresponding expressions have well defined microscopic meaning.

Quantifying the brush structure and assembly of mixed brush nanoparticles in solution

NASA Astrophysics Data System (ADS)

Koski, Jason; Frischknecht, Amalie

The arrangement of nanoparticles in a polymer melt or solution is critical to the resulting material properties. A common strategy to control the distribution of nanoparticles is to graft polymer chains onto the surface of the nanoparticles. An emerging strategy to further control the arrangement of nanoparticles is to graft polymer chains of different types and/or different lengths onto the surface of the nanoparticle, though this considerably increases the parameter space needed to describe the system. Theoretical models that are capable of predicting the assembly of nanoparticles in a melt or solution are thus desirable to guide experiments. In this talk, I will describe a recently developed non-equilibrium method that is appealing in its ability to tractably account for fluctuations and that can directly relate to experiments. To showcase the utility of this method, I apply it to mixed brush grafted nanoparticles in solution where fluctuations are prominent. Specifically, I investigate the role of experimentally relevant parameters on the structure of the brush and the corresponding effects on the assembly of the nanoparticles in solution. These results can be directly linked to experiments to help narrow the relevant parameter space for optimizing these materials.

Tunable Collagen I Hydrogels for Engineered Physiological Tissue Micro-Environments

PubMed Central

Antoine, Elizabeth E.; Vlachos, Pavlos P.; Rylander, Marissa N.

2015-01-01

Collagen I hydrogels are commonly used to mimic the extracellular matrix (ECM) for tissue engineering applications. However, the ability to design collagen I hydrogels similar to the properties of physiological tissues has been elusive. This is primarily due to the lack of quantitative correlations between multiple fabrication parameters and resulting material properties. This study aims to enable informed design and fabrication of collagen hydrogels in order to reliably and reproducibly mimic a variety of soft tissues. We developed empirical predictive models relating fabrication parameters with material and transport properties. These models were obtained through extensive experimental characterization of these properties, which include compression modulus, pore and fiber diameter, and diffusivity. Fabrication parameters were varied within biologically relevant ranges and included collagen concentration, polymerization pH, and polymerization temperature. The data obtained from this study elucidates previously unknown fabrication-property relationships, while the resulting equations facilitate informed a priori design of collagen hydrogels with prescribed properties. By enabling hydrogel fabrication by design, this study has the potential to greatly enhance the utility and relevance of collagen hydrogels in order to develop physiological tissue microenvironments for a wide range of tissue engineering applications. PMID:25822731

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

NASA Astrophysics Data System (ADS)

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-01

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant CQ ∝ |Vzz| and the asymmetry parameter ηQ that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass.

PubMed

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-26

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant C(Q) is proportional to |V(zz)| and the asymmetry parameter η(Q) that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Aspects of metallic low-temperature transport in Mott-insulator/band-insulator superlattices: Optical conductivity and thermoelectricity

NASA Astrophysics Data System (ADS)

Rüegg, Andreas; Pilgram, Sebastian; Sigrist, Manfred

2008-06-01

We investigate the low-temperature electrical and thermal transport properties in atomically precise metallic heterostructures involving strongly correlated electron systems. The model of the Mott-insulator/band-insulator superlattice was discussed in the framework of the slave-boson mean-field approximation and transport quantities were derived by use of the Boltzmann transport equation in the relaxation-time approximation. The results for the optical conductivity are in good agreement with recently published experimental data on (LaTiO3)N/(SrTiO3)M superlattices and allow us to estimate the values of key parameters of the model. Furthermore, predictions for the thermoelectric response were made and the dependence of the Seebeck coefficient on model parameters was studied in detail. The width of the Mott-insulating material was identified as the most relevant parameter, in particular, this parameter provides a way to optimize the thermoelectric power factor at low temperatures.

Effects of subchronic extremely low-frequency electromagnetic field exposure on biochemical parameters in rats.

PubMed

Luo, Xue; Ma, Lingjuan; Gao, Peng; Zhang, Yanwen

2017-04-01

The objective of the present study was to systematically determine the effects of 50 Hertz (Hz) magnetic fields (MFs) on biochemical parameters in rats. Sixty-four adult (5 weeks old, 140-165 g) male Sprague-Dawley rats were randomly divided into four groups: sham, 20 µTesla (µT), 100 µT, and 500 µT 50 Hz MF ( n = 16 in each group). The rats in the MF groups were exposed for 2 h daily for up to 4 weeks. Under these experimental conditions, body weight, organ coefficients, biochemical parameters (blood lipids, myocardial enzymes, liver function, and renal function) were measured. We found that 50 Hz MFs had no significant effects on growth or on the majority of blood biochemical parameters, with the exception of creatinine and cholesterol. However, the changes in creatinine and cholesterol were relatively small and unlikely to be clinically relevant.

Assessment of the water quality monitoring network of the Piabanha River experimental watersheds in Rio de Janeiro, Brazil, using autoassociative neural networks.

PubMed

Villas-Boas, Mariana D; Olivera, Francisco; de Azevedo, Jose Paulo S

2017-09-01

Water quality monitoring is a complex issue that requires support tools in order to provide information for water resource management. Budget constraints as well as an inadequate water quality network design call for the development of evaluation tools to provide efficient water quality monitoring. For this purpose, a nonlinear principal component analysis (NLPCA) based on an autoassociative neural network was performed to assess the redundancy of the parameters and monitoring locations of the water quality network in the Piabanha River watershed. Oftentimes, a small number of variables contain the most relevant information, while the others add little or no interpretation to the variability of water quality. Principal component analysis (PCA) is widely used for this purpose. However, conventional PCA is not able to capture the nonlinearities of water quality data, while neural networks can represent those nonlinear relationships. The results presented in this work demonstrate that NLPCA performs better than PCA in the reconstruction of the water quality data of Piabanha watershed, explaining most of data variance. From the results of NLPCA, the most relevant water quality parameter is fecal coliforms (FCs) and the least relevant is chemical oxygen demand (COD). Regarding the monitoring locations, the most relevant is Poço Tarzan (PT) and the least is Parque Petrópolis (PP).

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.

The averted infections ratio: a novel measure of effectiveness of experimental HIV pre-exposure prophylaxis agents.

PubMed

Dunn, David T; Glidden, David V; Stirrup, Oliver T; McCormack, Sheena

2018-06-01

Tenofovir disoproxil fumarate combined with emtricitabine is a highly effective oral pre-exposure prophylaxis (PrEP) agent for preventing the acquisition of HIV. This effectiveness has consequences for the design and analysis of trials assessing experimental PrEP regimens, which now generally include an active-control tenofovir disoproxil fumarate plus emtricitabine group, rather than a placebo group, as a comparator. Herein, we describe major problems in the interpretation of the primary measure of effectiveness proposed for these trials, namely the ratio of HIV incidence in the experimental agent group to that in the active-control group. We argue that valid interpretation requires an assumption about one of two parameters: either the incidence among trial participants had they not received PrEP or the effectiveness of tenofovir disoproxil fumarate plus emtricitabine within the trial. However, neither parameter is directly observed because of the absence of a no-treatment group, thus requiring the use of external evidence or subjective judgment. We propose an alternative measure of effectiveness based on the concept of averted infections, which incorporates one of these parameters. The measure is simple to interpret, has clinical and public health relevance, and is a natural preservation-of-effect criterion for assessing statistical non-inferiority. Its adoption could also allow the use of smaller sample sizes, currently a major barrier to the assessment of experimental PrEP regimens. Copyright © 2018 Elsevier Ltd. All rights reserved.

Cyclic softening based on dislocation annihilation at sub-cell boundary for SA333 Grade-6 C-Mn steel

NASA Astrophysics Data System (ADS)

Bhattacharjee, S.; Dhar, S.; Acharyya, S. K.; Gupta, S. K.

2018-01-01

In this work, the response of SA333 Grade-6 C-Mn steel subjected to uniaxial and in-phase biaxial tension-torsion cyclic loading is experimented and an attempt is made to model the material behaviour. Experimentally observed cyclic softening is modelled based on ‘dislocation annihilation at low angle grain boundary’, while Ohno-Wang kinematic hardening rule is used to simulate the stress-strain hysteresis loops. The relevant material parameters are extracted from the appropriate experimental results and metallurgical investigations. The material model is plugged as user material subroutine into ABAQUS FE platform to simulate pre-saturation low cycle fatigue loops with cyclic softening and other cyclic plastic behaviour under prescribed loading. The stress-strain hysteresis loops and peak stress with cycles were compared with the experimental results and good agreements between experimental and simulated results validated the material model.

Vapor-liquid equilibria for 1,1-difluoroethane + acetylene and 1,1-difluoroethane + 1,1-dichloroethane at 303.2 K and 323.2 K

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

Lim, J.S.; Lee, Y.W.; Kim, J.D.

1996-09-01

Isothermal vapor-liquid equilibria for 1,1-difluoroethane (HFC-152a) + acetylene and 1,1-difluoroethane + 1,1-dichloroethane (HCC-150a) were measured in a circulation type apparatus at 303.2 K and 323.2 K. The experimental data were correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

An analysis of neural receptive field plasticity by point process adaptive filtering

PubMed Central

Brown, Emery N.; Nguyen, David P.; Frank, Loren M.; Wilson, Matthew A.; Solo, Victor

2001-01-01

Neural receptive fields are plastic: with experience, neurons in many brain regions change their spiking responses to relevant stimuli. Analysis of receptive field plasticity from experimental measurements is crucial for understanding how neural systems adapt their representations of relevant biological information. Current analysis methods using histogram estimates of spike rate functions in nonoverlapping temporal windows do not track the evolution of receptive field plasticity on a fine time scale. Adaptive signal processing is an established engineering paradigm for estimating time-varying system parameters from experimental measurements. We present an adaptive filter algorithm for tracking neural receptive field plasticity based on point process models of spike train activity. We derive an instantaneous steepest descent algorithm by using as the criterion function the instantaneous log likelihood of a point process spike train model. We apply the point process adaptive filter algorithm in a study of spatial (place) receptive field properties of simulated and actual spike train data from rat CA1 hippocampal neurons. A stability analysis of the algorithm is sketched in the Appendix. The adaptive algorithm can update the place field parameter estimates on a millisecond time scale. It reliably tracked the migration, changes in scale, and changes in maximum firing rate characteristic of hippocampal place fields in a rat running on a linear track. Point process adaptive filtering offers an analytic method for studying the dynamics of neural receptive fields. PMID:11593043

Method for measuring changes in light absorption of highly scattering media

DOEpatents

Bigio, Irving J.; Johnson, Tamara M.; Mourant, Judith R.

2002-01-01

The noninvasive measurement of variations in absorption that are due to changes in concentrations of biochemically relevant compounds in tissue is important in many clinical settings. One problem with such measurements is that the pathlength traveled by the collected light through the tissue depends on the scattering properties of the tissue. It is demonstrated, using both Monte Carlo simulations and experimental measurements, that for an appropriate separation between light-delivery and light-collection fibers, the pathlength of the collected photons is insensitive to scattering parameters for the range of parameters typically found in tissue. This is important for developing rapid, noninvasive, inexpensive, and accurate methods for measuring absorption changes in tissue.

Quantum control of isomerization by robust navigation in the energy spectrum

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

Murgida, G. E., E-mail: murgida@tandar.cnea.gov.ar; Arranz, F. J., E-mail: fj.arranz@upm.es; Borondo, F., E-mail: f.borondo@uam.es

2015-12-07

In this paper, we present a detailed study on the application of the quantum control technique of navigation in the energy spectrum to chemical isomerization processes, namely, CN–Li⇆ Li–CN. This technique is based on the controlled time variation of a Hamiltonian parameter, an external uniform electric field in our case. The main result of our work establishes that the navigation involved in the method is robust, in the sense that quite sizable deviations from a pre-established control parameter time profile can be introduced and still get good final results. This is specially relevant thinking of a experimental implementation of themore » method.« less

Hydrodynamics of pedestrians' instability in floodwaters

NASA Astrophysics Data System (ADS)

Arrighi, Chiara; Oumeraci, Hocine; Castelli, Fabio

2017-01-01

People's safety is the first objective to be fulfilled by flood risk mitigation measures, and according to existing reports on the causes of casualties, most of the fatalities are due to inappropriate behaviour such as walking or driving in floodwaters. Currently available experimental data on people instability in floodwaters suffer from a large dispersion primarily depending on the large variability of the physical characteristics of the subjects. This paper introduces a dimensionless mobility parameter θP for people partly immersed in flood flows, which accounts for both flood and subject characteristics. The parameter θP is capable of identifying a unique threshold of instability depending on a Froude number, thus reducing the scatter of existing experimental data. Moreover, a three-dimensional (3-D) numerical model describing the detailed geometry of a human body and reproducing a selection of critical pairs of water depth and velocity is presented. The numerical results in terms of hydrodynamic forces and force coefficients are analysed and discussed. Both the mobility parameter θP and the numerical results hint at the crucial role of the Froude number and relative submergence as the most relevant dimensionless numbers to interpret the loss of stability. Finally, the mobility parameter θP is compared with an analogous dimensionless parameter for vehicles' instability in floodwaters, providing a new contribution to support flood risk management and educating people.

A review of studies on the effects of ultraviolet irradiation on the resistance to infections: evidence from rodent infection models and verification by experimental and observational human studies.

PubMed

Termorshuizen, F; Garssen, J; Norval, M; Koulu, L; Laihia, J; Leino, L; Jansen, C T; De Gruijl, F; Gibbs, N K; De Simone, C; Van Loveren, H

2002-02-01

Recent studies on the immunosuppressive effects of ultraviolet radiation (UVR) and the related resistance to infections in rodents and humans are presented. The waveband dependency of trans-to-cis isomerisation of urocanic acid in the stratum corneum and the role of DNA damage in UVR-induced erythema and immunosuppression were investigated to further elucidate the underlying mechanisms. Furthermore, human experimental studies on UVR-induced immunomodulation were performed. It appeared that the doses needed to suppress various immune parameters in humans (e.g. NK activity, contact hypersensitivity) were higher than those needed in experiments in rodents. Still, extrapolation of experimental animal data to the human situation showed that UVR may impair the resistance to different systemic infections at relevant outdoor doses. In observational human studies we aimed to substantiate the relevance of UVR for infections in humans. It was shown that sunny season was associated with a slightly retarded but clinically non-relevant antibody response to hepatitis B vaccination. Furthermore, sunny season appeared to be associated with a small decline in the number of CD4+ T-helper cells in a cohort of HIV-infected persons and a higher recurrence of herpes simplex and herpes zoster in a cohort of renal transplant recipients. However, in a study among young children a higher exposure to solar UVR was associated with a lower occurrence of upper respiratory tract symptoms. As disentangling the effects of UVR from other relevant factors is often impossible in observational studies, concise quantitative risk estimations for the human situation cannot be given at present.

Constraining extended scalar sectors at the LHC and beyond

NASA Astrophysics Data System (ADS)

Ilnicka, Agnieszka; Robens, Tania; Stefaniak, Tim

2018-04-01

We give a brief overview of beyond the Standard Model (BSM) theories with an extended scalar sector and their phenomenological status in the light of recent experimental results. We discuss the relevant theoretical and experimental constraints, and show their impact on the allowed parameter space of two specific models: the real scalar singlet extension of the Standard Model (SM) and the Inert Doublet Model. We emphasize the importance of the LHC measurements, both the direct searches for additional scalar bosons, as well as the precise measurements of properties of the Higgs boson of mass 125 GeV. We show the complementarity of these measurements to electroweak and dark matter observables.

Voltammetric Thin-Layer Ionophore-Based Films: Part 2. Semi-Empirical Treatment.

PubMed

Yuan, Dajing; Cuartero, Maria; Crespo, Gaston A; Bakker, Eric

2017-01-03

This work reports on a semiempirical treatment that allows one to rationalize and predict experimental conditions for thin-layer ionophore-based films with cation-exchange capacity read out with cyclic voltammetry. The transition between diffusional mass transport and thin-layer regime is described with a parameter (α), which depends on membrane composition, diffusion coefficient, scan rate, and electrode rotating speed. Once the thin-layer regime is fulfilled (α = 1), the membrane behaves in some analogy to a potentiometric sensor with a second discrimination variable (the applied potential) that allows one to operate such electrodes in a multianalyte detection mode owing to the variable applied ion-transfer potentials. The limit of detection of this regime is defined with a second parameter (β = 2) and is chosen in analogy to the definition of the detection limit for potentiometric sensors provided by the IUPAC. The analytical equations were validated through the simulation of the respective cyclic voltammograms under the same experimental conditions. While simulations of high complexity and better accuracy satisfactorily reproduced the experimental voltammograms during the forward and backward potential sweeps (companion paper 1), the semiempirical treatment here, while less accurate, is of low complexity and allows one to quite easily predict relevant experimental conditions for this emergent methodology.

Experimental Investigation of Unsteady Thrust Augmentation Using a Speaker-Driven Jet

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Wernet, Mark P.; John, Wentworth T.

2007-01-01

An experimental investigation is described in which a simple speaker-driven jet was used as a pulsed thrust source (driver) for an ejector configuration. The objectives of the investigation were twofold. The first was to expand the experimental body of evidence showing that an unsteady thrust source, combined with a properly sized ejector generally yields higher thrust augmentation values than a similarly sized, steady driver of equivalent thrust. The second objective was to identify characteristics of the unsteady driver that may be useful for sizing ejectors, and for predicting the thrust augmentation levels that may be achieved. The speaker-driven jet provided a convenient source for the investigation because it is entirely unsteady (i.e., it has no mean velocity component) and because relevant parameters such as frequency, time-averaged thrust, and diameter are easily variable. The experimental setup will be described, as will the two main measurements techniques employed. These are thrust and digital particle imaging velocimetry of the driver. It will be shown that thrust augmentation values as high as 1.8 were obtained, that the diameter of the best ejector scaled with the dimensions of the emitted vortex, and that the so-called formation time serves as a useful dimensionless parameter by which to characterize the jet and predict performance.

16 CFR 1702.9 - Relevant experimental data.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Relevant experimental data. 1702.9 Section... AND REQUIREMENTS § 1702.9 Relevant experimental data. Experimental data are generated in both animals.... Certain toxicological effects cannot generally be evaluated in human beings. This is especially true of...

16 CFR 1702.9 - Relevant experimental data.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Relevant experimental data. 1702.9 Section... AND REQUIREMENTS § 1702.9 Relevant experimental data. Experimental data are generated in both animals.... Certain toxicological effects cannot generally be evaluated in human beings. This is especially true of...

16 CFR 1702.9 - Relevant experimental data.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Relevant experimental data. 1702.9 Section... AND REQUIREMENTS § 1702.9 Relevant experimental data. Experimental data are generated in both animals.... Certain toxicological effects cannot generally be evaluated in human beings. This is especially true of...

16 CFR 1702.9 - Relevant experimental data.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Relevant experimental data. 1702.9 Section... AND REQUIREMENTS § 1702.9 Relevant experimental data. Experimental data are generated in both animals.... Certain toxicological effects cannot generally be evaluated in human beings. This is especially true of...

Theory of electronic and spin-orbit proximity effects in graphene on Cu(111)

NASA Astrophysics Data System (ADS)

Frank, Tobias; Gmitra, Martin; Fabian, Jaroslav

2016-04-01

We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene π and copper d orbitals. Our electronic structure calculations agree well with the experimentally observed features. We carry out a graphene-Cu(111) distance dependent study to obtain proximity orbital and spin-orbit coupling parameters, by fitting the DFT results to a robust low energy model Hamiltonian. We find a strong distance dependence of the Rashba and intrinsic proximity induced spin-orbit coupling parameters, which are in the meV and hundreds of μ eV range, respectively, for experimentally relevant distances. The Dirac spectrum of graphene also exhibits a proximity orbital gap, of about 20 meV. Furthermore, we find a band inversion within the graphene states accompanied by a reordering of spin and pseudospin states, when graphene is pressed towards copper.

Dissociation coefficients of protein adsorption to nanoparticles as quantitative metrics for description of the protein corona: A comparison of experimental techniques and methodological relevance.

PubMed

Hühn, Jonas; Fedeli, Chiara; Zhang, Qian; Masood, Atif; Del Pino, Pablo; Khashab, Niveen M; Papini, Emanuele; Parak, Wolfgang J

2016-06-01

Protein adsorption to nanoparticles is described as a chemical reaction in which proteins attach to binding sites on the nanoparticle surface. This process is defined by a dissociation coefficient, which tells how many proteins are adsorbed per nanoparticle in dependence of the protein concentration. Different techniques to experimentally determine dissociation coefficients of protein adsorption to nanoparticles are reviewed. Results of more than 130 experiments in which dissociation coefficients have been determined are compared. Data show that different methods, nanoparticle systems, and proteins can lead to significantly different dissociation coefficients. However, we observed a clear tendency of smaller dissociation coefficients upon less negative towards more positive zeta potentials of the nanoparticles. The zeta potential thus is a key parameter influencing protein adsorption to the surface of nanoparticles. Our analysis highlights the importance of the characterization of the parameters governing protein-nanoparticle interaction for quantitative evaluation and objective literature comparison. Copyright © 2015 Elsevier Ltd. All rights reserved.

Improved Atomistic Monte Carlo Simulations Demonstrate that Poly-L-Proline Adopts Heterogeneous Ensembles of Conformations of Semi-Rigid Segments Interrupted by Kinks

PubMed Central

Radhakrishnan, Aditya; Vitalis, Andreas; Mao, Albert H.; Steffen, Adam T.; Pappu, Rohit V.

2012-01-01

Poly-L-proline (PLP) polymers are useful mimics of biologically relevant proline-rich sequences. Biophysical and computational studies of PLP polymers in aqueous solutions are challenging because of the diversity of length scales and the slow time scales for conformational conversions. We describe an atomistic simulation approach that combines an improved ABSINTH implicit solvation model, with conformational sampling based on standard and novel Metropolis Monte Carlo moves. Refinements to forcefield parameters were guided by published experimental data for proline-rich systems. We assessed the validity of our simulation results through quantitative comparisons to experimental data that were not used in refining the forcefield parameters. Our analysis shows that PLP polymers form heterogeneous ensembles of conformations characterized by semi-rigid, rod-like segments interrupted by kinks, which result from a combination of internal cis peptide bonds, flexible backbone ψ-angles, and the coupling between ring puckering and backbone degrees of freedom. PMID:22329658

Driving Performance Under Alcohol in Simulated Representative Driving Tasks

PubMed Central

Kenntner-Mabiala, Ramona; Kaussner, Yvonne; Jagiellowicz-Kaufmann, Monika; Hoffmann, Sonja; Krüger, Hans-Peter

2015-01-01

Abstract Comparing drug-induced driving impairments with the effects of benchmark blood alcohol concentrations (BACs) is an approved approach to determine the clinical relevance of findings for traffic safety. The present study aimed to collect alcohol calibration data to validate findings of clinical trials that were derived from a representative test course in a dynamic driving simulator. The driving performance of 24 healthy volunteers under placebo and with 0.05% and 0.08% BACs was measured in a double-blind, randomized, crossover design. Trained investigators assessed the subjects’ driving performance and registered their driving errors. Various driving parameters that were recorded during the simulation were also analyzed. Generally, the participants performed worse on the test course (P < 0.05 for the investigators’ assessment) under the influence of alcohol. Consistent with the relevant literature, lane-keeping performance parameters were sensitive to the investigated BACs. There were significant differences between the alcohol and placebo conditions in most of the parameters analyzed. However, the total number of errors was the only parameter discriminating significantly between all three BAC conditions. In conclusion, data show that the present experimental setup is suitable for future psychopharmacological research. Thereby, for each drug to be investigated, we recommend to assess a profile of various parameters that address different levels of driving. On the basis of this performance profile, the total number of driving errors is recommended as the primary endpoint. However, this overall endpoint should be completed by a specifically sensitive parameter that is chosen depending on the effect known to be induced by the tested drug. PMID:25689289

Topological superconductivity in an ultrathin, magnetically-doped topological insulator proximity coupled to a conventional superconductor

NASA Astrophysics Data System (ADS)

Kim, Youngseok; Philip, Timothy M.; Park, Moon Jip; Gilbert, Matthew J.

2016-12-01

As a promising candidate system to realize topological superconductivity, the system of a 3D topological insulator (TI) grown on top of the s -wave superconductor has been extensively studied. To access the topological superconductivity experimentally, the 3D TI sample must be thin enough to allow for Cooper pair tunneling to the exposed surface of TI. The use of magnetically ordered dopants to break time-reversal symmetry may allow the surface of a TI to host Majorana fermion, which are believed to be a signature of topological superconductivity. In this work, we study a magnetically-doped thin film TI-superconductor hybrid system. Considering the proximity induced order parameter in thin film of TI, we analyze the gap closing points of the Hamiltonian and draw the phase diagram as a function of relevant parameters: the hybridization gap, Zeeman energy, and chemical potential of the TI system. Our findings provide a useful guide in choosing relevant parameters to facilitate the observation of topological superconductivity in thin film TI-superconductor hybrid systems. In addition, we further perform numerical analysis on a TI proximity coupled to an s -wave superconductor and find that, due to the spin-momentum locked nature of the surface states in TI, the induced s -wave order parameter of the surface states persists even at large magnitude of the Zeeman energy.

A new UK fission yield evaluation UKFY3.7

NASA Astrophysics Data System (ADS)

Mills, Robert William

2017-09-01

The JEFF neutron induced and spontaneous fission product yield evaluation is currently unchanged from JEFF-3.1.1, also known by its UK designation UKFY3.6A. It is based upon experimental data combined with empirically fitted mass, charge and isomeric state models which are then adjusted within the experimental and model uncertainties to conform to the physical constraints of the fission process. A new evaluation has been prepared for JEFF, called UKFY3.7, that incorporates new experimental data and replaces the current empirical models (multi-Gaussian fits of mass distribution and Wahl Zp model for charge distribution combined with parameter extrapolation), with predictions from GEF. The GEF model has the advantage that one set of parameters allows the prediction of many different fissioning nuclides at different excitation energies unlike previous models where each fissioning nuclide at a specific excitation energy had to be fitted individually to the relevant experimental data. The new UKFY3.7 evaluation, submitted for testing as part of JEFF-3.3, is described alongside initial results of testing. In addition, initial ideas for future developments allowing inclusion of new measurements types and changing from any neutron spectrum type to true neutron energy dependence are discussed. Also, a method is proposed to propagate uncertainties of fission product yields based upon the experimental data that underlies the fission yield evaluation. The covariance terms being determined from the evaluated cumulative and independent yields combined with the experimental uncertainties on the cumulative yield measurements.

First cross-section measurements of the reactions Ag,109107(p ,γ )Cd,110108 at energies relevant to the p process

NASA Astrophysics Data System (ADS)

Khaliel, A.; Mertzimekis, T. J.; Asimakopoulou, E.-M.; Kanellakopoulos, A.; Lagaki, V.; Psaltis, A.; Psyrra, I.; Mavrommatis, E.

2017-09-01

Background: One of the primary objectives of the field of Nuclear Astrophysics is the study of the elemental and isotopic abundances in the universe. Although significant progress has been made in understanding the mechanisms behind the production of a large number of nuclides in the isotopic chart, there are still many open questions regarding a number of neutron-deficient nuclei, the p nuclei. To that end, experimentally deduced nuclear reaction cross sections can provide invaluable input to astrophysical models. Purpose: The reactions Ag,109107(p ,γ )Cd,110108 have been studied at energies inside the astrophysically relevant energy window in an attempt to provide experimental data required for the testing of reaction-rate predictions in terms of the statistical model of Hauser-Feshbach around the p nucleus 108Cd. Methods: The experiments were performed with in-beam γ -ray spectroscopy with proton beams accelerated by the Tandem Van de Graaff Accelerator at NCSR "Demokritos" impinging a target of natural silver. A set of high-purity germanium detectors was employed to record the emitted radiation. Results: A first set of total cross-section measurements in radiative proton-capture reactions involving Ag,109107, producing the p -nucleus 108Cd, inside the astrophysically relevant energy window is reported. The experimental results are compared to theoretical calculations, using talys. An overall good agreement between the data and the theoretical calculations has been found. Conclusions: The results reported in this work add new information to the relatively unexplored p process. The present measurements can serve as a reference point in understanding the nuclear parameters in the related astrophysical environments and for future theoretical modeling and experimental works.

Epitope mapping of monoclonal antibody HPT-101: a study combining dynamic force spectroscopy, ELISA and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Stangner, Tim; Angioletti-Uberti, Stefano; Knappe, Daniel; Singer, David; Wagner, Carolin; Hoffmann, Ralf; Kremer, Friedrich

2015-12-01

By combining enzyme-linked immunosorbent assay (ELISA) and optical tweezers-assisted dynamic force spectroscopy (DFS), we identify for the first time the binding epitope of the phosphorylation-specific monoclonal antibody (mAb) HPT-101 to the Alzheimer's disease relevant peptide tau[pThr231/pSer235] on the level of single amino acids. In particular, seven tau isoforms are synthesized by replacing binding relevant amino acids by a neutral alanine (alanine scanning). From the binding between mAb HPT-101 and the alanine-scan derivatives, we extract specific binding parameters such as bond lifetime {τ }0, binding length {x}{ts}, free energy of activation {{Δ }}G (DFS) and affinity constant {K}{{a}} (ELISA, DFS). Based on these quantities, we propose criteria to identify essential, secondary and non-essential amino acids, being representative of the antibody binding epitope. The obtained results are found to be in full accord for both experimental techniques. In order to elucidate the microscopic origin of the change in binding parameters, we perform molecular dynamics (MD) simulations of the free epitope in solution for both its parent and modified form. By taking the end-to-end distance {d}{{E}-{{E}}} and the distance between the α-carbons {d}{{C}-{{C}}} of the phosphorylated residues as gauging parameters, we measure how the structure of the epitope depends on the type of substitution. In particular, whereas {d}{{C}-{{C}}} is sometimes conserved between the parent and modified form, {d}{{E}-{{E}}} strongly changes depending on the type of substitution, correlating well with the experimental data. These results are highly significant, offering a detailed microscopic picture of molecular recognition.

Theoretical Stark broadening parameters for spectral lines arising from the 2p5ns, 2p5np and 2p5nd electronic configurations of Mg III

NASA Astrophysics Data System (ADS)

Colón, C.; Moreno-Díaz, C.; Alonso-Medina, A.

2013-10-01

In the present work we report theoretical Stark widths and shifts calculated using the Griem semi-empirical approach, corresponding to 237 spectral lines of Mg III. Data are presented for an electron density of 1017 cm-3 and temperatures T = 0.5-10.0 (104K). The matrix elements used in these calculations have been determined from 23 configurations of Mg III: 2s22p6, 2s22p53p, 2s22p54p, 2s22p54f and 2s22p55f for even parity and 2s22p5ns (n = 3-6), 2s22p5nd (n = 3-9), 2s22p55g and 2s2p6np (n = 3-8) for odd parity. For the intermediate coupling (IC) calculations, we use the standard method of least-squares fitting from experimental energy levels by means of the Cowan computer code. Also, in order to test the matrix elements used in our calculations, we present calculated values of 70 transition probabilities of Mg III spectral lines and 14 calculated values of radiative lifetimes of Mg III levels. There is good agreement between our calculations and experimental radiative lifetimes. Spectral lines of Mg III are relevant in astrophysics and also play an important role in the spectral analysis of laboratory plasma. Theoretical trends of the Stark broadening parameter versus the temperature for relevant lines are presented. No values of Stark parameters can be found in the bibliography.

Crosstalk cancellation on linearly and circularly polarized communications satellite links

NASA Technical Reports Server (NTRS)

Overstreet, W. P.; Bostian, C. W.

1979-01-01

The paper discusses the cancellation network approach for reducing crosstalk caused by depolarization on a dual-polarized communications satellite link. If the characteristics of rain depolarization are sufficiently well known, the cancellation network can be designed in a way that reduces system complexity, the most important parameter being the phase of the cross-polarized signal. Relevant theoretical calculations and experimental data are presented. The simplicity of the cancellation system proposed makes it ideal for use with small domestic or private earth terminals.

Vapor-liquid equilibria for difluoromethane + dichloromethane at 303.2 and 313.2 K and 1,1-difluoroethane + vinyl chloride at 303.2 and 323.2 K

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

Lim, J.S.; Lee, Y.W.; Lee, Y.Y.

1997-05-01

Isothermal vapor-liquid equilibria for difluoromethane (HFC-32) + dichloromethane at 303.2 K and 313.2 K and 1,1-difluoroethane (HFC-152a) + vinyl chloride at 303.2 K and 323.2 K were measured in a circulation-type apparatus. The experimental data were correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

Isothermal vapor-liquid equilibria for the systems 1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride

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

Kang, Y.W.; Lee, Y.Y.

1997-03-01

Isothermal vapor-liquid equilibria for the three binary systems (1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride) have been measured. The experimental data for the binary systems are correlated with the NRTL equation with the vapor-phase association model for the mixtures containing hydrogen fluoride, and the relevant parameters are presented. All of the systems form minimum boiling heterogeneous azeotropes.

Fuel neutralization by ozone oxidation

NASA Technical Reports Server (NTRS)

Swartz, A. B.; Agthe, R. E.; Smith, I. D.; Mulholland, J. P.

1988-01-01

The viability of a hazardous waste disposal system based on ozone oxidation of hydrazine fuels at low aqueous concentrations in the presence of ultraviolet light (UV at 2.537 x 10(exp -7) m or 8.324 x 10(exp -7) ft) excitation was investigated. Important parameters investigated include temperature, solution pH, and ultraviolet light power. Statistically relevant experimentation was done to estimate main factor effects on performance. The best available chemical analysis technology was used to evaluate the performance of the system.

Experimental analysis of Nd-YAG laser cutting of sheet materials - A review

NASA Astrophysics Data System (ADS)

Sharma, Amit; Yadava, Vinod

2018-01-01

Cutting of sheet material is considered as an important process due to its relevance among products of everyday life such as aircrafts, ships, cars, furniture etc. Among various sheet cutting processes (ASCPs), laser beam cutting is one of the most capable ASCP to create complex geometries with stringent design requirements in difficult-to-cut sheet materials. Based on the recent research work in the area of sheet cutting, it is found that the Nd-YAG laser is used for cutting of sheet material in general and reflective sheet material in particular. This paper reviews the experimental analysis of Nd-YAG laser cutting process, carried out to study the influence of laser cutting parameters on the process performance index. The significance of experimental modeling and different optimization approaches employed by various researchers has also been discussed in this study.

Computational Biorheology of Human Blood Flow in Health and Disease

PubMed Central

Fedosov, Dmitry A.; Dao, Ming; Karniadakis, George Em; Suresh, Subra

2014-01-01

Hematologic disorders arising from infectious diseases, hereditary factors and environmental influences can lead to, and can be influenced by, significant changes in the shape, mechanical and physical properties of red blood cells (RBCs), and the biorheology of blood flow. Hence, modeling of hematologic disorders should take into account the multiphase nature of blood flow, especially in arterioles and capillaries. We present here an overview of a general computational framework based on dissipative particle dynamics (DPD) which has broad applicability in cell biophysics with implications for diagnostics, therapeutics and drug efficacy assessments for a wide variety of human diseases. This computational approach, validated by independent experimental results, is capable of modeling the biorheology of whole blood and its individual components during blood flow so as to investigate cell mechanistic processes in health and disease. DPD is a Lagrangian method that can be derived from systematic coarse-graining of molecular dynamics but can scale efficiently up to arterioles and can also be used to model RBCs down to the spectrin level. We start from experimental measurements of a single RBC to extract the relevant biophysical parameters, using single-cell measurements involving such methods as optical tweezers, atomic force microscopy and micropipette aspiration, and cell-population experiments involving microfluidic devices. We then use these validated RBC models to predict the biorheological behavior of whole blood in healthy or pathological states, and compare the simulations with experimental results involving apparent viscosity and other relevant parameters. While the approach discussed here is sufficiently general to address a broad spectrum of hematologic disorders including certain types of cancer, this paper specifically deals with results obtained using this computational framework for blood flow in malaria and sickle cell anemia. PMID:24419829

Experimental investigation of dynamic impact of firearm with suppressor

NASA Astrophysics Data System (ADS)

Kilikevicius, Arturas; Skeivalas, Jonas; Jurevicius, Mindaugas; Turla, Vytautas; Kilikeviciene, Kristina; Bureika, Gintautas; Jakstas, Arunas

2017-09-01

The internal ballistics processes occur in the tube during firearm firing. They cause tremendous vibratory shock forces and robust sounds. The determination of these dynamic parameters is relevant in order to reasonably estimate the firearm ergonomic and noise reduction features. The objective of this study is to improve the reliability of the results of measuring a firearm suppressor's dynamic parameters. The analysis of indicator stability is based on an assessment of dynamic parameters and setting the correlation during experimental research. An examination of the spread of intensity of firearm with suppressor dynamic vibration and an analysis of its signals upon applying the theory of covariance functions are carried out in this paper. The results of measuring the intensity of vibrations in fixed points of a firearm and a shooter have been recorded on a time scale in the form of data arrays (matrices). The estimates of covariance functions between the arrays of digital results in measuring the intensity of firearm vibrations and the estimates of covariance functions of single arrays have been calculated upon changing the quantization interval on the time scale. Software Matlab 7 has been applied in the calculation. Finally, basic conclusions are given.

Modal Parameters Evaluation in a Full-Scale Aircraft Demonstrator under Different Environmental Conditions Using HS 3D-DIC.

PubMed

Molina-Viedma, Ángel Jesús; López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A; Rodríguez-Ahlquist, Javier; Iglesias-Vallejo, Manuel

2018-02-02

In real aircraft structures the comfort and the occupational performance of crewmembers and passengers are affected by the presence of noise. In this sense, special attention is focused on mechanical and material design for isolation and vibration control. Experimental characterization and, in particular, experimental modal analysis, provides information for adequate cabin noise control. Traditional sensors employed in the aircraft industry for this purpose are invasive and provide a low spatial resolution. This paper presents a methodology for experimental modal characterization of a front fuselage full-scale demonstrator using high-speed 3D digital image correlation, which is non-invasive, ensuring that the structural response is unperturbed by the instrumentation mass. Specifically, full-field measurements on the passenger window area were conducted when the structure was excited using an electrodynamic shaker. The spectral analysis of the measured time-domain displacements made it possible to identify natural frequencies and full-field operational deflection shapes. Changes in the modal parameters due to cabin pressurization and the behavior of different local structural modifications were assessed using this methodology. The proposed full-field methodology allowed the characterization of relevant dynamic response patterns, complementing the capabilities provided by accelerometers.

Periodic flow hydrodynamic resistance parameters for woven screen matrices at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Perrella, M. D.; Ghiaasiaan, S. M.

2017-12-01

The regenerator is a critical component in all Stirling and Pulse Tube cryocoolers. It generally consists of a microporous metallic or rare-earth filler material contained within a cylindrical shell. Accurate modelling of the hydrodynamic and thermal behaviour of different regenerator materials is crucial to the successful design of cryogenic systems. Previous investigations have used experimental measurements at steady and periodic flow conditions in conjunction with pore-level CFD analysis to determine the pertinent hydrodynamic parameters, namely the Darcy permeability and Forchheimer coefficients. Due to the difficulty associated with experimental measurement at cryogenic temperatures, past investigations were mostly performed at ambient conditions and their results are assumed to be appropriate for cryogenic temperatures. In this study, a regenerator filled with woven screen matrices such as 400 mesh T316 stainless steel were assembled and experimentally tested under periodic helium flow at cryogenic temperatures. The mass flow and pressure drop data were analysed using CFD to determine the dimensionless friction factor, Darcy Permeability and Forchheimer coefficients. These results are compared to previous investigations at ambient temperature conditions, and the relevance of room-temperature models and correlations to cryogenic temperatures is critically assessed.

Modal Parameters Evaluation in a Full-Scale Aircraft Demonstrator under Different Environmental Conditions Using HS 3D-DIC

PubMed Central

López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A.; Rodríguez-Ahlquist, Javier; Iglesias-Vallejo, Manuel

2018-01-01

In real aircraft structures the comfort and the occupational performance of crewmembers and passengers are affected by the presence of noise. In this sense, special attention is focused on mechanical and material design for isolation and vibration control. Experimental characterization and, in particular, experimental modal analysis, provides information for adequate cabin noise control. Traditional sensors employed in the aircraft industry for this purpose are invasive and provide a low spatial resolution. This paper presents a methodology for experimental modal characterization of a front fuselage full-scale demonstrator using high-speed 3D digital image correlation, which is non-invasive, ensuring that the structural response is unperturbed by the instrumentation mass. Specifically, full-field measurements on the passenger window area were conducted when the structure was excited using an electrodynamic shaker. The spectral analysis of the measured time-domain displacements made it possible to identify natural frequencies and full-field operational deflection shapes. Changes in the modal parameters due to cabin pressurization and the behavior of different local structural modifications were assessed using this methodology. The proposed full-field methodology allowed the characterization of relevant dynamic response patterns, complementing the capabilities provided by accelerometers. PMID:29393897

Triaxial quadrupole dynamics and the inner fission barrier of some heavy even-even nuclei

NASA Astrophysics Data System (ADS)

Benrabia, K.; Medjadi, D. E.; Imadalou, M.; Quentin, P.

2017-09-01

Background: Inner fission barriers of actinide nuclei have been known for a long time to be unstable with respect to the axial symmetry. On the other hand, taking into account the effect of the relevant adiabatic mass parameter reduces or even may wash out this instability. A proper treatment of the dynamics for both axial and triaxial modes is thus crucial to accurately determine the corresponding fission barriers. This entails in particular an accurate description of pairing correlations. Purpose: We evaluate the potential energies, moments of inertia, and vibrational mass parameters in a two-dimensional relevant deformation space (corresponding to the usual β and γ quadrupole deformation parameters) for four actinide nuclei (236U, 240Pu, 248Cm, and 252Cf). We assess the relevance of our approach to describe the dynamics for a triaxial mode by computing the low energy spectra (exploring thus mainly the equilibrium deformation region). We evaluate the inner fission barrier heights releasing the axial symmetry constraint. Method: Calculations within the Hartree-Fock plus BCS approach are performed using the SkM* Skyrme effective interaction in the particle-hole channel and a seniority force in the particle-particle channel. The intensity of this residual interaction has been fixed to allow a good reproduction of some odd-even mass differences in the actinide region. Adiabatic mass parameters for the rotational and vibrational modes are calculated using the Inglis-Belyaev formula supplemented by a global renormalization factor taking into account the so-called Thouless-Valatin corrections. Spectra are obtained through the diagonalization of the corresponding Bohr collective Hamiltonian. Results: The experimental low energy spectra are qualitatively well reproduced by our calculations for the considered nuclei. Inner fission barrier heights are calculated and compared with available estimates from various experimental data. The reproduction of the data is better for 236U and 240Pu (up to about 300 keV) than for 248Cm and 252Cf (up to about one MeV). Conclusions: While these results are encouraging, they call for, in particular, a better treatment of pairing correlations, especially as far as the particle number conservation is concerned. Besides, these results could provide a basis for the determination of the least action trajectories which would generate better grounds for the evaluation of fission half lives.

16 CFR § 1702.9 - Relevant experimental data.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Relevant experimental data. § 1702.9...; PETITION PROCEDURES AND REQUIREMENTS § 1702.9 Relevant experimental data. Experimental data are generated... true of those substances which are not normally intended to be used in or on the human body or animal...

A Quantitative Model of Early Atherosclerotic Plaques Parameterized Using In Vitro Experiments.

PubMed

Thon, Moritz P; Ford, Hugh Z; Gee, Michael W; Myerscough, Mary R

2018-01-01

There are a growing number of studies that model immunological processes in the artery wall that lead to the development of atherosclerotic plaques. However, few of these models use parameters that are obtained from experimental data even though data-driven models are vital if mathematical models are to become clinically relevant. We present the development and analysis of a quantitative mathematical model for the coupled inflammatory, lipid and macrophage dynamics in early atherosclerotic plaques. Our modeling approach is similar to the biologists' experimental approach where the bigger picture of atherosclerosis is put together from many smaller observations and findings from in vitro experiments. We first develop a series of three simpler submodels which are least-squares fitted to various in vitro experimental results from the literature. Subsequently, we use these three submodels to construct a quantitative model of the development of early atherosclerotic plaques. We perform a local sensitivity analysis of the model with respect to its parameters that identifies critical parameters and processes. Further, we present a systematic analysis of the long-term outcome of the model which produces a characterization of the stability of model plaques based on the rates of recruitment of low-density lipoproteins, high-density lipoproteins and macrophages. The analysis of the model suggests that further experimental work quantifying the different fates of macrophages as a function of cholesterol load and the balance between free cholesterol and cholesterol ester inside macrophages may give valuable insight into long-term atherosclerotic plaque outcomes. This model is an important step toward models applicable in a clinical setting.

Ablation of clinically relevant kidney tissue volumes by high-intensity focused ultrasound: Preliminary results of standardized ex-vivo investigations.

PubMed

Häcker, Axel; Peters, Kristina; Knoll, Thomas; Marlinghaus, Ernst; Alken, Peter; Jenne, Jürgen W; Michel, Maurice Stephan

2006-11-01

To investigate strategies to achieve confluent kidney-tissue ablation by high-intensity focused ultrasound (HIFU). Our model of the perfused ex-vivo porcine kidney was used. Tissue ablation was performed with an experimental HIFU device (Storz Medical, Kreuzlingen, Switzerland). Lesion-to-lesion interaction was investigated by varying the lesion distance (5 to 2.5 mm), generator power (300, 280, and 260 W), cooling time (10, 20, and 30 seconds), and exposure time (4, 3, and 2 seconds). The lesion rows were analyzed grossly and by histologic examination (hematoxylin-eosin and nicotinamide adenine dinucleotide staining). It was possible to achieve complete homogeneous ablation of a clinically relevant tissue volume but only by meticulous adjustment of the exposure parameters. Minimal changes in these parameters caused changes in lesion formation with holes within the lesions and lesion-to-lesion interaction. Our preliminary results show that when using this new device, HIFU can ablate a large tissue volume homogeneously in perfused ex-vivo porcine tissue under standardized conditions with meticulous adjustment of exposure parameters. Further investigations in vivo are necessary to test whether large tissue volumes can be ablated completely and reliably despite the influence of physiologic tissue and organ movement.

3D numerical simulations of negative hydrogen ion extraction using realistic plasma parameters, geometry of the extraction aperture and full 3D magnetic field map

NASA Astrophysics Data System (ADS)

Mochalskyy, S.; Wünderlich, D.; Ruf, B.; Franzen, P.; Fantz, U.; Minea, T.

2014-02-01

Decreasing the co-extracted electron current while simultaneously keeping negative ion (NI) current sufficiently high is a crucial issue on the development plasma source system for ITER Neutral Beam Injector. To support finding the best extraction conditions the 3D Particle-in-Cell Monte Carlo Collision electrostatic code ONIX (Orsay Negative Ion eXtraction) has been developed. Close collaboration with experiments and other numerical models allows performing realistic simulations with relevant input parameters: plasma properties, geometry of the extraction aperture, full 3D magnetic field map, etc. For the first time ONIX has been benchmarked with commercial positive ions tracing code KOBRA3D. A very good agreement in terms of the meniscus position and depth has been found. Simulation of NI extraction with different e/NI ratio in bulk plasma shows high relevance of the direct negative ion extraction from the surface produced NI in order to obtain extracted NI current as in the experimental results from BATMAN testbed.

Slice cultures of the imprinting-relevant forebrain area MNH of the domestic chick: quantitative characterization of neuronal morphology.

PubMed

Hofmann, H; Braun, K

1995-05-26

The persistence of morphological features of neurons in slice cultures of the imprinting-relevant forebrain area MNH (mediorostral neostriatum and hyperstriatum ventrale) of the domestic chick was analysed at 7, 14, 21 and 28 days in vitro. After having been explanted and kept in culture the neurons in vitro have larger soma areas, longer and more extensively branched dendritic trees and lower spine frequencies compared to the neurons in vivo. During the analyzed culturing period, the parameters soma area, total and mean dendritic length, number of dendrites, number of dendritic nodes per dendrite and per neuron as well as the spine densities in different dendritic segments showed no significant differences between early and late periods. Highly correlated in every age group were the total dendritic length and the number of dendritic nodes per neuron, indicating regular ramification during dendritic growth. Since these morphological parameters remain stable during the first 4 weeks in vitro, this culture system may provide a suitable model to investigate experimentally induced morphological changes.

Lithium-ion battery state of function estimation based on fuzzy logic algorithm with associated variables

NASA Astrophysics Data System (ADS)

Gan, L.; Yang, F.; Shi, Y. F.; He, H. L.

2017-11-01

Many occasions related to batteries demand to know how much continuous and instantaneous power can batteries provide such as the rapidly developing electric vehicles. As the large-scale applications of lithium-ion batteries, lithium-ion batteries are used to be our research object. Many experiments are designed to get the lithium-ion battery parameters to ensure the relevance and reliability of the estimation. To evaluate the continuous and instantaneous load capability of a battery called state-of-function (SOF), this paper proposes a fuzzy logic algorithm based on battery state-of-charge(SOC), state-of-health(SOH) and C-rate parameters. Simulation and experimental results indicate that the proposed approach is suitable for battery SOF estimation.

Testing Nonclassical Theories of Electromagnetism with Ion Interferometry

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

Neyenhuis, B.; Christensen, D.; Durfee, D. S.

2007-11-16

We discuss using a tabletop ion interferometer to search for deviations from Coulomb's inverse-square law. Such deviations would result from nonclassical effects such as a nonzero photon rest mass. We discuss the theory behind the proposed measurement, explain which fundamental, experimentally controllable parameters are the relevant figures of merit, and calculate the expected performance of such a device in terms of these parameters. The sensitivity to deviations in the exponent of the inverse-square law is predicted to be a few times 10{sup -22}, an improvement by 5 orders of magnitude over current experiments. It could measure a nonzero photon restmore » mass smaller than 9x10{sup -50} grams, nearly 100 times smaller than current laboratory experiments.« less

Physical modelling of the nuclear pore complex

PubMed Central

Fassati, Ariberto; Ford, Ian J.; Hoogenboom, Bart W.

2013-01-01

Physically interesting behaviour can arise when soft matter is confined to nanoscale dimensions. A highly relevant biological example of such a phenomenon is the Nuclear Pore Complex (NPC) found perforating the nuclear envelope of eukaryotic cells. In the central conduit of the NPC, of ∼30–60 nm diameter, a disordered network of proteins regulates all macromolecular transport between the nucleus and the cytoplasm. In spite of a wealth of experimental data, the selectivity barrier of the NPC has yet to be explained fully. Experimental and theoretical approaches are complicated by the disordered and heterogeneous nature of the NPC conduit. Modelling approaches have focused on the behaviour of the partially unfolded protein domains in the confined geometry of the NPC conduit, and have demonstrated that within the range of parameters thought relevant for the NPC, widely varying behaviour can be observed. In this review, we summarise recent efforts to physically model the NPC barrier and function. We illustrate how attempts to understand NPC barrier function have employed many different modelling techniques, each of which have contributed to our understanding of the NPC.

Experimental study of the response functions of direct-reading instruments measuring surface-area concentration of airborne nanostructured particles

NASA Astrophysics Data System (ADS)

Bau, Sébastien; Witschger, Olivier; Gensdarmes, François; Thomas, Dominique

2009-05-01

An increasing number of experimental and theoretical studies focus on airborne nanoparticles (NP) in relation with many aspects of risk assessment to move forward our understanding of the hazards, the actual exposures in the workplace, and the limits of engineering controls and personal protective equipment with regard to NP. As a consequence, generating airborne NP with controlled properties constitutes an important challenge. In parallel, toxicological studies have been carried out, and most of them support the concept that surface-area could be a relevant metric for characterizing exposure to airborne NP [1]. To provide NP surface-area concentration measurements, some direct-reading instruments have been designed, based on attachment rate of unipolar ions to NP by diffusion. However, very few information is available concerning the performances of these instruments and the parameters that could affect their responses. In this context, our work aims at characterizing the actual available instruments providing airborne NP surface-area concentration. The instruments (a- LQ1-DC, Matter Engineering; b-AeroTrak™ 9000, TSI; c- NSAM, TSI model 3550;) are thought to be relevant for further workplace exposure characterization and monitoring. To achieve our work, an experimental facility (named CAIMAN) was specially designed, built and characterized.

Electric field control in DC cable test termination by nano silicone rubber composite

NASA Astrophysics Data System (ADS)

Song, Shu-Wei; Li, Zhongyuan; Zhao, Hong; Zhang, Peihong; Han, Baozhong; Fu, Mingli; Hou, Shuai

2017-07-01

The electric field distributions in high voltage direct current cable termination are investigated with silicone rubber nanocomposite being the electric stress control insulator. The nanocomposite is composed of silicone rubber, nanoscale carbon black and graphitic carbon. The experimental results show that the physical parameters of the nanocomposite, such as thermal activation energy and nonlinearity-relevant coefficient, can be manipulated by varying the proportion of the nanoscale fillers. The numerical simulation shows that safe electric field distribution calls for certain parametric region of the thermal activation energy and nonlinearity-relevant coefficient. Outside the safe parametric region, local maximum of electric field strength around the stress cone appears in the termination insulator, enhancing the breakdown of the cable termination. In the presence of the temperature gradient, thermal activation energy and nonlinearity-relevant coefficient work as complementary factors to produce a reasonable electric field distribution. The field maximum in the termination insulator show complicate variation in the transient processes. The stationary field distribution favors the increase of the nonlinearity-relevant coefficient; for the transient field distribution in the process of negative lighting impulse, however, an optimized value of the nonlinearity-relevant coefficient is necessary to equalize the electric field in the termination.

Using machine learning tools to model complex toxic interactions with limited sampling regimes.

PubMed

Bertin, Matthew J; Moeller, Peter; Guillette, Louis J; Chapman, Robert W

2013-03-19

A major impediment to understanding the impact of environmental stress, including toxins and other pollutants, on organisms, is that organisms are rarely challenged by one or a few stressors in natural systems. Thus, linking laboratory experiments that are limited by practical considerations to a few stressors and a few levels of these stressors to real world conditions is constrained. In addition, while the existence of complex interactions among stressors can be identified by current statistical methods, these methods do not provide a means to construct mathematical models of these interactions. In this paper, we offer a two-step process by which complex interactions of stressors on biological systems can be modeled in an experimental design that is within the limits of practicality. We begin with the notion that environment conditions circumscribe an n-dimensional hyperspace within which biological processes or end points are embedded. We then randomly sample this hyperspace to establish experimental conditions that span the range of the relevant parameters and conduct the experiment(s) based upon these selected conditions. Models of the complex interactions of the parameters are then extracted using machine learning tools, specifically artificial neural networks. This approach can rapidly generate highly accurate models of biological responses to complex interactions among environmentally relevant toxins, identify critical subspaces where nonlinear responses exist, and provide an expedient means of designing traditional experiments to test the impact of complex mixtures on biological responses. Further, this can be accomplished with an astonishingly small sample size.

Charactrisation of particle assemblies by 3D cross correlation light scattering and diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Scheffold, Frank

2014-08-01

To characterize the structural and dynamic properties of soft materials and small particles, information on the relevant mesoscopic length scales is required. Such information is often obtained from traditional static and dynamic light scattering (SLS/DLS) experiments in the single scattering regime. In many dense systems, however, these powerful techniques frequently fail due to strong multiple scattering of light. Here I will discuss some experimental innovations that have emerged over the last decade. New methods such as 3D static and dynamic light scattering (3D LS) as well as diffusing wave spectroscopy (DWS) can cover a much extended range of experimental parameters ranging from dilute polymer solutions, colloidal suspensions to extremely opaque viscoelastic emulsions.

Numerical Investigation of the Performance of a Supersonic Combustion Chamber and Comparison with Experiments

NASA Astrophysics Data System (ADS)

Banica, M. C.; Chun, J.; Scheuermann, T.; Weigand, B.; Wolfersdorf, J. v.

2009-01-01

Scramjet powered vehicles can decrease costs for access to space but substantial obstacles still exist in their realization. For example, experiments in the relevant Mach number regime are difficult to perform and flight testing is expensive. Therefore, numerical methods are often employed for system layout but they require validation against experimental data. Here, we validate the commercial code CFD++ against experimental results for hydrogen combustion in the supersonic combustion facility of the Institute of Aerospace Thermodynamics (ITLR) at the Universität Stuttgart. Fuel is injected through a lobed a strut injector, which provides rapid mixing. Our numerical data shows reasonable agreement with experiments. We further investigate effects of varying equivalence ratios on several important performance parameters.

Vapor-liquid equilibria for the systems composed of 1-chloro-1,1-difluoroethane, 1,1-dichloro-1-fluoroethane, and 1,1,1-trichloroethane at 50.1 C

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

Kang, Y.W.; Lee, Y.Y.

1996-03-01

Isothermal vapor-liquid equilibria for the three binary systems 1-chloro-1,1-difluoroethane + 1,1-dichloro-1-fluoroethane, 1-chloro-1,1-difluoroethane + 1,1,1-trichloroethane, and 1,1-dichloro-1-fluoroethane + 1,1,1-trichloroethane and the ternary system 1-chloro-1,1-difluoromethane + 1,1-dichloro-1-fluoroethane + 1,1,1-trichloroethane have been measured at 50.1 C. The experimental data for the binary systems are correlated with the Peng-Robinson equation of state, and the relevant parameters are presented. The predicted results for the ternary system were found to be in good agreement with the experimental data.

Experimental Evaluation of a Water Shield for a Surface Power Reactor

NASA Technical Reports Server (NTRS)

Pearson, J. B.; Reid, R.; Sadasivan, P.; Stewart, E.

2007-01-01

A water based shielding system is being investigated for use on initial lunar surface power systems. The use of water may lower overall cost (as compared to development cost for other materials) and simplify operations in the setup and handling. The thermal hydraulic performance of the shield is of significant interest. The mechanism for transferring heat through the shield is natural convection. A representative lunar surface reactor design is evaluated at various power levels in the Water Shield Testbed (WST) at the NASA Marshall Space Flight Center. The evaluation compares the experimental data from the WST to CFD models. Performance of a water shield on the lunar surface is predicted by CFD models anchored to test data, and by matching relevant dimensionless parameters.

Crystal Growth Simulations To Establish Physically Relevant Kinetic Parameters from the Empirical Kolmogorov-Johnson-Mehl-Avrami Model

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

Dill, Eric D.; Folmer, Jacob C.W.; Martin, James D.

A series of simulations was performed to enable interpretation of the material and physical significance of the parameters defined in the Kolmogorov, Johnson and Mehl, and Avrami (KJMA) rate expression commonly used to describe phase boundary controlled reactions of condensed matter. The parameters k, n, and t 0 are shown to be highly correlated, which if unaccounted for seriously challenge mechanistic interpretation. It is demonstrated that rate measurements exhibit an intrinsic uncertainty without precise knowledge of the location and orientation of nucleation with respect to the free volume into which it grows. More significantly, it is demonstrated that the KJMAmore » rate constant k is highly dependent on sample size. However, under the simulated conditions of slow nucleation relative to crystal growth, sample volume and sample anisotropy correction affords a means to eliminate the experimental condition dependence of the KJMA rate constant, k, producing the material-specific parameter, the velocity of the phase boundary, v pb.« less

Edge instability in incompressible planar active fluids

NASA Astrophysics Data System (ADS)

Nesbitt, David; Pruessner, Gunnar; Lee, Chiu Fan

2017-12-01

Interfacial instability is highly relevant to many important biological processes. A key example arises in wound healing experiments, which observe that an epithelial layer with an initially straight edge does not heal uniformly. We consider the phenomenon in the context of active fluids. Improving upon the approximation used by Zimmermann, Basan, and Levine [Eur. Phys. J.: Spec. Top. 223, 1259 (2014), 10.1140/epjst/e2014-02189-7], we perform a linear stability analysis on a two-dimensional incompressible hydrodynamic model of an active fluid with an open interface. We categorize the stability of the model and find that for experimentally relevant parameters, fingering instability is always absent in this minimal model. Our results point to the crucial role of density variation in the fingering instability in tissue regeneration.

Vibrations of single-crystal gold nanorods and nanowires

NASA Astrophysics Data System (ADS)

Saviot, L.

2018-04-01

The vibrations of gold nanowires and nanorods are investigated numerically in the framework of continuum elasticity using the Rayleigh-Ritz variational method. Special attention is paid to identify the vibrations relevant in Raman scattering experiments. A comprehensive description of the vibrations of nanorods is proposed by determining their symmetry, comparing with standing waves in the corresponding nanowires, and estimating their Raman intensity. The role of experimentally relevant parameters such as the anisotropic cubic lattice structure, the presence of faceted lateral surfaces, and the shape of the ends of the nanorods is evaluated. Elastic anisotropy is shown to play a significant role contrarily to the presence of facets. Localized vibrations are found for nanorods with flat ends. Their evolution as the shape of the ends is changed to half-spheres is discussed.

Reconnection Scaling Experiment (RSX): Magnetic Reconnection in Linear Geometry

NASA Astrophysics Data System (ADS)

Intrator, T.; Sovinec, C.; Begay, D.; Wurden, G.; Furno, I.; Werley, C.; Fisher, M.; Vermare, L.; Fienup, W.

2001-10-01

The linear Reconnection Scaling Experiment (RSX) at LANL is a new experiment that can create MHD relevant plasmas to look at the physics of magnetic reconnection. This experiment can scale many relevant parameters because the guns that generate the plasma and current channels do not depend on equilibrium or force balance for startup. We describe the experiment and initial electrostatic and magnetic probe data. Two parallel current channels sweep down a long plasma column and probe data accumulated over many shots gives 3D movies of magnetic reconnection. Our first data tries to define an operating regime free from kink instabilities that might otherwise confuse the data and shot repeatability. We compare this with MHD 2 fluid NIMROD simulations of the single current channel kink stability boundary for a variety of experimental conditions.

Mathematical Model Relating Uniaxial Compressive Behavior of Manufactured Sand Mortar to MIP-Derived Pore Structure Parameters

PubMed Central

Tian, Zhenghong; Bu, Jingwu

2014-01-01

The uniaxial compression response of manufactured sand mortars proportioned using different water-cement ratio and sand-cement ratio is examined. Pore structure parameters such as porosity, threshold diameter, mean diameter, and total amounts of macropores, as well as shape and size of micropores are quantified by using mercury intrusion porosimetry (MIP) technique. Test results indicate that strains at peak stress and compressive strength decreased with the increasing sand-cement ratio due to insufficient binders to wrap up entire sand. A compression stress-strain model of normal concrete extending to predict the stress-strain relationships of manufactured sand mortar is verified and agreed well with experimental data. Furthermore, the stress-strain model constant is found to be influenced by threshold diameter, mean diameter, shape, and size of micropores. A mathematical model relating stress-strain model constants to the relevant pore structure parameters of manufactured sand mortar is developed. PMID:25133257

Classifying the Basic Parameters of Ultraviolet Copper Bromide Laser

NASA Astrophysics Data System (ADS)

Gocheva-Ilieva, S. G.; Iliev, I. P.; Temelkov, K. A.; Vuchkov, N. K.; Sabotinov, N. V.

2009-10-01

The performance of deep ultraviolet copper bromide lasers is of great importance because of their applications in medicine, microbiology, high-precision processing of new materials, high-resolution laser lithography in microelectronics, high-density optical recording of information, laser-induced fluorescence in plasma and wide-gap semiconductors and more. In this paper we present a statistical study on the classification of 12 basic lasing parameters, by using different agglomerative methods of cluster analysis. The results are based on a big amount of experimental data for UV Cu+ Ne-CuBr laser with wavelengths 248.6 nm, 252.9 nm, 260.0 nm and 270.3 nm, obtained in Georgi Nadjakov Institute of Solid State Physics, Bulgarian Academy of Sciences. The relevant influence of parameters on laser generation is also evaluated. The results are applicable in computer modeling and planning the experiments and further laser development with improved output characteristics.

Accuracy in planar cutting of bones: an ISO-based evaluation.

PubMed

Cartiaux, Olivier; Paul, Laurent; Docquier, Pierre-Louis; Francq, Bernard G; Raucent, Benoît; Dombre, Etienne; Banse, Xavier

2009-03-01

Computer- and robot-assisted technologies are capable of improving the accuracy of planar cutting in orthopaedic surgery. This study is a first step toward formulating and validating a new evaluation methodology for planar bone cutting, based on the standards from the International Organization for Standardization. Our experimental test bed consisted of a purely geometrical model of the cutting process around a simulated bone. Cuts were performed at three levels of surgical assistance: unassisted, computer-assisted and robot-assisted. We measured three parameters of the standard ISO1101:2004: flatness, parallelism and location of the cut plane. The location was the most relevant parameter for assessing cutting errors. The three levels of assistance were easily distinguished using the location parameter. Our ISO methodology employs the location to obtain all information about translational and rotational cutting errors. Location may be used on any osseous structure to compare the performance of existing assistance technologies.

Mathematical model relating uniaxial compressive behavior of manufactured sand mortar to MIP-derived pore structure parameters.

PubMed

Tian, Zhenghong; Bu, Jingwu

2014-01-01

The uniaxial compression response of manufactured sand mortars proportioned using different water-cement ratio and sand-cement ratio is examined. Pore structure parameters such as porosity, threshold diameter, mean diameter, and total amounts of macropores, as well as shape and size of micropores are quantified by using mercury intrusion porosimetry (MIP) technique. Test results indicate that strains at peak stress and compressive strength decreased with the increasing sand-cement ratio due to insufficient binders to wrap up entire sand. A compression stress-strain model of normal concrete extending to predict the stress-strain relationships of manufactured sand mortar is verified and agreed well with experimental data. Furthermore, the stress-strain model constant is found to be influenced by threshold diameter, mean diameter, shape, and size of micropores. A mathematical model relating stress-strain model constants to the relevant pore structure parameters of manufactured sand mortar is developed.

Pilot study of bipolar radiofrequency-induced anastomotic thermofusion-exploration of therapy parameters ex vivo.

PubMed

Winter, Hanno; Holmer, Christoph; Buhr, Heinz-Johannes; Lindner, Gerd; Lauster, Roland; Kraft, Marc; Ritz, Jörg-Peter

2010-01-01

Vessel sealing has been well-established in surgical practice in recent years. Bipolar radiofrequency-induced thermofusion (BIRTH) of intestinal tissue might replace traditionally used staples or sutures in the near future. In this experimental study, the influence of compressive pressure, fusion temperature, and duration of heating on the quality of intestinal anastomosis was investigated to obtain the relevant major parameters for the in vivo use of this system. An experimental setup for a closed-loop temperature-controlled bipolar radiofrequency-induced thermofusion of porcine intestinal tissue was developed. Twenty-four colon samples were harvested from nine different Saalower-Kräuter pigs and then anastomosed altering compressive pressure on five different levels to explore its influence on anastomotic bursting pressure. The anastomotic bursting strength depends on the compressive pressure applied to the colonic fusion site. An optimal interval of compressive pressure (CP = 1.125 N/mm(2)) in respect of a high amount of burst pressure was detected. A correlation (r = 0.54, p = 0.015) of burst pressure to delta compression indicated that increasing colonic wall thickness probably strengthens the anastomotic fusion. This study is a first step to enlighten the major parameters of tissue fusion, though effects and interactions of various main parameters of bipolar radiofrequency-induced thermofusion of colonic tissue remain unclear. Further studies exploring the main effects and interactions of tissue and process parameters to the quality of the fusion site have to follow.

Pelvis and lower limb anatomical landmark calibration precision and its propagation to bone geometry and joint angles.

PubMed

della Croce, U; Cappozzo, A; Kerrigan, D C

1999-03-01

Human movement analysis using stereophotogrammetry is based on the reconstruction of the instantaneous laboratory position of selected bony anatomical landmarks (AL). For this purpose, knowledge of an AL's position in relevant bone-embedded frames is required. Because ALs are not points but relatively large and curved areas, their identification by palpation or other means is subject to both intra- and inter-examiner variability. In addition, the local position of ALs, as reconstructed using an ad hoc experimental procedure (AL calibration), is affected by photogrammetric errors. The intra- and inter-examiner precision with which local positions of pelvis and lower limb palpable bony ALs can be identified and reconstructed were experimentally assessed. Six examiners and two subjects participated in the study. Intra- and inter-examiner precision (RMS distance from the mean position) resulted in the range 6-21 mm and 13-25 mm, respectively. Propagation of the imprecision of ALs to the orientation of bone-embedded anatomical frames and to hip, knee and ankle joint angles was assessed. Results showed that this imprecision may cause distortion in joint angle against time functions to the extent that information relative to angular movements in the range of 10 degrees or lower may be concealed. Bone geometry parameters estimated using the same data showed that the relevant precision does not allow for reliable bone geometry description. These findings, together with those relative to skin movement artefacts reported elsewhere, assist the human movement analyst's consciousness of the possible limitations involved in 3D movement analysis using stereophotogrammetry and call for improvements of the relevant experimental protocols.

Evaluating the environmental parameters that determine aerobic biodegradation half-lives of pesticides in soil with a multivariable approach.

PubMed

Wang, Yuxin; Lai, Adelene; Latino, Diogo; Fenner, Kathrin; Helbling, Damian E

2018-06-14

Aerobic biodegradation half-lives (half-lives) are key parameters used to evaluate pesticide persistence in soil. However, half-life estimates for individual pesticides often span several orders of magnitude, reflecting the impact that various environmental or experimental parameters have on half-lives in soil. In this work, we collected literature-reported half-lives for eleven pesticides along with associated metadata describing the environmental or experimental conditions under which they were derived. We then developed a multivariable framework to discover relationships between the half-lives and associated metadata. We first compared data for the herbicide atrazine collected from 95 laboratory and 65 field studies. We discovered that atrazine application history and soil texture were the parameters that have the largest influence on the observed half-lives in both types of studies. We then extended the analysis to include ten additional pesticides with data collected exclusively from laboratory studies. We found that, when data were available, pesticide application history and biomass concentrations were always positively associated with half-lives. The relevance of other parameters varied among the pesticides, but in some cases the variability could be explained by the physicochemical properties of the pesticides. For example, we found that the relative significance of the organic carbon content of soil for determining half-lives depends on the relative solubility of the pesticide. Altogether, our analyses highlight the reciprocal influence of both environmental parameters and intrinsic physicochemical properties for determining half-lives in soil. Copyright © 2018 Elsevier Ltd. All rights reserved.

Stress-based animal models of depression: Do we actually know what we are doing?

PubMed

Yin, Xin; Guven, Nuri; Dietis, Nikolas

2016-12-01

Depression is one of the leading causes of disability and a significant health-concern worldwide. Much of our current understanding on the pathogenesis of depression and the pharmacology of antidepressant drugs is based on pre-clinical models. Three of the most popular stress-based rodent models are the forced swimming test, the chronic mild stress paradigm and the learned helplessness model. Despite their recognizable advantages and limitations, they are associated with an immense variability due to the high number of design parameters that define them. Only few studies have reported how minor modifications of these parameters affect the model phenotype. Thus, the existing variability in how these models are used has been a strong barrier for drug development as well as benchmark and evaluation of these pre-clinical models of depression. It also has been the source of confusing variability in the experimental outcomes between research groups using the same models. In this review, we summarize the known variability in the experimental protocols, identify the main and relevant parameters for each model and describe the variable values using characteristic examples. Our view of depression and our efforts to discover novel and effective antidepressants is largely based on our detailed knowledge of these testing paradigms, and requires a sound understanding around the importance of individual parameters to optimize and improve these pre-clinical models. Copyright © 2016 Elsevier B.V. All rights reserved.

Analysis and characterization of graphene-on-substrate devices

NASA Astrophysics Data System (ADS)

Berdebes, Dionisis

The purpose of this MS Thesis is the analysis and characterization of graphene on substrate structures prepared at the Birck Nanotechnology Center-Purdue University/IBM Watson Research Center-N.Y., and characterized under low-field transport conditions. First, a literature survey is conducted, both in theoretical and experimental work on graphene transport phenomena, and the open issues are reported. Next, the theory of low-field transport in graphene is reviewed within a Landauer framework. Experimental results of back-gated graphene-on-substrate devices, prepared by the Appenzeller group, are then presented, followed by an extraction of an energy/temperature dependent backscattering mean free path as the main characterization parameter. A key conclusion is the critical role of contacts in two-probe measurements. In this framework, a non-self-consistent Non Equilibrium Green's Function method is employed for the calculation of the odd and even metal-graphene ballistic interfacial resistance. A good agreement with the relevant experimental work is observed.

Experimental Methods for Studying the Hessdalen-Phenomenon in the Light of the Proposed Theories: A Comparative Overview

NASA Astrophysics Data System (ADS)

Teodorani, M.; Strand, E.

Unexplained plasma-like atmospheric `light balls' are observed at very low altitudes during alternate phases of maximum and minimum in the Hessdalen area, located in central Norway. Several theories are presented in order to explain the observed phenomenon; among these: piezo-electricity from rocks, atmospheric ionization triggered by solar activity and cosmic rays. The presented study is aimed at proposing the use of a dedicated instrumental set-up, research experimental procedures and methods in order to prove or disprove every single theory: in this context several kinds of observational techniques, measurement strategies and physical tests of tactical relevance are discussed in detail. An introduction on any considered theory is presented together with a detailed discussion regarding the subsequent experimental phase. For each specific theory brief descriptions of the observable parameters and of the essential instrumental choices and a detailed discussion of measurement procedures coupled with suitable flow-charts, are presented.

Computational and experimental analysis of DNA shuffling

PubMed Central

Maheshri, Narendra; Schaffer, David V.

2003-01-01

We describe a computational model of DNA shuffling based on the thermodynamics and kinetics of this process. The model independently tracks a representative ensemble of DNA molecules and records their states at every stage of a shuffling reaction. These data can subsequently be analyzed to yield information on any relevant metric, including reassembly efficiency, crossover number, type and distribution, and DNA sequence length distributions. The predictive ability of the model was validated by comparison to three independent sets of experimental data, and analysis of the simulation results led to several unique insights into the DNA shuffling process. We examine a tradeoff between crossover frequency and reassembly efficiency and illustrate the effects of experimental parameters on this relationship. Furthermore, we discuss conditions that promote the formation of useless “junk” DNA sequences or multimeric sequences containing multiple copies of the reassembled product. This model will therefore aid in the design of optimal shuffling reaction conditions. PMID:12626764

Continuous microalgal cultivation in a laboratory-scale photobioreactor under seasonal day-night irradiation: experiments and simulation.

PubMed

Bertucco, Alberto; Beraldi, Mariaelena; Sforza, Eleonora

2014-08-01

In this work, the production of Scenedesmus obliquus in a continuous flat-plate laboratory-scale photobioreactor (PBR) under alternated day-night cycles was tested both experimentally and theoretically. Variation of light intensity according to the four seasons of the year were simulated experimentally by a tunable LED lamp, and effects on microalgal growth and productivity were measured to evaluate the conversion efficiency of light energy into biomass during the different seasons. These results were used to validate a mathematical model for algae growth that can be applied to simulate a large-scale production unit, carried out in a flat-plate PBR of similar geometry. The cellular concentration in the PBR was calculated in both steady-state and transient conditions, and the value of the maintenance kinetic term was correlated to experimental profiles. The relevance of this parameter was finally outlined.

BGFit: management and automated fitting of biological growth curves.

PubMed

Veríssimo, André; Paixão, Laura; Neves, Ana Rute; Vinga, Susana

2013-09-25

Existing tools to model cell growth curves do not offer a flexible integrative approach to manage large datasets and automatically estimate parameters. Due to the increase of experimental time-series from microbiology and oncology, the need for a software that allows researchers to easily organize experimental data and simultaneously extract relevant parameters in an efficient way is crucial. BGFit provides a web-based unified platform, where a rich set of dynamic models can be fitted to experimental time-series data, further allowing to efficiently manage the results in a structured and hierarchical way. The data managing system allows to organize projects, experiments and measurements data and also to define teams with different editing and viewing permission. Several dynamic and algebraic models are already implemented, such as polynomial regression, Gompertz, Baranyi, Logistic and Live Cell Fraction models and the user can add easily new models thus expanding current ones. BGFit allows users to easily manage their data and models in an integrated way, even if they are not familiar with databases or existing computational tools for parameter estimation. BGFit is designed with a flexible architecture that focus on extensibility and leverages free software with existing tools and methods, allowing to compare and evaluate different data modeling techniques. The application is described in the context of bacterial and tumor cells growth data fitting, but it is also applicable to any type of two-dimensional data, e.g. physical chemistry and macroeconomic time series, being fully scalable to high number of projects, data and model complexity.

A new method for calculation of water saturation in shale gas reservoirs using V P -to-V S ratio and porosity

NASA Astrophysics Data System (ADS)

Liu, Kun; Sun, Jianmeng; Zhang, Hongpan; Liu, Haitao; Chen, Xiangyang

2018-02-01

Total water saturation is an important parameter for calculating the free gas content of shale gas reservoirs. Owing to the limitations of the Archie formula and its extended solutions in zones rich in organic or conductive minerals, a new method was proposed to estimate total water saturation according to the relationship between total water saturation, V P -to-V S ratio and total porosity. Firstly, the ranges of the relevant parameters in the viscoelastic BISQ model in shale gas reservoirs were estimated. Then, the effects of relevant parameters on the V P -to-V S ratio were simulated based on the partially saturated viscoelastic BISQ model. These parameters were total water saturation, total porosity, permeability, characteristic squirt-flow length, fluid viscosity and sonic frequency. The simulation results showed that the main factors influencing V P -to-V S ratio were total porosity and total water saturation. When the permeability and the characteristic squirt-flow length changed slightly for a particular shale gas reservoir, their influences could be neglected. Then an empirical equation for total water saturation with respect to total porosity and V P -to-V S ratio was obtained according to the experimental data. Finally, the new method was successfully applied to estimate total water saturation in a sequence formation of shale gas reservoirs. Practical applications have shown good agreement with the results calculated by the Archie model.

Study on the relevance of some of the description methods for plateau-honed surfaces

NASA Astrophysics Data System (ADS)

Yousfi, M.; Mezghani, S.; Demirci, I.; El Mansori, M.

2014-01-01

Much work has been undertaken in recent years into the determination of a complete parametric description of plateau-honed surfaces with the intention of making a link between the process conditions, the surface topography and the required functional performances. Different advanced techniques (plateau/valleys decomposition using the normalized Abbott-Firestone curve or morphological operators, multiscale decomposition using continuous wavelets transform, etc) were proposed and applied in different studies. This paper re-examines the current state of developments and addresses a discussion on the relevance of the different proposed parameters and characterization methods for plateau-honed surfaces by considering the control loop manufacturing-characterization-function. The relevance of appropriate characterization is demonstrated through two experimental studies. They consider the effect of the most plateau honing process variables (the abrasive grit size and abrasive indentation velocity in finish-honing and the plateau-honing stage duration and pressure) on cylinder liner surface textures and hydrodynamic friction of the ring-pack system.

Modeling of Mitochondria Bioenergetics Using a Composable Chemiosmotic Energy Transduction Rate Law: Theory and Experimental Validation

PubMed Central

Chang, Ivan; Heiske, Margit; Letellier, Thierry; Wallace, Douglas; Baldi, Pierre

2011-01-01

Mitochondrial bioenergetic processes are central to the production of cellular energy, and a decrease in the expression or activity of enzyme complexes responsible for these processes can result in energetic deficit that correlates with many metabolic diseases and aging. Unfortunately, existing computational models of mitochondrial bioenergetics either lack relevant kinetic descriptions of the enzyme complexes, or incorporate mechanisms too specific to a particular mitochondrial system and are thus incapable of capturing the heterogeneity associated with these complexes across different systems and system states. Here we introduce a new composable rate equation, the chemiosmotic rate law, that expresses the flux of a prototypical energy transduction complex as a function of: the saturation kinetics of the electron donor and acceptor substrates; the redox transfer potential between the complex and the substrates; and the steady-state thermodynamic force-to-flux relationship of the overall electro-chemical reaction. Modeling of bioenergetics with this rate law has several advantages: (1) it minimizes the use of arbitrary free parameters while featuring biochemically relevant parameters that can be obtained through progress curves of common enzyme kinetics protocols; (2) it is modular and can adapt to various enzyme complex arrangements for both in vivo and in vitro systems via transformation of its rate and equilibrium constants; (3) it provides a clear association between the sensitivity of the parameters of the individual complexes and the sensitivity of the system's steady-state. To validate our approach, we conduct in vitro measurements of ETC complex I, III, and IV activities using rat heart homogenates, and construct an estimation procedure for the parameter values directly from these measurements. In addition, we show the theoretical connections of our approach to the existing models, and compare the predictive accuracy of the rate law with our experimentally fitted parameters to those of existing models. Finally, we present a complete perturbation study of these parameters to reveal how they can significantly and differentially influence global flux and operational thresholds, suggesting that this modeling approach could help enable the comparative analysis of mitochondria from different systems and pathological states. The procedures and results are available in Mathematica notebooks at http://www.igb.uci.edu/tools/sb/mitochondria-modeling.html. PMID:21931590

Modeling of mitochondria bioenergetics using a composable chemiosmotic energy transduction rate law: theory and experimental validation.

PubMed

Chang, Ivan; Heiske, Margit; Letellier, Thierry; Wallace, Douglas; Baldi, Pierre

2011-01-01

Mitochondrial bioenergetic processes are central to the production of cellular energy, and a decrease in the expression or activity of enzyme complexes responsible for these processes can result in energetic deficit that correlates with many metabolic diseases and aging. Unfortunately, existing computational models of mitochondrial bioenergetics either lack relevant kinetic descriptions of the enzyme complexes, or incorporate mechanisms too specific to a particular mitochondrial system and are thus incapable of capturing the heterogeneity associated with these complexes across different systems and system states. Here we introduce a new composable rate equation, the chemiosmotic rate law, that expresses the flux of a prototypical energy transduction complex as a function of: the saturation kinetics of the electron donor and acceptor substrates; the redox transfer potential between the complex and the substrates; and the steady-state thermodynamic force-to-flux relationship of the overall electro-chemical reaction. Modeling of bioenergetics with this rate law has several advantages: (1) it minimizes the use of arbitrary free parameters while featuring biochemically relevant parameters that can be obtained through progress curves of common enzyme kinetics protocols; (2) it is modular and can adapt to various enzyme complex arrangements for both in vivo and in vitro systems via transformation of its rate and equilibrium constants; (3) it provides a clear association between the sensitivity of the parameters of the individual complexes and the sensitivity of the system's steady-state. To validate our approach, we conduct in vitro measurements of ETC complex I, III, and IV activities using rat heart homogenates, and construct an estimation procedure for the parameter values directly from these measurements. In addition, we show the theoretical connections of our approach to the existing models, and compare the predictive accuracy of the rate law with our experimentally fitted parameters to those of existing models. Finally, we present a complete perturbation study of these parameters to reveal how they can significantly and differentially influence global flux and operational thresholds, suggesting that this modeling approach could help enable the comparative analysis of mitochondria from different systems and pathological states. The procedures and results are available in Mathematica notebooks at http://www.igb.uci.edu/tools/sb/mitochondria-modeling.html.

Mathematical models of cytotoxic effects in endpoint tumor cell line assays: critical assessment of the application of a single parametric value as a standard criterion to quantify the dose-response effects and new unexplored proposal formats.

PubMed

Calhelha, Ricardo C; Martínez, Mireia A; Prieto, M A; Ferreira, Isabel C F R

2017-10-23

The development of convenient tools for describing and quantifying the effects of standard and novel therapeutic agents is essential for the research community, to perform more precise evaluations. Although mathematical models and quantification criteria have been exchanged in the last decade between different fields of study, there are relevant methodologies that lack proper mathematical descriptions and standard criteria to quantify their responses. Therefore, part of the relevant information that can be drawn from the experimental results obtained and the quantification of its statistical reliability are lost. Despite its relevance, there is not a standard form for the in vitro endpoint tumor cell lines' assays (TCLA) that enables the evaluation of the cytotoxic dose-response effects of anti-tumor drugs. The analysis of all the specific problems associated with the diverse nature of the available TCLA used is unfeasible. However, since most TCLA share the main objectives and similar operative requirements, we have chosen the sulforhodamine B (SRB) colorimetric assay for cytotoxicity screening of tumor cell lines as an experimental case study. In this work, the common biological and practical non-linear dose-response mathematical models are tested against experimental data and, following several statistical analyses, the model based on the Weibull distribution was confirmed as the convenient approximation to test the cytotoxic effectiveness of anti-tumor compounds. Then, the advantages and disadvantages of all the different parametric criteria derived from the model, which enable the quantification of the dose-response drug-effects, are extensively discussed. Therefore, model and standard criteria for easily performing the comparisons between different compounds are established. The advantages include a simple application, provision of parametric estimations that characterize the response as standard criteria, economization of experimental effort and enabling rigorous comparisons among the effects of different compounds and experimental approaches. In all experimental data fitted, the calculated parameters were always statistically significant, the equations proved to be consistent and the correlation coefficient of determination was, in most of the cases, higher than 0.98.

Electroweak radiative corrections for polarized Moller scattering at the future 11 GeV JLab experiment

DOE PAGES

Aleksejevs, Aleksandrs; Barkanova, Svetlana; Ilyichev, Alexander; ...

2010-11-19

We perform updated and detailed calculations of the complete NLO set of electroweak radiative corrections to parity violating e – e – → e – e – (γ) scattering asymmetries at energies relevant for the ultra-precise Moller experiment coming soon at JLab. Our numerical results are presented for a range of experimental cuts and relative importance of various contributions is analyzed. In addition, we also provide very compact expressions analytically free from non-physical parameters and show them to be valid for fast yet accurate estimations.

Multiplicity of Charged Particles in Pion - Nucleus Interactions in an Emulsion at 200-GeV/c

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

Anzon, Z.V.; Gaitinov, A.Sh.; Eremenko, L.E.

1977-01-01

The experimental data on multiplicities of charged secondaries produced in pion-nucleus interactions in an emulsion at 200 Gev/c and correlations bet6ween them are presented and discussed. Parameters of multiplicity distributions are compared with the relevant ones at lower energies and with data from pA-interactions at 200 Gev/c. The multiplicity of heavily ionizing particles in {Pi}{sup -}A-interactions weakly depend on the incident energy. The KNO scaling is observed being the same for incident protons and pions.

Correlation effects in superconducting quantum dot systems

NASA Astrophysics Data System (ADS)

Pokorný, Vladislav; Žonda, Martin

2018-05-01

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

Implementation and Development of the Incremental Hole Drilling Method for the Measurement of Residual Stress in Thermal Spray Coatings

NASA Astrophysics Data System (ADS)

Valente, T.; Bartuli, C.; Sebastiani, M.; Loreto, A.

2005-12-01

The experimental measurement of residual stresses originating within thick coatings deposited by thermal spray on solid substrates plays a role of fundamental relevance in the preliminary stages of coating design and process parameters optimization. The hole-drilling method is a versatile and widely used technique for the experimental determination of residual stress in the most superficial layers of a solid body. The consolidated procedure, however, can only be implemented for metallic bulk materials or for homogeneous, linear elastic, and isotropic materials. The main objective of the present investigation was to adapt the experimental method to the measurement of stress fields built up in ceramic coatings/metallic bonding layers structures manufactured by plasma spray deposition. A finite element calculation procedure was implemented to identify the calibration coefficients necessary to take into account the elastic modulus discontinuities that characterize the layered structure through its thickness. Experimental adjustments were then proposed to overcome problems related to the low thermal conductivity of the coatings. The number of calculation steps and experimental drilling steps were finally optimized.

Stabilometric parameters are affected by anthropometry and foot placement.

PubMed

Chiari, Lorenzo; Rocchi, Laura; Cappello, Angelo

2002-01-01

To recognize and quantify the influence of biomechanical factors, namely anthropometry and foot placement, on the more common measures of stabilometric performance, including new-generation stochastic parameters. Fifty normal-bodied young adults were selected in order to cover a sufficiently wide range of anthropometric properties. They were allowed to choose their preferred side-by-side foot position and their quiet stance was recorded with eyes open and closed by a force platform. biomechanical factors are known to influence postural stability but their impact on stabilometric parameters has not been extensively explored yet. Principal component analysis was used for feature selection among several biomechanical factors. A collection of 55 stabilometric parameters from the literature was estimated from the center-of-pressure time series. Linear relations between stabilometric parameters and selected biomechanical factors were investigated by robust regression techniques. The feature selection process returned height, weight, maximum foot width, base-of-support area, and foot opening angle as the relevant biomechanical variables. Only eleven out of the 55 stabilometric parameters were completely immune from a linear dependence on these variables. The remaining parameters showed a moderate to high dependence that was strengthened upon eye closure. For these parameters, a normalization procedure was proposed, to remove what can well be considered, in clinical investigations, a spurious source of between-subject variability. Care should be taken when quantifying postural sway through stabilometric parameters. It is suggested as a good practice to include some anthropometric measurements in the experimental protocol, and to standardize or trace foot position. Although the role of anthropometry and foot placement has been investigated in specific studies, there are no studies in the literature that systematically explore the relationship between such BF and stabilometric parameters. This knowledge may contribute to better defining the experimental protocol and improving the functional evaluation of postural sway for clinical purposes, e.g. by removing through normalization the spurious effects of body properties and foot position on postural performance.

Thermodynamics of concentrated electrolyte mixtures and the prediction of mineral solubilities to high temperatures for mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O

NASA Astrophysics Data System (ADS)

Pabalan, Roberto T.; Pitzer, Kenneth S.

1987-09-01

Mineral solubilities in binary and ternary electrolyte mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O are calculated to high temperatures using available thermodynamic data for solids and for aqueous electrolyte solutions. Activity and osmotic coefficients are derived from the ion-interaction model of Pitzer (1973, 1979) and co-workers, the parameters of which are evaluated from experimentally determined solution properties or from solubility data in binary and ternary mixtures. Excellent to good agreement with experimental solubilities for binary and ternary mixtures indicate that the model can be successfully used to predict mineral-solution equilibria to high temperatures. Although there are currently no theoretical forms for the temperature dependencies of the various model parameters, the solubility data in ternary mixtures can be adequately represented by constant values of the mixing term θ ij and values of ψ ijk which are either constant or have a simple temperature dependence. Since no additional parameters are needed to describe the thermodynamic properties of more complex electrolyte mixtures, the calculations can be extended to equilibrium studies relevant to natural systems. Examples of predicted solubilities are given for the quaternary system NaCl-KCl-MgCl 2-H 2O.

SBRML: a markup language for associating systems biology data with models.

PubMed

Dada, Joseph O; Spasić, Irena; Paton, Norman W; Mendes, Pedro

2010-04-01

Research in systems biology is carried out through a combination of experiments and models. Several data standards have been adopted for representing models (Systems Biology Markup Language) and various types of relevant experimental data (such as FuGE and those of the Proteomics Standards Initiative). However, until now, there has been no standard way to associate a model and its entities to the corresponding datasets, or vice versa. Such a standard would provide a means to represent computational simulation results as well as to frame experimental data in the context of a particular model. Target applications include model-driven data analysis, parameter estimation, and sharing and archiving model simulations. We propose the Systems Biology Results Markup Language (SBRML), an XML-based language that associates a model with several datasets. Each dataset is represented as a series of values associated with model variables, and their corresponding parameter values. SBRML provides a flexible way of indexing the results to model parameter values, which supports both spreadsheet-like data and multidimensional data cubes. We present and discuss several examples of SBRML usage in applications such as enzyme kinetics, microarray gene expression and various types of simulation results. The XML Schema file for SBRML is available at http://www.comp-sys-bio.org/SBRML under the Academic Free License (AFL) v3.0.

Predicting the performance uncertainty of a 1-MW pilot-scale carbon capture system after hierarchical laboratory-scale calibration and validation

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

Xu, Zhijie; Lai, Canhai; Marcy, Peter William

2017-05-01

A challenging problem in designing pilot-scale carbon capture systems is to predict, with uncertainty, the adsorber performance and capture efficiency under various operating conditions where no direct experimental data exist. Motivated by this challenge, we previously proposed a hierarchical framework in which relevant parameters of physical models were sequentially calibrated from different laboratory-scale carbon capture unit (C2U) experiments. Specifically, three models of increasing complexity were identified based on the fundamental physical and chemical processes of the sorbent-based carbon capture technology. Results from the corresponding laboratory experiments were used to statistically calibrate the physical model parameters while quantifying some of theirmore » inherent uncertainty. The parameter distributions obtained from laboratory-scale C2U calibration runs are used in this study to facilitate prediction at a larger scale where no corresponding experimental results are available. In this paper, we first describe the multiphase reactive flow model for a sorbent-based 1-MW carbon capture system then analyze results from an ensemble of simulations with the upscaled model. The simulation results are used to quantify uncertainty regarding the design’s predicted efficiency in carbon capture. In particular, we determine the minimum gas flow rate necessary to achieve 90% capture efficiency with 95% confidence.« less

A Robust and Fast Method to Compute Shallow States without Adjustable Parameters: Simulations for a Silicon-Based Qubit

NASA Astrophysics Data System (ADS)

Debernardi, Alberto; Fanciulli, Marco

Within the framework of the envelope function approximation we have computed - without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms - the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley-orbit interaction of a realistically screened Coulomb potential and of the core potential are included exactly, within the numerical accuracy due to the use of a finite basis set, while band-anisotropy effects are taken into account within the effective-mass approximation.

Derivation and calibration of a gas metal arc welding (GMAW) dynamic droplet model

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

Reutzel, E.W.; Einerson, C.J.; Johnson, J.A.

1996-12-31

A rudimentary, existing dynamic model for droplet growth and detachment in gas metal arc welding (GMAW) was improved and calibrated to match experimental data. The model simulates droplets growing at the end of an imaginary spring. Mass is added to the drop as the electrode melts, the droplet grows, and the spring is displaced. Detachment occurs when one of two criteria is met, and the amount of mass that is detached is a function of the droplet velocity at the time of detachment. Improvements to the model include the addition of a second criterion for drop detachment, a more sophisticatedmore » model of the power supply and secondary electric circuit, and the incorporation of a variable electrode resistance. Relevant physical parameters in the model were adjusted during model calibration. The average current, droplet frequency, and parameter-space location of globular-to-streaming mode transition were used as criteria for tuning the model. The average current predicted by the calibrated model matched the experimental average current to within 5% over a wide range of operating conditions.« less

CalFitter: a web server for analysis of protein thermal denaturation data.

PubMed

Mazurenko, Stanislav; Stourac, Jan; Kunka, Antonin; Nedeljkovic, Sava; Bednar, David; Prokop, Zbynek; Damborsky, Jiri

2018-05-14

Despite significant advances in the understanding of protein structure-function relationships, revealing protein folding pathways still poses a challenge due to a limited number of relevant experimental tools. Widely-used experimental techniques, such as calorimetry or spectroscopy, critically depend on a proper data analysis. Currently, there are only separate data analysis tools available for each type of experiment with a limited model selection. To address this problem, we have developed the CalFitter web server to be a unified platform for comprehensive data fitting and analysis of protein thermal denaturation data. The server allows simultaneous global data fitting using any combination of input data types and offers 12 protein unfolding pathway models for selection, including irreversible transitions often missing from other tools. The data fitting produces optimal parameter values, their confidence intervals, and statistical information to define unfolding pathways. The server provides an interactive and easy-to-use interface that allows users to directly analyse input datasets and simulate modelled output based on the model parameters. CalFitter web server is available free at https://loschmidt.chemi.muni.cz/calfitter/.

Optimization of plasma amplifiers

DOE PAGES

Sadler, James D.; Trines, Raoul M. G. M.; Tabak, Max; ...

2017-05-24

Here, plasma amplifiers offer a route to side-step limitations on chirped pulse amplification and generate laser pulses at the power frontier. They compress long pulses by transferring energy to a shorter pulse via the Raman or Brillouin instabilities. We present an extensive kinetic numerical study of the three-dimensional parameter space for the Raman case. Further particle-in-cell simulations find the optimal seed pulse parameters for experimentally relevant constraints. The high-efficiency self-similar behavior is observed only for seeds shorter than the linear Raman growth time. A test case similar to an upcoming experiment at the Laboratory for Laser Energetics is found tomore » maintain good transverse coherence and high-energy efficiency. Effective compression of a 10kJ, nanosecond-long driver pulse is also demonstrated in a 15-cm-long amplifier.« less

Hydrogen and deuterium transport and inventory parameters through W and W-alloys for fusion reactor applications

NASA Astrophysics Data System (ADS)

Benamati, G.; Serra, E.; Wu, C. H.

2000-12-01

The aim of this work is to measure the hydrogen/deuterium transport and inventory parameters in relevant structural and/or armour materials for the International Thermonuclear Experimental Reactor (ITER) divertor such as W and W-alloys. The W-alloys: W, W + 1% La 2O 3 and W + 5% Re have been investigated. The materials were supplied from the Metallwerk Plansee GmbH (Austria). Measurements were conducted using a time-dependent permeation method over the temperature range 673-873 K with hydrogen and deuterium pressures in the range 10-100 kPa (100-1000 mbar). The samples were also characterized using optical microscopy, SEM and energy dispersive spectroscopy (EDS) in order to investigate the composition, microstructure and morphology of the surfaces and cross-sections through the samples.

Optimization of plasma amplifiers

NASA Astrophysics Data System (ADS)

Sadler, James D.; Trines, Raoul M. Â. G. Â. M.; Tabak, Max; Haberberger, Dan; Froula, Dustin H.; Davies, Andrew S.; Bucht, Sara; Silva, Luís O.; Alves, E. Paulo; Fiúza, Frederico; Ceurvorst, Luke; Ratan, Naren; Kasim, Muhammad F.; Bingham, Robert; Norreys, Peter A.

2017-05-01

Plasma amplifiers offer a route to side-step limitations on chirped pulse amplification and generate laser pulses at the power frontier. They compress long pulses by transferring energy to a shorter pulse via the Raman or Brillouin instabilities. We present an extensive kinetic numerical study of the three-dimensional parameter space for the Raman case. Further particle-in-cell simulations find the optimal seed pulse parameters for experimentally relevant constraints. The high-efficiency self-similar behavior is observed only for seeds shorter than the linear Raman growth time. A test case similar to an upcoming experiment at the Laboratory for Laser Energetics is found to maintain good transverse coherence and high-energy efficiency. Effective compression of a 10 kJ , nanosecond-long driver pulse is also demonstrated in a 15-cm-long amplifier.

Production of photoionized plasmas in the laboratory with x-ray line radiation

NASA Astrophysics Data System (ADS)

White, S.; Irwin, R.; Warwick, J. R.; Gribakin, G. F.; Sarri, G.; Keenan, F. P.; Riley, D.; Rose, S. J.; Hill, E. G.; Ferland, G. J.; Han, B.; Wang, F.; Zhao, G.

2018-06-01

In this paper we report the experimental implementation of a theoretically proposed technique for creating a photoionized plasma in the laboratory using x-ray line radiation. Using a Sn laser plasma to irradiate an Ar gas target, the photoionization parameter, ξ =4 π F /Ne , reached values of order 50 ergcm s-1 , where F is the radiation flux in ergc m-2s-1 . The significance of this is that this technique allows us to mimic effective spectral radiation temperatures in excess of 1 keV. We show that our plasma starts to be collisionally dominated before the peak of the x-ray drive. However, the technique is extendable to higher-energy laser systems to create plasmas with parameters relevant to benchmarking codes used to model astrophysical objects.

On the possibility of real time air quality and toxicology assessment using multi-wavelength photoacoustic spectroscopy

NASA Astrophysics Data System (ADS)

Ajtai, Tibor; Pinter, Mate; Utry, Noemi; Kiss-Albert, Gergely; Palagyi, Andrea; Manczinger, Laszlo; Vagvölgyi, Csaba; Szabo, Gabor; Bozoki, Zoltan

2016-04-01

In this study we present results of field measurement campaigns focusing on the in-situ characterization of absorption spectra and the health relevance of light absorbing carbonaceous (LAC) in the ambient. The absorption spectra is measured @ 266, 355, 532 and 1064 nm by our state-of-the-art four-wavelength photoacoustic instrument, while for health relevance the eco- cito and genotoxicity parameters were measured using standardized methodologies. We experimentally demonstrated a correlation between the toxicities and the measured absorption spectra quantified by its wavelength dependency. Based on this correlation, we present novel possibilities on real-time air quality monitoring. LAC is extensively studied not only because of its considerable climate effects but as a serious air pollutant too. Gradually increasing number of studies demonstrated experimentally that the health effect of LAC is more serious than it is expected based on its share in total atmospheric aerosol mass. Furthermore during many local pollution events LAC not only has dominancy but it is close to exclusivity. Altogether due to its climate and health effects many studies and proposed regulations focus on the physical, chemical and toxicological properties of LAC as well as on its source apportionment. Despites of its importance, there is not yet a widely accepted standard methodology for the real-time and selective identification of LAC. There are many different reasons of that: starting from its complex inherent physicochemical features including many unknown constituents, via masking effect of ambient on the inherent physicochemical properties taking place even in case of a short residence, ending with the lack of reliable instrumentation for its health or source relevant parameters. Therefore, the methodology and instrument development for selective and reliable identification of LAC is timely and important issues in climate and air quality researches. Recently, many studies demonstrated correlation between the chemical compositions and the absorption features of LAC which open up novel possibilities in real time source apportionment and in air quality monitoring.

Simulation and performance analysis of a novel high-accuracy sheathless microfluidic impedance cytometer with coplanar electrode layout.

PubMed

Caselli, Federica; Bisegna, Paolo

2017-10-01

The performance of a novel microfluidic impedance cytometer (MIC) with coplanar configuration is investigated in silico. The main feature of the device is the ability to provide accurate particle-sizing despite the well-known measurement sensitivity to particle trajectory. The working principle of the device is presented and validated by means of an original virtual laboratory providing close-to-experimental synthetic data streams. It is shown that a metric correlating with particle trajectory can be extracted from the signal traces and used to compensate the trajectory-induced error in the estimated particle size, thus reaching high-accuracy. An analysis of relevant parameters of the experimental setup is also presented. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Constitutive equations for the cyclic behaviour of short carbon fibre-reinforced thermoplastics and identification on a uniaxial database

NASA Astrophysics Data System (ADS)

Leveuf, Louis; Navrátil, Libor; Le Saux, Vincent; Marco, Yann; Olhagaray, Jérôme; Leclercq, Sylvain

2018-01-01

A constitutive model for the cyclic behaviour of short carbon fibre-reinforced thermoplastics for aeronautical applications is proposed. First, an extended experimental database is generated in order to highlight the specificities of the studied material. This database is composed of complex tests and is used to design a relevant constitutive model able to capture the cyclic behaviour of the material. A general 3D formulation of the model is then proposed, and an identification strategy is defined to identify its parameters. Finally, a validation of the identification is performed by challenging the prediction of the model to the tests that were not used for the identification. An excellent agreement between the numerical results and the experimental data is observed revealing the capabilities of the model.

Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase.

PubMed

De Beer, Stephanie B A; Glättli, Alice; Hutzler, Johannes; Vermeulen, Nico P E; Oostenbrink, Chris

2011-07-30

4-Hydroxyphenylpyruvate dioxygenase is a relevant target in both pharmaceutical and agricultural research. We report on molecular dynamics simulations and free energy calculations on this enzyme, in complex with 12 inhibitors for which experimental affinities were determined. We applied the thermodynamic integration approach and the more efficient one-step perturbation. Even though simulations seem well converged and both methods show excellent agreement between them, the correlation with the experimental values remains poor. We investigate the effect of slight modifications on the charge distribution of these highly conjugated systems and find that accurate models can be obtained when using improved force field parameters. This study gives insight into the applicability of free energy methods and current limitations in force field parameterization. Copyright © 2011 Wiley Periodicals, Inc.

Stability and instability for low refractive-index-contrast particle trapping in a dual-beam optical trap.

PubMed

Huff, Alison; Melton, Charles N; Hirst, Linda S; Sharping, Jay E

2015-10-01

A dual-beam optical trap is used to trap and manipulate dielectric particles. When the refractive index of these particles is comparable to that of the surrounding medium, equilibrium trapping locations within the system shift from stable to unstable depending on fiber separation and particle size. This is due to to the relationship between gradient and scattering forces. We experimentally and computationally study the transitions between stable and unstable trapping of poly(methyl methacrylate) beads for a range of parameters relevant to experimental setups involving giant unilamellar vesicles. We present stability maps for various fiber separations and particle sizes, and find that careful attention to particle size and configuration is necessary to obtain reproducible quantitative results for soft matter stretching experiments.

Stability and instability for low refractive-index-contrast particle trapping in a dual-beam optical trap

PubMed Central

Huff, Alison; Melton, Charles N.; Hirst, Linda S.; Sharping, Jay E.

2015-01-01

A dual-beam optical trap is used to trap and manipulate dielectric particles. When the refractive index of these particles is comparable to that of the surrounding medium, equilibrium trapping locations within the system shift from stable to unstable depending on fiber separation and particle size. This is due to to the relationship between gradient and scattering forces. We experimentally and computationally study the transitions between stable and unstable trapping of poly(methyl methacrylate) beads for a range of parameters relevant to experimental setups involving giant unilamellar vesicles. We present stability maps for various fiber separations and particle sizes, and find that careful attention to particle size and configuration is necessary to obtain reproducible quantitative results for soft matter stretching experiments. PMID:26504632

Rational design of gold nanoparticle toxicology assays: a question of exposure scenario, dose and experimental setup.

PubMed

Taylor, Ulrike; Rehbock, Christoph; Streich, Carmen; Rath, Detlef; Barcikowski, Stephan

2014-09-01

Many studies have evaluated the toxicity of gold nanoparticles, although reliable predictions based on these results are rare. In order to overcome this problem, this article highlights strategies to improve comparability and standardization of nanotoxicological studies. To this end, it is proposed that we should adapt the nanomaterial to the addressed exposure scenario, using ligand-free nanoparticle references in order to differentiate ligand effects from size effects. Furthermore, surface-weighted particle dosing referenced to the biologically relevant parameter (e.g., cell number or organ mass) is proposed as the gold standard. In addition, it is recommended that we should shift the focus of toxicological experiments from 'live-dead' assays to the assessment of cell function, as this strategy allows observation of bioresponses at lower doses that are more relevant for in vivo scenarios.

Surgeon Reported Outcome Measure for Spine Trauma: An International Expert Survey Identifying Parameters Relevant for the Outcome of Subaxial Cervical Spine Injuries.

PubMed

Sadiqi, Said; Verlaan, Jorrit-Jan; Lehr, A Mechteld; Dvorak, Marcel F; Kandziora, Frank; Rajasekaran, S; Schnake, Klaus J; Vaccaro, Alexander R; Oner, F Cumhur

2016-12-15

International web-based survey. To identify clinical and radiological parameters that spine surgeons consider most relevant when evaluating clinical and functional outcomes of subaxial cervical spine trauma patients. Although an outcome instrument that reflects the patients' perspective is imperative, there is also a need for a surgeon reported outcome measure to reflect the clinicians' perspective adequately. A cross-sectional online survey was conducted among a selected number of spine surgeons from all five AOSpine International world regions. They were asked to indicate the relevance of a compilation of 21 parameters, both for the short term (3 mo-2 yr) and long term (≥2 yr), on a five-point scale. The responses were analyzed using descriptive statistics, frequency analysis, and Kruskal-Wallis test. Of the 279 AOSpine International and International Spinal Cord Society members who received the survey, 108 (38.7%) participated in the study. Ten parameters were identified as relevant both for short term and long term by at least 70% of the participants. Neurological status, implant failure within 3 months, and patient satisfaction were most relevant. Bony fusion was the only parameter for the long term, whereas five parameters were identified for the short term. The remaining six parameters were not deemed relevant. Minor differences were observed when analyzing the responses according to each world region, or spine surgeons' degree of experience. The perspective of an international sample of highly experienced spine surgeons was explored on the most relevant parameters to evaluate and predict outcomes of subaxial cervical spine trauma patients. These results form the basis for the development of a disease-specific surgeon reported outcome measure, which will be a helpful tool in research and clinical practice. 4.

Combined Heat Transfer in High-Porosity High-Temperature Fibrous Insulations: Theory and Experimental Validation

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Cunnington, George R.; Miller, Steve D.; Knutson, Jeffry R.

2010-01-01

Combined radiation and conduction heat transfer through various high-temperature, high-porosity, unbonded (loose) fibrous insulations was modeled based on first principles. The diffusion approximation was used for modeling the radiation component of heat transfer in the optically thick insulations. The relevant parameters needed for the heat transfer model were derived from experimental data. Semi-empirical formulations were used to model the solid conduction contribution of heat transfer in fibrous insulations with the relevant parameters inferred from thermal conductivity measurements at cryogenic temperatures in a vacuum. The specific extinction coefficient for radiation heat transfer was obtained from high-temperature steady-state thermal measurements with large temperature gradients maintained across the sample thickness in a vacuum. Standard gas conduction modeling was used in the heat transfer formulation. This heat transfer modeling methodology was applied to silica, two types of alumina, and a zirconia-based fibrous insulation, and to a variation of opacified fibrous insulation (OFI). OFI is a class of insulations manufactured by embedding efficient ceramic opacifiers in various unbonded fibrous insulations to significantly attenuate the radiation component of heat transfer. The heat transfer modeling methodology was validated by comparison with more rigorous analytical solutions and with standard thermal conductivity measurements. The validated heat transfer model is applicable to various densities of these high-porosity insulations as long as the fiber properties are the same (index of refraction, size distribution, orientation, and length). Furthermore, the heat transfer data for these insulations can be obtained at any static pressure in any working gas environment without the need to perform tests in various gases at various pressures.

Decoding 2D-PAGE complex maps: relevance to proteomics.

PubMed

Pietrogrande, Maria Chiara; Marchetti, Nicola; Dondi, Francesco; Righetti, Pier Giorgio

2006-03-20

This review describes two mathematical approaches useful for decoding the complex signal of 2D-PAGE maps of protein mixtures. These methods are helpful for interpreting the large amount of data of each 2D-PAGE map by extracting all the analytical information hidden therein by spot overlapping. Here the basic theory and application to 2D-PAGE maps are reviewed: the means for extracting information from the experimental data and their relevance to proteomics are discussed. One method is based on the quantitative theory of statistical model of peak overlapping (SMO) using the spot experimental data (intensity and spatial coordinates). The second method is based on the study of the 2D-autocovariance function (2D-ACVF) computed on the experimental digitised map. They are two independent methods that are able to extract equal and complementary information from the 2D-PAGE map. Both methods permit to obtain fundamental information on the sample complexity and the separation performance and to single out ordered patterns present in spot positions: the availability of two independent procedures to compute the same separation parameters is a powerful tool to estimate the reliability of the obtained results. The SMO procedure is an unique tool to quantitatively estimate the degree of spot overlapping present in the map, while the 2D-ACVF method is particularly powerful in simply singling out the presence of order in the spot position from the complexity of the whole 2D map, i.e., spot trains. The procedures were validated by extensive numerical computation on computer-generated maps describing experimental 2D-PAGE gels of protein mixtures. Their applicability to real samples was tested on reference maps obtained from literature sources. The review describes the most relevant information for proteomics: sample complexity, separation performance, overlapping extent, identification of spot trains related to post-translational modifications (PTMs).

Essential Annotation Schema for Ecology (EASE)-A framework supporting the efficient data annotation and faceted navigation in ecology.

PubMed

Pfaff, Claas-Thido; Eichenberg, David; Liebergesell, Mario; König-Ries, Birgitta; Wirth, Christian

2017-01-01

Ecology has become a data intensive science over the last decades which often relies on the reuse of data in cross-experimental analyses. However, finding data which qualifies for the reuse in a specific context can be challenging. It requires good quality metadata and annotations as well as efficient search strategies. To date, full text search (often on the metadata only) is the most widely used search strategy although it is known to be inaccurate. Faceted navigation is providing a filter mechanism which is based on fine granular metadata, categorizing search objects along numeric and categorical parameters relevant for their discovery. Selecting from these parameters during a full text search creates a system of filters which allows to refine and improve the results towards more relevance. We developed a framework for the efficient annotation and faceted navigation in ecology. It consists of an XML schema for storing the annotation of search objects and is accompanied by a vocabulary focused on ecology to support the annotation process. The framework consolidates ideas which originate from widely accepted metadata standards, textbooks, scientific literature, and vocabularies as well as from expert knowledge contributed by researchers from ecology and adjacent disciplines.

Searching for the origins of musicality across species.

PubMed

Hoeschele, Marisa; Merchant, Hugo; Kikuchi, Yukiko; Hattori, Yuko; ten Cate, Carel

2015-03-19

In the introduction to this theme issue, Honing et al. suggest that the origins of musicality--the capacity that makes it possible for us to perceive, appreciate and produce music--can be pursued productively by searching for components of musicality in other species. Recent studies have highlighted that the behavioural relevance of stimuli to animals and the relation of experimental procedures to their natural behaviour can have a large impact on the type of results that can be obtained for a given species. Through reviewing laboratory findings on animal auditory perception and behaviour, as well as relevant findings on natural behaviour, we provide evidence that both traditional laboratory studies and studies relating to natural behaviour are needed to answer the problem of musicality. Traditional laboratory studies use synthetic stimuli that provide more control than more naturalistic studies, and are in many ways suitable to test the perceptual abilities of animals. However, naturalistic studies are essential to inform us as to what might constitute relevant stimuli and parameters to test with laboratory studies, or why we may or may not expect certain stimulus manipulations to be relevant. These two approaches are both vital in the comparative study of musicality.

Searching for the origins of musicality across species

PubMed Central

Hoeschele, Marisa; Merchant, Hugo; Kikuchi, Yukiko; Hattori, Yuko; ten Cate, Carel

2015-01-01

In the introduction to this theme issue, Honing et al. suggest that the origins of musicality—the capacity that makes it possible for us to perceive, appreciate and produce music—can be pursued productively by searching for components of musicality in other species. Recent studies have highlighted that the behavioural relevance of stimuli to animals and the relation of experimental procedures to their natural behaviour can have a large impact on the type of results that can be obtained for a given species. Through reviewing laboratory findings on animal auditory perception and behaviour, as well as relevant findings on natural behaviour, we provide evidence that both traditional laboratory studies and studies relating to natural behaviour are needed to answer the problem of musicality. Traditional laboratory studies use synthetic stimuli that provide more control than more naturalistic studies, and are in many ways suitable to test the perceptual abilities of animals. However, naturalistic studies are essential to inform us as to what might constitute relevant stimuli and parameters to test with laboratory studies, or why we may or may not expect certain stimulus manipulations to be relevant. These two approaches are both vital in the comparative study of musicality. PMID:25646517

Direct Laser Writing of Single-Material Sheets with Programmable Self-Rolling Capability

NASA Astrophysics Data System (ADS)

Bauhofer, Anton; KröDel, Sebastian; Bilal, Osama; Daraio, Chiara; Constantinescu, Andrei

Direct laser writing, a sub-class of two-photon polymerization, facilitates 3D-printing of single-material microstructures with inherent residual stresses. Here we show that controlled distribution of these stresses allows for fast and cost-effective fabrication of structures with programmable self-rolling capability. We investigate 2D sheets that evolve into versatile 3D structures. Precise control over the shape morphing potential is acquired through variations in geometry and writing parameters. Effects of capillary action and gravity were shown to be relevant for very thin sheets (thickness <1.5um) and have been analytically and experimentally quantified. In contrast to that, the deformations of sheets with larger thickness (>1.5um) are dominated by residual stresses and adhesion forces. The presented structures create local tensions up to 180MPa, causing rolling curvatures of 25E3m-1. A comprehensive analytical model that captures the relevant influence factors was developed based on laminate plate theory. The predicted curvature and directionality correspond well with the experimentally obtained data. Potential applications are found in drug encapsulation and particle traps for emulsions with differing surface energies. This work was supported by the Swiss National Science Foundation.

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

NASA Astrophysics Data System (ADS)

McCune, Matthew; Kosztin, Ioan

2013-03-01

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

Psychiatric disorders as vulnerability factors for nicotine addiction: what have we learned from animal models?

PubMed

Le Foll, Bernard; Ng, Enoch; Di Ciano, Patricia; Trigo, José M

2015-01-01

Epidemiological studies indicate a high prevalence of tobacco smoking in subjects with psychiatric disorders. Notably, there is a high prevalence of smoking among those with dependence to other substances, schizophrenia, mood, or anxiety disorders. It has been difficult to understand how these phenomena interact with clinical populations as it is unclear what preceded what in most of the studies. These comorbidities may be best understood by using experimental approaches in well-controlled conditions. Notably, animal models represent advantageous approaches as the parameters under study can be controlled perfectly. This review will focus on evidence collected so far exploring how behavioral effects of nicotine are modified in animal models of psychiatric conditions. Notably, we will focus on behavioral responses induced by nicotine that are relevant for its addictive potential. Despite the clinical relevance and frequency of the comorbidity between psychiatric issues and tobacco smoking, very few studies have been done to explore this issue in animals. The available data suggest that the behavioral and reinforcing effects of nicotine are enhanced in animal models of these comorbidities, although much more experimental work would be required to provide certainty in this domain.

Numerical and experimental study of dissociation in an air-water single-bubble sonoluminescence system.

PubMed

Puente, Gabriela F; Urteaga, Raúl; Bonetto, Fabián J

2005-10-01

We performed a comprehensive numerical and experimental analysis of dissociation effects in an air bubble in water acoustically levitated in a spherical resonator. Our numerical approach is based on suitable models for the different effects considered. We compared model predictions with experimental results obtained in our laboratory in the whole phase parameter space, for acoustic pressures from the bubble dissolution limit up to bubble extinction. The effects were taken into account simultaneously to consider the transition from nonsonoluminescence to sonoluminescence bubbles. The model includes (1) inside the bubble, transient and spatially nonuniform heat transfer using a collocation points method, dissociation of O2 and N2, and mass diffusion of vapor in the noncondensable gases; (2) at the bubble interface, nonequilibrium evaporation and condensation of water and a temperature jump due to the accommodation coefficient; (3) in the liquid, transient and spatially nonuniform heat transfer using a collocation points method, and mass diffusion of the gas in the liquid. The model is completed with a Rayleigh-Plesset equation with liquid compressible terms and vapor mass transfer. We computed the boundary for the shape instability based on the temporal evolution of the computed radius. The model is valid for an arbitrary number of dissociable gases dissolved in the liquid. We also obtained absolute measurements for R(t) using two photodetectors and Mie scattering calculations. The robust technique used allows the estimation of experimental results of absolute R0 and P(a). The technique is based on identifying the bubble dissolution limit coincident with the parametric instability in (P(a),R0) parameter space. We take advantage of the fact that this point can be determined experimentally with high precision and replicability. We computed the equilibrium concentration of the different gaseous species and water vapor during collapse as a function of P(a) and R0. The model obtains from first principles the result that in sonoluminescence the bubble is practically 100% argon for air dissolved in water. Therefore, the dissociation reactions in air bubbles must be taken into account for quantitative computations of maximum temperatures. The agreement found between the numerical and experimental data is very good in the whole parameter space explored. We do not fit any parameter in the model. We believe that we capture all the relevant physics with the model.

Study of edge turbulence in dimensionally similar laboratory plasmas

NASA Astrophysics Data System (ADS)

Stroth, Ulrich

2003-10-01

In recent years, the numerical simulation of turbulence has made considerable progress. Predictions are made for large plasma volumes taking into account realistic magnetic geometries. Because of diagnostic limitations, in fusion plasmas the means of experimental testing of the models are rather limited. Toroidal low-temperature plasmas offer the possibility for detailed comparisons between experiment and simulation. Due to the reduced plasma parameters, the relevant quantities can be measured in the entire plasma. At the same time, the relevant non-dimensional parameters can be comparable to those in the edge of fusion plasmas. This presentation reports on results from the torsatron TJ-K [1,2] operated with a low-temperature plasma. The data are compared with simulations using the drift-Alfven-wave code DALF3 [3]. Langmuir probe arrays with 64 tips are used to measure the spatial structure of the turbulence. The same analyses techniques are applied to experimental and numerical data. The measured properties of spectra and probability density functions are reproduced by the code. Although the plasma in experiment and simulation does not exhibit critical pressure gradients, the radial transport fluctuations are strongly intermittent in both cases. Using Hydrogen, Helium and Argon as working gases, the scale parameter ρs could be varied by more than a factor of ten. As predicted by theory, the size of the turbulent eddies increases with ρ_s. The measured cross-phase between density and potential fluctuations are small, indicating the importance of the drift-wave dynamics for the turbulence in toroidal plasmas. The wave number spectra decay with an exponent of -3 as one would expect for the enstrophy cascade in 2D turbulence. [1] N. Krause et al., Rev. Sci. Instr. 73, 3474 (2002) [2] C. Lechte et al., New J. of Physics 4, 34 (2002) [3] B. Scott, Plasma Phys. Contr. Fusion 39, 1635 (1997)

Construction of robust dynamic genome-scale metabolic model structures of Saccharomyces cerevisiae through iterative re-parameterization.

PubMed

Sánchez, Benjamín J; Pérez-Correa, José R; Agosin, Eduardo

2014-09-01

Dynamic flux balance analysis (dFBA) has been widely employed in metabolic engineering to predict the effect of genetic modifications and environmental conditions in the cell׳s metabolism during dynamic cultures. However, the importance of the model parameters used in these methodologies has not been properly addressed. Here, we present a novel and simple procedure to identify dFBA parameters that are relevant for model calibration. The procedure uses metaheuristic optimization and pre/post-regression diagnostics, fixing iteratively the model parameters that do not have a significant role. We evaluated this protocol in a Saccharomyces cerevisiae dFBA framework calibrated for aerobic fed-batch and anaerobic batch cultivations. The model structures achieved have only significant, sensitive and uncorrelated parameters and are able to calibrate different experimental data. We show that consumption, suboptimal growth and production rates are more useful for calibrating dynamic S. cerevisiae metabolic models than Boolean gene expression rules, biomass requirements and ATP maintenance. Copyright © 2014 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

Application of all relevant feature selection for failure analysis of parameter-induced simulation crashes in climate models

NASA Astrophysics Data System (ADS)

Paja, W.; Wrzesień, M.; Niemiec, R.; Rudnicki, W. R.

2015-07-01

The climate models are extremely complex pieces of software. They reflect best knowledge on physical components of the climate, nevertheless, they contain several parameters, which are too weakly constrained by observations, and can potentially lead to a crash of simulation. Recently a study by Lucas et al. (2013) has shown that machine learning methods can be used for predicting which combinations of parameters can lead to crash of simulation, and hence which processes described by these parameters need refined analyses. In the current study we reanalyse the dataset used in this research using different methodology. We confirm the main conclusion of the original study concerning suitability of machine learning for prediction of crashes. We show, that only three of the eight parameters indicated in the original study as relevant for prediction of the crash are indeed strongly relevant, three other are relevant but redundant, and two are not relevant at all. We also show that the variance due to split of data between training and validation sets has large influence both on accuracy of predictions and relative importance of variables, hence only cross-validated approach can deliver robust prediction of performance and relevance of variables.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, J. A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1997-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyses required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such'as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAxwell's equations by the Finite Integration Algorithm (MAFIA) is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

[Evaluation of inverse gas chromatography (IGC) methods to measure astragaloside solubility parameter from Buyang Huanwu decoction].

PubMed

Tang, Yu; Hu, Chao; Liao, Qiong; Liu, Wen-long; Yang, Yan-tao; He, Hong; He, Fu-yuan

2015-01-01

The solubility parameter determination of astrageloside from Buyang Huanwu decoction with inverse gas chromatography (IGC) method evaluation was investigated in this paper. Di-n-octyl phthalate Kwai alternative sample was used to carry out methodological study. The accuracy of the measured correlation coefficient was 0.992 1. Experimental precision measured by IGC experiments showed that the results were accurate and reliable. The sample was uniformly coated on the surface of an inert carrier and N2 gas was carrier gas, a variety of polar solvents such as isopropanol, toluene, acetone, chloroform, cyclohexane as probes. TCD detector temperature was 150 degrees C, gas room temperature was 120 degrees C. Similar headspace method was used whichever over 1 μL gas into the GC measurement, Retention time t(R), t(0) and all the parameters of air and probes molecules within the column were tested. Astragaloside solubility parameter was (21.02 ± 2.4) [J x cm(-3)] ½, literature value was 19.24 [J x cm(-3)] ½, and relevant coefficient was 0.984 5. IGC method is effective and accurate to measure ingredients solubility parameter.

Observing Quantum Monodromy: AN Energy-Momentum Map Built from Experimentally-Determined Level Energies Obtained from the νb{7} Far-Infrared Band System of Ncncs

NASA Astrophysics Data System (ADS)

Tokaryk, Dennis W.; Ross, Stephen Cary; Winnewisser, Brenda P.; Winnewisser, Manfred; De Lucia, Frank C.; Billinghurst, Brant E.

2016-06-01

The concept of Quantum Monodromy (QM) provides a fresh insight into the structure of rovibrational levels in those flexible molecules for which a bending mode can carry the molecule through the linear configuration. To confirm the existence of QM in a molecule required the fruits of several strands of development: the formulation of the abstract mathematical concept of monodromy, including the exploration of its relevance to systems described by classical mechanics and its manifestation in quantum molecular applications; the development of the required spectroscopic technology and computer-aided assignment; and the development of a theoretical model to apply in fitting to the observed data. We present a timeline for each of these strands, converging in our initial confirmation of QM in NCNCS from pure rotational data alone. In that work a Generalised SemiRigid Bender (GSRB) Hamiltonian was fitted to the experimental rotational structure. Rovibrational energies calculated from the fitted GSRB parameters allowed us to construct an ``Energy-Momentum" map and confirm the presence of QM in NCNCS. In further experimental work at the Canadian Light Source Synchrotron we have identified a network of transitions directly connecting the relevant energy levels and thereby have produced a refined Energy Momentum map for NCNCS from experimental measurements alone. This map extends from the ground vibrational level to well above the potential energy barrier, beautifully illustrating the characteristic signature of QM in a system uncomplicated by interaction with other vibrational modes. B. P. Winnewisser et al., Phys. Rev. Lett. 95, 243002 (2005)

Quantum versus classical dynamics in the optical centrifuge

NASA Astrophysics Data System (ADS)

Armon, Tsafrir; Friedland, Lazar

2017-09-01

The interplay between classical and quantum-mechanical evolution in the optical centrifuge (OC) is discussed. The analysis is based on the quantum-mechanical formalism starting from either the ground state or a thermal ensemble. Two resonant mechanisms are identified, i.e., the classical autoresonance and the quantum-mechanical ladder climbing, yielding different dynamics and rotational excitation efficiencies. The rotating-wave approximation is used to analyze the two resonant regimes in the associated dimensionless two-parameter space and calculate the OC excitation efficiency. The results show good agreement between numerical simulations and theory and are relevant to existing experimental setups.

Isolated heart models: cardiovascular system studies and technological advances.

PubMed

Olejnickova, Veronika; Novakova, Marie; Provaznik, Ivo

2015-07-01

Isolated heart model is a relevant tool for cardiovascular system studies. It represents a highly reproducible model for studying broad spectrum of biochemical, physiological, morphological, and pharmaceutical parameters, including analysis of intrinsic heart mechanics, metabolism, and coronary vascular response. Results obtained in this model are under no influence of other organ systems, plasma concentration of hormones or ions and influence of autonomic nervous system. The review describes various isolated heart models, the modes of heart perfusion, and advantages and limitations of various experimental setups. It reports the improvements of perfusion setup according to Langendorff introduced by the authors.

Topological defects in two-dimensional liquid crystals confined by a box

NASA Astrophysics Data System (ADS)

Yao, Xiaomei; Zhang, Hui; Chen, Jeff Z. Y.

2018-05-01

When a spatially uniform system that displays a liquid-crystal ordering on a two-dimensional surface is confined inside a rectangular box, the liquid crystal direction field develops inhomogeneous textures accompanied by topological defects because of the geometric frustrations. We show that the rich variety of nematic textures and defect patterns found in recent experimental and theoretical studies can be classified by the solutions of the rather fundamental, extended Onsager model. This is critically examined based on the determined free energies of different defect states, as functions of a few relevant, dimensionless geometric parameters.

Symmetrical Josephson vortex interferometer as an advanced ballistic single-shot detector

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

Soloviev, I. I., E-mail: isol@phys.msu.ru; Lukin Scientific Research Institute of Physical Problems, 124460 Zelenograd, Moscow; Laboratory of Cryogenic Nanoelectronics, Nizhny Novgorod State Technical University n.a. R.E. Alekseev, 603950 Nizhny Novgorod

2014-11-17

We consider a ballistic detector formed in an interferometer manner which operational principle relies on Josephson vortex scattering at a measurement potential. We propose an approach to symmetrize the detector scheme and explore arising advantages in the signal-to-noise ratio and in the back-action on a measured object by means of recently presented numerical and analytical methods for modeling of a soliton scattering dynamics in the presence of thermal fluctuations. The obtained characteristics for experimentally relevant parameters reveal practical applicability of the considered schemes including possibility of coupling with standard digital rapid single flux quantum circuits.

Liquid-phase microextraction combined with graphite furnace atomic absorption spectrometry: A review.

PubMed

de la Calle, Inmaculada; Pena-Pereira, Francisco; Lavilla, Isela; Bendicho, Carlos

2016-09-14

An overview of the combination of liquid-phase microextraction (LPME) techniques with graphite furnace atomic absorption spectrometry (GFAAS) is reported herein. The high sensitivity of GFAAS is significantly enhanced by its association with a variety of miniaturized solvent extraction approaches. LPME-GFAAS thus represents a powerful combination for determination of metals, metalloids and organometallic compounds at (ultra)trace level. Different LPME modes used with GFAAS are briefly described, and the experimental parameters that show an impact in those microextraction processes are discussed. Special attention is paid to those parameters affecting GFAAS analysis. Main issues found when coupling LPME and GFAAS, as well as those strategies reported in the literature to solve them, are summarized. Relevant applications published on the topic so far are included. Copyright © 2016 Elsevier B.V. All rights reserved.

Predictive design and interpretation of colliding pulse injected laser wakefield experiments

NASA Astrophysics Data System (ADS)

Cormier-Michel, Estelle; Ranjbar, Vahid H.; Cowan, Ben M.; Bruhwiler, David L.; Geddes, Cameron G. R.; Chen, Min; Ribera, Benjamin; Esarey, Eric; Schroeder, Carl B.; Leemans, Wim P.

2010-11-01

The use of colliding laser pulses to control the injection of plasma electrons into the plasma wake of a laser plasma accelerator is a promising approach to obtaining stable, tunable electron bunches with reduced emittance and energy spread. Colliding Pulse Injection (CPI) experiments are being performed by groups around the world. We will present recent particle-in-cell simulations, using the parallel VORPAL framework, of CPI for physical parameters relevant to ongoing experiments of the LOASIS program at LBNL. We evaluate the effect of laser and plasma tuning, on the trapped electron bunch and perform parameter scans in order to optimize the quality of the bunch. Impact of non-ideal effects such as imperfect laser modes and laser self focusing are also evaluated. Simulation data are validated against current experimental results, and are used to design future experiments.

Jet Fuel Exacerbated Noise-Induced Hearing Loss: Focus on Prediction of Central Auditory Processing Dysfunction

DTIC Science & Technology

2017-09-01

to develop a multi-scale model, together with relevant supporting experimental data, to describe jet fuel exacerbated noise induced hearing loss. In...scale model, together with relevant supporting experimental data, to describe jet fuel exacerbated noise-induced hearing loss. Such hearing loss...project was to develop a multi-scale model, together with relevant supporting experimental data, to describe jet fuel exacerbated NIHL. Herein we

Neuromusculoskeletal Model Calibration Significantly Affects Predicted Knee Contact Forces for Walking

PubMed Central

Serrancolí, Gil; Kinney, Allison L.; Fregly, Benjamin J.; Font-Llagunes, Josep M.

2016-01-01

Though walking impairments are prevalent in society, clinical treatments are often ineffective at restoring lost function. For this reason, researchers have begun to explore the use of patient-specific computational walking models to develop more effective treatments. However, the accuracy with which models can predict internal body forces in muscles and across joints depends on how well relevant model parameter values can be calibrated for the patient. This study investigated how knowledge of internal knee contact forces affects calibration of neuromusculoskeletal model parameter values and subsequent prediction of internal knee contact and leg muscle forces during walking. Model calibration was performed using a novel two-level optimization procedure applied to six normal walking trials from the Fourth Grand Challenge Competition to Predict In Vivo Knee Loads. The outer-level optimization adjusted time-invariant model parameter values to minimize passive muscle forces, reserve actuator moments, and model parameter value changes with (Approach A) and without (Approach B) tracking of experimental knee contact forces. Using the current guess for model parameter values but no knee contact force information, the inner-level optimization predicted time-varying muscle activations that were close to experimental muscle synergy patterns and consistent with the experimental inverse dynamic loads (both approaches). For all the six gait trials, Approach A predicted knee contact forces with high accuracy for both compartments (average correlation coefficient r = 0.99 and root mean square error (RMSE) = 52.6 N medial; average r = 0.95 and RMSE = 56.6 N lateral). In contrast, Approach B overpredicted contact force magnitude for both compartments (average RMSE = 323 N medial and 348 N lateral) and poorly matched contact force shape for the lateral compartment (average r = 0.90 medial and −0.10 lateral). Approach B had statistically higher lateral muscle forces and lateral optimal muscle fiber lengths but lower medial, central, and lateral normalized muscle fiber lengths compared to Approach A. These findings suggest that poorly calibrated model parameter values may be a major factor limiting the ability of neuromusculoskeletal models to predict knee contact and leg muscle forces accurately for walking. PMID:27210105

Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction.

PubMed

Lu, Jingtao; Goldsmith, Michael-Rock; Grulke, Christopher M; Chang, Daniel T; Brooks, Raina D; Leonard, Jeremy A; Phillips, Martin B; Hypes, Ethan D; Fair, Matthew J; Tornero-Velez, Rogelio; Johnson, Jeffre; Dary, Curtis C; Tan, Yu-Mei

2016-02-01

Developing physiologically-based pharmacokinetic (PBPK) models for chemicals can be resource-intensive, as neither chemical-specific parameters nor in vivo pharmacokinetic data are easily available for model construction. Previously developed, well-parameterized, and thoroughly-vetted models can be a great resource for the construction of models pertaining to new chemicals. A PBPK knowledgebase was compiled and developed from existing PBPK-related articles and used to develop new models. From 2,039 PBPK-related articles published between 1977 and 2013, 307 unique chemicals were identified for use as the basis of our knowledgebase. Keywords related to species, gender, developmental stages, and organs were analyzed from the articles within the PBPK knowledgebase. A correlation matrix of the 307 chemicals in the PBPK knowledgebase was calculated based on pharmacokinetic-relevant molecular descriptors. Chemicals in the PBPK knowledgebase were ranked based on their correlation toward ethylbenzene and gefitinib. Next, multiple chemicals were selected to represent exact matches, close analogues, or non-analogues of the target case study chemicals. Parameters, equations, or experimental data relevant to existing models for these chemicals and their analogues were used to construct new models, and model predictions were compared to observed values. This compiled knowledgebase provides a chemical structure-based approach for identifying PBPK models relevant to other chemical entities. Using suitable correlation metrics, we demonstrated that models of chemical analogues in the PBPK knowledgebase can guide the construction of PBPK models for other chemicals.

Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction

PubMed Central

Grulke, Christopher M.; Chang, Daniel T.; Brooks, Raina D.; Leonard, Jeremy A.; Phillips, Martin B.; Hypes, Ethan D.; Fair, Matthew J.; Tornero-Velez, Rogelio; Johnson, Jeffre; Dary, Curtis C.; Tan, Yu-Mei

2016-01-01

Developing physiologically-based pharmacokinetic (PBPK) models for chemicals can be resource-intensive, as neither chemical-specific parameters nor in vivo pharmacokinetic data are easily available for model construction. Previously developed, well-parameterized, and thoroughly-vetted models can be a great resource for the construction of models pertaining to new chemicals. A PBPK knowledgebase was compiled and developed from existing PBPK-related articles and used to develop new models. From 2,039 PBPK-related articles published between 1977 and 2013, 307 unique chemicals were identified for use as the basis of our knowledgebase. Keywords related to species, gender, developmental stages, and organs were analyzed from the articles within the PBPK knowledgebase. A correlation matrix of the 307 chemicals in the PBPK knowledgebase was calculated based on pharmacokinetic-relevant molecular descriptors. Chemicals in the PBPK knowledgebase were ranked based on their correlation toward ethylbenzene and gefitinib. Next, multiple chemicals were selected to represent exact matches, close analogues, or non-analogues of the target case study chemicals. Parameters, equations, or experimental data relevant to existing models for these chemicals and their analogues were used to construct new models, and model predictions were compared to observed values. This compiled knowledgebase provides a chemical structure-based approach for identifying PBPK models relevant to other chemical entities. Using suitable correlation metrics, we demonstrated that models of chemical analogues in the PBPK knowledgebase can guide the construction of PBPK models for other chemicals. PMID:26871706

Reconnection Scaling Experiment (RSX): Magnetic Reconnection in Linear Geometry

NASA Astrophysics Data System (ADS)

Intrator, T.; Sovinec, C.; Begay, D.; Wurden, G.; Furno, I.; Werley, C.; Fisher, M.; Vermare, L.; Fienup, W.

2001-10-01

The linear Reconnection Scaling Experiment (RSX) at LANL is a qualitatively different way of creating MHD relevant plasmas to look at the physics of magnetic reconnection. We show here an overview of the experiment and initial electrostatic and magnetic probe data. Plasma creation using plasma guns is independent of equilibrium or force balance, so we can scale many relevant parameters. As the magnetic reconnection region between two parallel current channels sweeps down a long plasma column we can generate 3D movies of magnetic reconnection from many repetitive shots. If two current channels were to move because of kink instabilities instead of mutual J x B forces and reconnection effects, each shot would less reproducible. Our data show the kink stability boundary for a single current channel. We compare this with MHD 2 fluid NIMROD simulations of the single current channel kink stability boundary for a variety of experimental conditions.

Joint estimation of phase and phase diffusion for quantum metrology.

PubMed

Vidrighin, Mihai D; Donati, Gaia; Genoni, Marco G; Jin, Xian-Min; Kolthammer, W Steven; Kim, M S; Datta, Animesh; Barbieri, Marco; Walmsley, Ian A

2014-04-14

Phase estimation, at the heart of many quantum metrology and communication schemes, can be strongly affected by noise, whose amplitude may not be known, or might be subject to drift. Here we investigate the joint estimation of a phase shift and the amplitude of phase diffusion at the quantum limit. For several relevant instances, this multiparameter estimation problem can be effectively reshaped as a two-dimensional Hilbert space model, encompassing the description of an interferometer phase probed with relevant quantum states--split single-photons, coherent states or N00N states. For these cases, we obtain a trade-off bound on the statistical variances for the joint estimation of phase and phase diffusion, as well as optimum measurement schemes. We use this bound to quantify the effectiveness of an actual experimental set-up for joint parameter estimation for polarimetry. We conclude by discussing the form of the trade-off relations for more general states and measurements.

Oxygen Buffering in High Pressure Solid Media Assemblies: New Approach Enabling Study of fO2 from IW-4 to IW+4.5

NASA Technical Reports Server (NTRS)

Righter, K.; Pando, K. M.; Ross, D. K.; Butterworth, A. L.; Gainsforth, Z.; Jilly-Rehak, C. E.; Westphal, A. J.

2017-01-01

Oxygen fugacity is an intensive parameter that controls some fundamental chemical and physical properties in planetary materials. In terrestrial magmas high fO2 promotes magnetite stability and low fO2 causes Fe-enrichment due to magnetite suppression. In lunar and asteroidal basalts, low fO2 can allow metal to be stable. Experimental studies will therefore be most useful if they are done at a specific and relevant fO2 for the samples under consideration. Control of fO2 in the solid media apparatus (piston cylinder multi-anvil) has relied on either sliding sensors or graphite capsule buffering, which are of limited application to the wide range of fO2 recorded in planetary or astromaterials. Here we describe a new approach that allows fO2 to be specified across a wide range of values relevant to natural samples.

Statistical Modeling of Single Target Cell Encapsulation

PubMed Central

Moon, SangJun; Ceyhan, Elvan; Gurkan, Umut Atakan; Demirci, Utkan

2011-01-01

High throughput drop-on-demand systems for separation and encapsulation of individual target cells from heterogeneous mixtures of multiple cell types is an emerging method in biotechnology that has broad applications in tissue engineering and regenerative medicine, genomics, and cryobiology. However, cell encapsulation in droplets is a random process that is hard to control. Statistical models can provide an understanding of the underlying processes and estimation of the relevant parameters, and enable reliable and repeatable control over the encapsulation of cells in droplets during the isolation process with high confidence level. We have modeled and experimentally verified a microdroplet-based cell encapsulation process for various combinations of cell loading and target cell concentrations. Here, we explain theoretically and validate experimentally a model to isolate and pattern single target cells from heterogeneous mixtures without using complex peripheral systems. PMID:21814548

Preclinical Performance Evaluation of Percutaneous Glucose Biosensors: Experimental Considerations and Recommendations.

PubMed

Soto, Robert J; Schoenfisch, Mark H

2015-06-17

The utility of continuous glucose monitoring devices remains limited by an obstinate foreign body response (FBR) that degrades the analytical performance of the in vivo sensor. A number of novel materials that resist or delay the FBR have been proposed as outer, tissue-contacting glucose sensor membranes as a strategy to improve sensor accuracy. Traditionally, researchers have examined the ability of a material to minimize the host response by assessing adsorbed cell morphology and tissue histology. However, these techniques do not adequately predict in vivo glucose sensor function, necessitating sensor performance evaluation in a relevant animal model prior to human testing. Herein, the effects of critical experimental parameters, including the animal model and data processing methods, on the reliability and usefulness of preclinical sensor performance data are considered. © 2015 Diabetes Technology Society.

Practical application of stereological methods in experimental kidney animal models.

PubMed

Fernández García, María Teresa; Núñez Martínez, Paula; García de la Fuente, Vanessa; Sánchez Pitiot, Marta; Muñiz Salgueiro, María Del Carmen; Perillán Méndez, Carmen; Argüelles Luis, Juan; Astudillo González, Aurora

The kidneys are vital organs responsible for excretion, fluid and electrolyte balance and hormone production. The nephrons are the kidney's functional and structural units. The number, size and distribution of the nephron components contain relevant information on renal function. Stereology is a branch of morphometry that applies mathematical principles to obtain three-dimensional information from serial, parallel and equidistant two-dimensional microscopic sections. Because of the complexity of stereological studies and the lack of scientific literature on the subject, the aim of this paper is to clearly explain, through animal models, the basic concepts of stereology and how to calculate the main kidney stereological parameters that can be applied in future experimental studies. Copyright © 2016 Sociedad Española de Nefrología. Published by Elsevier España, S.L.U. All rights reserved.

Swinging Atwood Machine: Experimental and numerical results, and a theoretical study

NASA Astrophysics Data System (ADS)

Pujol, O.; Pérez, J. P.; Ramis, J. P.; Simó, C.; Simon, S.; Weil, J. A.

2010-06-01

A Swinging Atwood Machine ( SAM) is built and some experimental results concerning its dynamic behaviour are presented. Experiments clearly show that pulleys play a role in the motion of the pendulum, since they can rotate and have non-negligible radii and masses. Equations of motion must therefore take into account the moment of inertia of the pulleys, as well as the winding of the rope around them. Their influence is compared to previous studies. A preliminary discussion of the role of dissipation is included. The theoretical behaviour of the system with pulleys is illustrated numerically, and the relevance of different parameters is highlighted. Finally, the integrability of the dynamic system is studied, the main result being that the machine with pulleys is non-integrable. The status of the results on integrability of the pulley-less machine is also recalled.

Formation and field-driven dynamics of nematic spheroids.

PubMed

Fu, Fred; Abukhdeir, Nasser Mohieddin

2017-07-19

Unlike the canonical application of liquid crystals (LCs), LC displays, emerging technologies based on LC materials are increasingly leveraging the presence of nanoscale defects. The inherent nanoscale characteristics of LC defects present both significant opportunities as well as barriers for the application of this fascinating class of materials. Simulation-based approaches to the study of the effects of confinement and interface anchoring conditions on LC domains has resulted in significant progress over the past decade, where simulations are now able to access experimentally-relevant length scales while simultaneously capturing nanoscale defect structures. In this work, continuum simulations were performed in order to study the dynamics of micron-scale nematic LC spheroids of varying shape. Nematic spheroids are one of the simplest inherently defect-containing LC structures and are relevant to polymer-dispersed LC-based "smart" window technology. Simulation results include nematic phase formation and external field-switching dynamics of nematic spheroids ranging in shape from oblate to prolate. Results include both qualitative and quantitative insight into the complex coupling of nanoscale defect dynamics and structure transitions to micron-scale reorientation. Dynamic mechanisms are presented and related to structural transitions in LC defects present in the nematic domain. Domain-averaged metrics including order parameters and response times are determined for a range of experimentally-accessible electric field strengths. These results have both fundamental and technological relevance, in that increased understanding of LC dynamics in the presence of defects is a key barrier to continued advancement in the field.

Using a familiar risk comparison within a risk ladder to improve risk understanding by low numerates: a study of visual attention.

PubMed

Keller, Carmen

2011-07-01

Previous experimental research provides evidence that a familiar risk comparison within a risk ladder is understood by low- and high-numerate individuals. It especially helps low numerates to better evaluate risk. In the present study, an eye tracker was used to capture individuals' visual attention to a familiar risk comparison, such as the risk associated with smoking. Two parameters of information processing-efficiency and level-were derived from visual attention. A random sample of participants from the general population (N= 68) interpreted a given risk level with the help of the risk ladder. Numeracy was negatively correlated with overall visual attention on the risk ladder (r(s) =-0.28, p= 0.01), indicating that the lower the numeracy, the more the time spent looking at the whole risk ladder. Numeracy was positively correlated with the efficiency of processing relevant frequency (r(s) = 0.34, p < 0.001) and relevant textual information (r(s) = 0.34, p < 0.001), but not with the efficiency of processing relevant comparative information and numerical information. There was a significant negative correlation between numeracy and the level of processing of relevant comparative risk information (r(s) =-0.21, p < 0.01), indicating that low numerates processed the comparative risk information more deeply than the high numerates. There was no correlation between numeracy and perceived risk. These results add to previous experimental research, indicating that the smoking risk comparison was crucial for low numerates to evaluate and understand risk. Furthermore, the eye-tracker method is promising for studying information processing and improving risk communication formats. © 2011 Society for Risk Analysis.

Do chimpanzees use weight to select hammer tools?

PubMed

Schrauf, Cornelia; Call, Josep; Fuwa, Koki; Hirata, Satoshi

2012-01-01

The extent to which tool-using animals take into account relevant task parameters is poorly understood. Nut cracking is one of the most complex forms of tool use, the choice of an adequate hammer being a critical aspect in success. Several properties make a hammer suitable for nut cracking, with weight being a key factor in determining the impact of a strike; in general, the greater the weight the fewer strikes required. This study experimentally investigated whether chimpanzees are able to encode the relevance of weight as a property of hammers to crack open nuts. By presenting chimpanzees with three hammers that differed solely in weight, we assessed their ability to relate the weight of the different tools with their effectiveness and thus select the most effective one(s). Our results show that chimpanzees use weight alone in selecting tools to crack open nuts and that experience clearly affects the subjects' attentiveness to the tool properties that are relevant for the task at hand. Chimpanzees can encode the requirements that a nut-cracking tool should meet (in terms of weight) to be effective.

Discussion of the influence of CO and CH4 in CO2 transport, injection, and storage for CCS technology.

PubMed

Blanco, Sofía T; Rivas, Clara; Bravo, Ramón; Fernández, Javier; Artal, Manuela; Velasco, Inmaculada

2014-09-16

This paper discusses the influence of the noncondensable impurities CO and CH4 on Carbon Capture and Storage (CCS) technology. We calculated and drew conclusions about the impact of both impurities in the CO2 on selected transport, injection, and storage parameters (pipeline pressure drop, storage capacity, etc.), whose analysis is necessary for the safe construction and operation of CO2 pipelines and for the secure long-term geological storage of anthropogenic CO2. To calculate these parameters, it is necessary to acquire data on the volumetric properties and the vapor-liquid equilibrium of the fluid being subjected to CCS. In addition to literature data, we used new experimental data, which are presented here and were obtained for five mixtures of CO2+CO with compositions characteristic of the typical emissions of the E.U. and the U.S.A. Temperatures and pressures are based on relevant CO2 pipeline and geological storage site values. From our experimental results, Peng-Robinson, PC-SAFT, and GERG Equations of State for were validated CO2+CO under the conditions of CCS. We conclude that the concentration of both impurities strongly affects the studied parameters, with CO being the most influential and problematic. The overall result of these negative effects is an increase in the difficulties, risks, and overall costs of CCS.

Influence of experimental conditions on data variability in the liver comet assay.

PubMed

Guérard, M; Marchand, C; Plappert-Helbig, U

2014-03-01

The in vivo comet assay has increasingly been used for regulatory genotoxicity testing in recent years. While it has been demonstrated that the experimental execution of the assay, for example, electrophoresis or scoring, can have a strong impact on the results; little is known on how initial steps, that is, from tissue sampling during necropsy up to slide preparation, can influence the comet assay results. Therefore, we investigated which of the multitude of steps in processing the liver for the comet assay are most critical. All together eight parameters were assessed by using liver samples of untreated animals. In addition, two of those parameters (temperature and storage time of liver before embedding into agarose) were further investigated in animals given a single oral dose of ethyl methanesulfonate at dose levels of 50, 100, and 200 mg/kg, 3 hr prior to necropsy. The results showed that sample cooling emerged as the predominant influence factor, whereas variations in other elements of the procedure (e.g., size of the liver piece sampled, time needed to process the liver tissue post-mortem, agarose temperature, or time of lysis) seem to be of little relevance. Storing of liver samples of up to 6 hr under cooled conditions did not cause an increase in tail intensity. In contrast, storing the tissue at room temperature, resulted in a considerable time-dependent increase in comet parameters. Copyright © 2013 Wiley Periodicals, Inc.

Correlation Between Material Properties of Ferroelectric Thin Films and Design Parameters for Microwave Device Applications: Modeling Examples and Experimental Verification

NASA Technical Reports Server (NTRS)

Miranda, Felix A.; VanKeuls, Fred W.; Subramanyam, Guru; Mueller, Carl H.; Romanofsky, Robert R.; Rosado, Gerardo

2000-01-01

The application of thin ferroelectric films for frequency and phase agile components is the topic of interest of many research groups worldwide. Consequently, proof-of-concepts (POC) of different tunable microwave components using either (HTS, metal)/ferroelectric thin film/dielectric heterostructures or (thick, thin) film "flip-chip" technology have been reported. Either as ferroelectric thin film characterization tools or from the point of view of circuit implementation approach, both configurations have their respective advantages and limitations. However, we believe that because of the progress made so far using the heterostructure (i.e., multilayer) approach, and due to its intrinsic features such as planar configuration and monolithic integration, a study on the correlation of circuit geometry aspects and ferroelectric material properties could accelerate the insertion of this technology into working systems. In this paper, we will discuss our study performed on circuits based on microstrip lines at frequencies above 10 GHz, where the multilayer configuration offers greater ease of insertion due to circuit's size reduction. Modeled results of relevant circuit parameters such as the characteristic impedance, effective dielectric constant, and attenuation as a function of ferroelectric film's dielectric constant, tans, and thickness, will be presented for SrTiO3 and Ba(x)Sr(1-x)TiO3 ferroelectric films. A comparison between the modeled and experimental data for some of these parameters will be presented.

The interaction of intense subpicosecond laser pulses with underdense plasmas

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

Coverdale, Christine Ann

1995-05-11

Laser-plasma interactions have been of interest for many years not only from a basic physics standpoint, but also for their relevance to numerous applications. Advances in laser technology in recent years have resulted in compact laser systems capable of generating (psec), 10 16 W/cm 2 laser pulses. These lasers have provided a new regime in which to study laser-plasma interactions, a regime characterized by L plasma ≥ 2L Rayleigh > cτ. The goal of this dissertation is to experimentally characterize the interaction of a short pulse, high intensity laser with an underdense plasma (n o ≤ 0.05n cr). Specifically, themore » parametric instability known as stimulated Raman scatter (SRS) is investigated to determine its behavior when driven by a short, intense laser pulse. Both the forward Raman scatter instability and backscattered Raman instability are studied. The coupled partial differential equations which describe the growth of SRS are reviewed and solved for typical experimental laser and plasma parameters. This solution shows the growth of the waves (electron plasma and scattered light) generated via stimulated Raman scatter. The dispersion relation is also derived and solved for experimentally accessible parameters. The solution of the dispersion relation is used to predict where (in k-space) and at what frequency (in ω-space) the instability will grow. Both the nonrelativistic and relativistic regimes of the instability are considered.« less

Longitudinal instabilities of the experimentally generated laser accelerated ion beam relevant to fast ignition

NASA Astrophysics Data System (ADS)

Khoshbinfar, S.

2017-11-01

The advent of laser-assisted ion acceleration technology promises an alternative candidate to conventional accelerator drivers used in inertial confinement fusion. The experimental generation of quasi-monoenergetic heavier ion species i.e. carbon and aluminum, applicable to fast ignition studies has been recently reported. The propagation of these energetic ions may impact on the proper ignition phase through growing of micro-instabilities of beam-plasma system. The growth of flow-aligned instabilities is much more important for heavier ions transport in the dense plasma. Here, we have presented a general non-relativistic one-dimensional dispersion relation of cold fluid model as well as corresponding kinetic theory of incident ion beam with atomic number, Zb enters into a fast ignition DT plasma. The longitudinal instabilities of some selected average energies of experimentally generated C6+ (EC=50, 100 and 200 MeV with δE/E ∼ 10 %) and Al11+ (EAl=150 and 300 MeV with δE/E ∼25%) quasi-monoenergetic beams were examined and beam-plasma system stable configuration have been then derived. It has been shown that in the kinetic theory framework, carbon and aluminum ions may be completely stabilized by the combination of beam to plasma density ratio (αb) and plasma temperature (Tp) of ignition phase parameters. Moreover, in complete stabilization, αb parameter of aluminum beam is an order of magnitude lower than carbon.

Biophysical model for assessment of risk of acute exposures in combination with low level chronic irradiation

NASA Astrophysics Data System (ADS)

Smirnova, O. A.

A biophysical model is developed which describes the mortality dynamics in mammalian populations unexposed and exposed to radiation The model relates statistical biometric functions mortality rate life span probability density and life span probability with statistical characteristics and dynamics of a critical body system in individuals composing the population The model describing the dynamics of thrombocytopoiesis in nonirradiated and irradiated mammals is also developed this hematopoietic line being considered as the critical body system under exposures in question The mortality model constructed in the framework of the proposed approach was identified to reproduce the irradiation effects on populations of mice The most parameters of the thrombocytopoiesis model were determined from the data available in the literature on hematology and radiobiology the rest parameters were evaluated by fitting some experimental data on the dynamics of this system in acutely irradiated mice The successful verification of the thrombocytopoiesis model was fulfilled by the quantitative juxtaposition of the modeling predictions and experimental data on the dynamics of this system in mice exposed to either acute or chronic irradiation at wide ranges of doses and dose rates It is important that only experimental data on the mortality rate in nonirradiated population and the relevant statistical characteristics of the thrombocytopoiesis system in mice which are also available in the literature on radiobiology are needed for the final identification of

Electro-optical parameters of bond polarizability model for aluminosilicates.

PubMed

Smirnov, Konstantin S; Bougeard, Daniel; Tandon, Poonam

2006-04-06

Electro-optical parameters (EOPs) of bond polarizability model (BPM) for aluminosilicate structures were derived from quantum-chemical DFT calculations of molecular models. The tensor of molecular polarizability and the derivatives of the tensor with respect to the bond length are well reproduced with the BPM, and the EOPs obtained are in a fair agreement with available experimental data. The parameters derived were found to be transferable to larger molecules. This finding suggests that the procedure used can be applied to systems with partially ionic chemical bonds. The transferability of the parameters to periodic systems was tested in molecular dynamics simulation of the polarized Raman spectra of alpha-quartz. It appeared that the molecular Si-O bond EOPs failed to reproduce the intensity of peaks in the spectra. This limitation is due to large values of the longitudinal components of the bond polarizability and its derivative found in the molecular calculations as compared to those obtained from periodic DFT calculations of crystalline silica polymorphs by Umari et al. (Phys. Rev. B 2001, 63, 094305). It is supposed that the electric field of the solid is responsible for the difference of the parameters. Nevertheless, the EOPs obtained can be used as an initial set of parameters for calculations of polarizability related characteristics of relevant systems in the framework of BPM.

Pulsatility Index as a Diagnostic Parameter of Reciprocating Wall Shear Stress Parameters in Physiological Pulsating Waveforms

PubMed Central

Avrahami, Idit; Kersh, Dikla

2016-01-01

Arterial wall shear stress (WSS) parameters are widely used for prediction of the initiation and development of atherosclerosis and arterial pathologies. Traditional clinical evaluation of arterial condition relies on correlations of WSS parameters with average flow rate (Q) and heart rate (HR) measurements. We show that for pulsating flow waveforms in a straight tube with flow reversals that lead to significant reciprocating WSS, the measurements of HR and Q are not sufficient for prediction of WSS parameters. Therefore, we suggest adding a third quantity—known as the pulsatility index (PI)—which is defined as the peak-to-peak flow rate amplitude normalized by Q. We examine several pulsating flow waveforms with and without flow reversals using a simulation of a Womersley model in a straight rigid tube and validate the simulations through experimental study using particle image velocimetry (PIV). The results indicate that clinically relevant WSS parameters such as the percentage of negative WSS (P[%]), oscillating shear index (OSI) and the ratio of minimum to maximum shear stress rates (min/max), are better predicted when the PI is used in conjunction with HR and Q. Therefore, we propose to use PI as an additional and essential diagnostic quantity for improved predictability of the reciprocating WSS. PMID:27893801

Application of all-relevant feature selection for the failure analysis of parameter-induced simulation crashes in climate models

NASA Astrophysics Data System (ADS)

Paja, Wiesław; Wrzesien, Mariusz; Niemiec, Rafał; Rudnicki, Witold R.

2016-03-01

Climate models are extremely complex pieces of software. They reflect the best knowledge on the physical components of the climate; nevertheless, they contain several parameters, which are too weakly constrained by observations, and can potentially lead to a simulation crashing. Recently a study by Lucas et al. (2013) has shown that machine learning methods can be used for predicting which combinations of parameters can lead to the simulation crashing and hence which processes described by these parameters need refined analyses. In the current study we reanalyse the data set used in this research using different methodology. We confirm the main conclusion of the original study concerning the suitability of machine learning for the prediction of crashes. We show that only three of the eight parameters indicated in the original study as relevant for prediction of the crash are indeed strongly relevant, three others are relevant but redundant and two are not relevant at all. We also show that the variance due to the split of data between training and validation sets has a large influence both on the accuracy of predictions and on the relative importance of variables; hence only a cross-validated approach can deliver a robust prediction of performance and relevance of variables.

Probabilistic migration modelling focused on functional barrier efficiency and low migration concepts in support of risk assessment.

PubMed

Brandsch, Rainer

2017-10-01

Migration modelling provides reliable migration estimates from food-contact materials (FCM) to food or food simulants based on mass-transfer parameters like diffusion and partition coefficients related to individual materials. In most cases, mass-transfer parameters are not readily available from the literature and for this reason are estimated with a given uncertainty. Historically, uncertainty was accounted for by introducing upper limit concepts first, turning out to be of limited applicability due to highly overestimated migration results. Probabilistic migration modelling gives the possibility to consider uncertainty of the mass-transfer parameters as well as other model inputs. With respect to a functional barrier, the most important parameters among others are the diffusion properties of the functional barrier and its thickness. A software tool that accepts distribution as inputs and is capable of applying Monte Carlo methods, i.e., random sampling from the input distributions of the relevant parameters (i.e., diffusion coefficient and layer thickness), predicts migration results with related uncertainty and confidence intervals. The capabilities of probabilistic migration modelling are presented in the view of three case studies (1) sensitivity analysis, (2) functional barrier efficiency and (3) validation by experimental testing. Based on the predicted migration by probabilistic migration modelling and related exposure estimates, safety evaluation of new materials in the context of existing or new packaging concepts is possible. Identifying associated migration risk and potential safety concerns in the early stage of packaging development is possible. Furthermore, dedicated material selection exhibiting required functional barrier efficiency under application conditions becomes feasible. Validation of the migration risk assessment by probabilistic migration modelling through a minimum of dedicated experimental testing is strongly recommended.

Building an experimental model of the human body with non-physiological parameters.

PubMed

Labuz, Joseph M; Moraes, Christopher; Mertz, David R; Leung, Brendan M; Takayama, Shuichi

2017-03-01

New advances in engineering and biomedical technology have enabled recent efforts to capture essential aspects of human physiology in microscale, in-vitro systems. The application of these advances to experimentally model complex processes in an integrated platform - commonly called a 'human-on-a-chip (HOC)' - requires that relevant compartments and parameters be sized correctly relative to each other and to the system as a whole. Empirical observation, theoretical treatments of resource distribution systems and natural experiments can all be used to inform rational design of such a system, but technical and fundamental challenges (e.g. small system blood volumes and context-dependent cell metabolism, respectively) pose substantial, unaddressed obstacles. Here, we put forth two fundamental principles for HOC design: inducing in-vivo -like cellular metabolic rates is necessary and may be accomplished in-vitro by limiting O 2 availability and that the effects of increased blood volumes on drug concentration can be mitigated through pharmacokinetics-based treatments of solute distribution. Combining these principles with natural observation and engineering workarounds, we derive a complete set of design criteria for a practically realizable, physiologically faithful, five-organ millionth-scale (× 10 -6 ) microfluidic model of the human body.

Building an experimental model of the human body with non-physiological parameters

PubMed Central

Labuz, Joseph M.; Moraes, Christopher; Mertz, David R.; Leung, Brendan M.; Takayama, Shuichi

2017-01-01

New advances in engineering and biomedical technology have enabled recent efforts to capture essential aspects of human physiology in microscale, in-vitro systems. The application of these advances to experimentally model complex processes in an integrated platform — commonly called a ‘human-on-a-chip (HOC)’ — requires that relevant compartments and parameters be sized correctly relative to each other and to the system as a whole. Empirical observation, theoretical treatments of resource distribution systems and natural experiments can all be used to inform rational design of such a system, but technical and fundamental challenges (e.g. small system blood volumes and context-dependent cell metabolism, respectively) pose substantial, unaddressed obstacles. Here, we put forth two fundamental principles for HOC design: inducing in-vivo-like cellular metabolic rates is necessary and may be accomplished in-vitro by limiting O2 availability and that the effects of increased blood volumes on drug concentration can be mitigated through pharmacokinetics-based treatments of solute distribution. Combining these principles with natural observation and engineering workarounds, we derive a complete set of design criteria for a practically realizable, physiologically faithful, five-organ millionth-scale (× 10−6) microfluidic model of the human body. PMID:28713851

Optimized setup for two-dimensional convection experiments in thin liquid films

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

Winkler, Michael; Abel, Markus; Ambrosys GmbH, 14473 Potsdam

2016-06-15

We present a novel experimental setup to investigate two-dimensional thermal convection in a freestanding thin liquid film. Such films can be produced in a controlled way on the scale of 5–1000 nm. Our primary goal is to investigate convection patterns and the statistics of reversals in Rayleigh-Bénard convection with varying aspect ratio. Additionally, questions regarding the physics of liquid films under controlled conditions can be investigated, like surface forces, or stability under varying thermodynamical parameters. The film is suspended in a frame which can be adjusted in height and width to span an aspect ratio range of Γ = 0.16–10.more » The top and bottom frame elements can be set to specific temperature within T = 15 °C to 55 °C. A thickness to area ratio of approximately 10{sup 8} enables only two-dimensional fluid motion in the time scales relevant for turbulent motion. The chemical composition of the film is well-defined and optimized for film stability and reproducibility and in combination with carefully controlled ambient parameters allows the comparison to existing experimental and numerical data.« less

SIMPLE estimate of the free energy change due to aliphatic mutations: superior predictions based on first principles.

PubMed

Bueno, Marta; Camacho, Carlos J; Sancho, Javier

2007-09-01

The bioinformatics revolution of the last decade has been instrumental in the development of empirical potentials to quantitatively estimate protein interactions for modeling and design. Although computationally efficient, these potentials hide most of the relevant thermodynamics in 5-to-40 parameters that are fitted against a large experimental database. Here, we revisit this longstanding problem and show that a careful consideration of the change in hydrophobicity, electrostatics, and configurational entropy between the folded and unfolded state of aliphatic point mutations predicts 20-30% less false positives and yields more accurate predictions than any published empirical energy function. This significant improvement is achieved with essentially no free parameters, validating past theoretical and experimental efforts to understand the thermodynamics of protein folding. Our first principle analysis strongly suggests that both the solute-solute van der Waals interactions in the folded state and the electrostatics free energy change of exposed aliphatic mutations are almost completely compensated by similar interactions operating in the unfolded ensemble. Not surprisingly, the problem of properly accounting for the solvent contribution to the free energy of polar and charged group mutations, as well as of mutations that disrupt the protein backbone remains open. 2007 Wiley-Liss, Inc.

Fragmentation modeling of a resin bonded sand

NASA Astrophysics Data System (ADS)

Hilth, William; Ryckelynck, David

2017-06-01

Cemented sands exhibit a complex mechanical behavior that can lead to sophisticated models, with numerous parameters without real physical meaning. However, using a rather simple generalized critical state bonded soil model has proven to be a relevant compromise between an easy calibration and good results. The constitutive model formulation considers a non-associated elasto-plastic formulation within the critical state framework. The calibration procedure, using standard laboratory tests, is complemented by the study of an uniaxial compression test observed by tomography. Using finite elements simulations, this test is simulated considering a non-homogeneous 3D media. The tomography of compression sample gives access to 3D displacement fields by using image correlation techniques. Unfortunately these fields have missing experimental data because of the low resolution of correlations for low displacement magnitudes. We propose a recovery method that reconstructs 3D full displacement fields and 2D boundary displacement fields. These fields are mandatory for the calibration of the constitutive parameters by using 3D finite element simulations. The proposed recovery technique is based on a singular value decomposition of available experimental data. This calibration protocol enables an accurate prediction of the fragmentation of the specimen.

Theoretical and experimental study on the effects of particle size and temperature on the reaction kinetics of cubic nano-Cu2O

NASA Astrophysics Data System (ADS)

Tang, Huanfeng; Huang, Zaiyin; Xiao, Ming; Liang, Min; Chen, Liying; Tan, XueCai

2017-09-01

The activities, selectivities, and stabilities of nanoparticles in heterogeneous reactions are size-dependent. In order to investigate the influencing laws of particle size and temperature on kinetic parameters in heterogeneous reactions, cubic nano-Cu2O particles of four different sizes in the range of 40-120 nm have been controllably synthesized. In situ microcalorimetry has been used to attain thermodynamic data on the reaction of Cu2O with aqueous HNO3 and, combined with thermodynamic principles and kinetic transition-state theory, the relevant reaction kinetic parameters have been evaluated. The size dependences of the kinetic parameters are discussed in terms of the established kinetic model and the experimental results. It was found that the reaction rate constants increased with decreasing particle size. Accordingly, the apparent activation energy, pre-exponential factor, activation enthalpy, activation entropy, and activation Gibbs energy decreased with decreasing particle size. The reaction rate constants and activation Gibbs energies increased with increasing temperature. Moreover, the logarithms of the apparent activation energies, pre-exponential factors, and rate constants were found to be linearly related to the reciprocal of particle size, consistent with the kinetic models. The influence of particle size on these reaction kinetic parameters may be explained as follows: the apparent activation energy is affected by the partial molar enthalpy, the pre-exponential factor is affected by the partial molar entropy, and the reaction rate constant is affected by the partial molar Gibbs energy. [Figure not available: see fulltext.

Reference point indentation is insufficient for detecting alterations in traditional mechanical properties of bone under common experimental conditions.

PubMed

Krege, John B; Aref, Mohammad W; McNerny, Erin; Wallace, Joseph M; Organ, Jason M; Allen, Matthew R

2016-06-01

Reference point indentation (RPI) was developed as a novel method to assess mechanical properties of bone in vivo, yet it remains unclear what aspects of bone dictate changes/differences in RPI-based parameters. The main RPI parameter, indentation distance increase (IDI), has been proposed to be inversely related to the ability of bone to form/tolerate damage. The goal of this work was to explore the relationshipre-intervention RPI measurebetween RPI parameters and traditional mechanical properties under varying experimental conditions (drying and ashing bones to increase brittleness, demineralizing bones and soaking in raloxifene to decrease brittleness). Beams were machined from cadaveric bone, pre-tested with RPI, subjected to experimental manipulation, post-tested with RPI, and then subjected to four-point bending to failure. Drying and ashing significantly reduced RPI's IDI, as well as ultimate load (UL), and energy absorption measured from bending tests. Demineralization increased IDI with minimal change to bending properties. Ex vivo soaking in raloxifene had no effect on IDI but tended to enhance post-yield behavior at the structural level. These data challenge the paradigm of an inverse relationship between IDI and bone toughness, both through correlation analyses and in the individual experiments where divergent patterns of altered IDI and mechanical properties were noted. Based on these results, we conclude that RPI measurements alone, as compared to bending tests, are insufficient to reach conclusions regarding mechanical properties of bone. This proves problematic for the potential clinical use of RPI measurements in determining fracture risk for a single patient, as it is not currently clear that there is an IDI, or even a trend of IDI, that can determine clinically relevant changes in tissue properties that may contribute to whole bone fracture resistance. Copyright © 2016 Elsevier Inc. All rights reserved.

Reference point indentation is insufficient for detecting alterations in traditional mechanical properties of bone under common experimental conditions

PubMed Central

Krege, John B.; Aref, Mohammad W.; McNerny, Erin; Wallace, Joseph M.; Organ, Jason M.; Allen, Matthew R.

2016-01-01

Reference point indentation (RPI) was developed as a novel method to assess mechanical properties of bone in vivo, yet it remains unclear what aspects of bone dictate changes/differences in RPI-based parameters. The main RPI parameter, indentation distance increase (IDI), has been proposed to be inversely related to the ability of bone to form/tolerate damage. The goal of this work was to explore the relationship between RPI parameters and traditional mechanical properties under varying experimental conditions (drying and ashing bones to increase brittleness, demineralizing bones and soaking in raloxifene to decrease brittleness). Beams were machined from cadaveric bone, pre-tested with RPI, subjected to experimental manipulation, post-tested with RPI, and then subjected to four-point bending to failure. Drying and ashing significantly reduced RPI’s IDI, as well as ultimate load (UL), and energy absorption measured from bending tests. Demineralization increased IDI with minimal change to bending properties. Ex vivo soaking in raloxifene had no effect on IDI but tended to enhance post-yield behavior at the structural level. These data challenge the paradigm of an inverse relationship between IDI and bone toughness, both through correlation analyses and in the individual experiments where divergent patterns of altered IDI and mechanical properties were noted. Based on these results, we conclude that RPI measurements alone, as compared to bending tests, are insufficient to reach conclusions regarding mechanical properties of bone. This proves problematic for the potential clinical use of RPI measurements in determining fracture risk for a single patient, as it is not currently clear that there is an IDI, or even a trend of IDI, that can determine clinically relevant changes in tissue properties that may contribute to whole bone fracture resistance. PMID:27072518

Uncertainty Modeling for Structural Control Analysis and Synthesis

NASA Technical Reports Server (NTRS)

Campbell, Mark E.; Crawley, Edward F.

1996-01-01

The development of an accurate model of uncertainties for the control of structures that undergo a change in operational environment, based solely on modeling and experimentation in the original environment is studied. The application used throughout this work is the development of an on-orbit uncertainty model based on ground modeling and experimentation. A ground based uncertainty model consisting of mean errors and bounds on critical structural parameters is developed. The uncertainty model is created using multiple data sets to observe all relevant uncertainties in the system. The Discrete Extended Kalman Filter is used as an identification/parameter estimation method for each data set, in addition to providing a covariance matrix which aids in the development of the uncertainty model. Once ground based modal uncertainties have been developed, they are localized to specific degrees of freedom in the form of mass and stiffness uncertainties. Two techniques are presented: a matrix method which develops the mass and stiffness uncertainties in a mathematical manner; and a sensitivity method which assumes a form for the mass and stiffness uncertainties in macroelements and scaling factors. This form allows the derivation of mass and stiffness uncertainties in a more physical manner. The mass and stiffness uncertainties of the ground based system are then mapped onto the on-orbit system, and projected to create an analogous on-orbit uncertainty model in the form of mean errors and bounds on critical parameters. The Middeck Active Control Experiment is introduced as experimental verification for the localization and projection methods developed. In addition, closed loop results from on-orbit operations of the experiment verify the use of the uncertainty model for control analysis and synthesis in space.

ISSLS prize winner: integrating theoretical and experimental methods for functional tissue engineering of the annulus fibrosus.

PubMed

Nerurkar, Nandan L; Mauck, Robert L; Elliott, Dawn M

2008-12-01

Integrating theoretical and experimental approaches for annulus fibrosus (AF) functional tissue engineering. Apply a hyperelastic constitutive model to characterize the evolution of engineered AF via scalar model parameters. Validate the model and predict the response of engineered constructs to physiologic loading scenarios. There is need for a tissue engineered replacement for degenerate AF. When evaluating engineered replacements for load-bearing tissues, it is necessary to evaluate mechanical function with respect to the native tissue, including nonlinearity and anisotropy. Aligned nanofibrous poly-epsilon-caprolactone scaffolds with prescribed fiber angles were seeded with bovine AF cells and analyzed over 8 weeks, using experimental (mechanical testing, biochemistry, histology) and theoretical methods (a hyperelastic fiber-reinforced constitutive model). The linear region modulus for phi = 0 degrees constructs increased by approximately 25 MPa, and for phi = 90 degrees by approximately 2 MPa from 1 day to 8 weeks in culture. Infiltration and proliferation of AF cells into the scaffold and abundant deposition of s-GAG and aligned collagen was observed. The constitutive model had excellent fits to experimental data to yield matrix and fiber parameters that increased with time in culture. Correlations were observed between biochemical measures and model parameters. The model was successfully validated and used to simulate time-varying responses of engineered AF under shear and biaxial loading. AF cells seeded on nanofibrous scaffolds elaborated an organized, anisotropic AF-like extracellular matrix, resulting in improved mechanical properties. A hyperelastic fiber-reinforced constitutive model characterized the functional evolution of engineered AF constructs, and was used to simulate physiologically relevant loading configurations. Model predictions demonstrated that fibers resist shear even when the shearing direction does not coincide with the fiber direction. Further, the model suggested that the native AF fiber architecture is uniquely designed to support shear stresses encountered under multiple loading configurations.

Essential Annotation Schema for Ecology (EASE)—A framework supporting the efficient data annotation and faceted navigation in ecology

PubMed Central

Eichenberg, David; Liebergesell, Mario; König-Ries, Birgitta; Wirth, Christian

2017-01-01

Ecology has become a data intensive science over the last decades which often relies on the reuse of data in cross-experimental analyses. However, finding data which qualifies for the reuse in a specific context can be challenging. It requires good quality metadata and annotations as well as efficient search strategies. To date, full text search (often on the metadata only) is the most widely used search strategy although it is known to be inaccurate. Faceted navigation is providing a filter mechanism which is based on fine granular metadata, categorizing search objects along numeric and categorical parameters relevant for their discovery. Selecting from these parameters during a full text search creates a system of filters which allows to refine and improve the results towards more relevance. We developed a framework for the efficient annotation and faceted navigation in ecology. It consists of an XML schema for storing the annotation of search objects and is accompanied by a vocabulary focused on ecology to support the annotation process. The framework consolidates ideas which originate from widely accepted metadata standards, textbooks, scientific literature, and vocabularies as well as from expert knowledge contributed by researchers from ecology and adjacent disciplines. PMID:29023519

Detecting kinematic boundary surfaces in phase space: particle mass measurements in SUSY-like events

DOE PAGES

Debnath, Dipsikha; Gainer, James S.; Kilic, Can; ...

2017-06-19

We critically examine the classic endpoint method for particle mass determination, focusing on difficult corners of parameter space, where some of the measurements are not independent, while others are adversely affected by the experimental resolution. In such scenarios, mass differences can be measured relatively well, but the overall mass scale remains poorly constrained. Using the example of the standard SUSY decay chain q ~→χ ~ 0 2→ℓ ~→χ ~ 0 1 , we demonstrate that sensitivity to the remaining mass scale parameter can be recovered by measuring the two-dimensional kinematical boundary in the relevant three-dimensional phase space of invariant massesmore » squared. We develop an algorithm for detecting this boundary, which uses the geometric properties of the Voronoi tessellation of the data, and in particular, the relative standard deviation (RSD) of the volumes of the neighbors for each Voronoi cell in the tessellation. We propose a new observable, Σ¯ , which is the average RSD per unit area, calculated over the hypothesized boundary. We show that the location of the Σ¯ maximum correlates very well with the true values of the new particle masses. Our approach represents the natural extension of the one-dimensional kinematic endpoint method to the relevant three dimensions of invariant mass phase space.« less

Detecting kinematic boundary surfaces in phase space: particle mass measurements in SUSY-like events

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

Debnath, Dipsikha; Gainer, James S.; Kilic, Can

We critically examine the classic endpoint method for particle mass determination, focusing on difficult corners of parameter space, where some of the measurements are not independent, while others are adversely affected by the experimental resolution. In such scenarios, mass differences can be measured relatively well, but the overall mass scale remains poorly constrained. Using the example of the standard SUSY decay chain q ~→χ ~ 0 2→ℓ ~→χ ~ 0 1 , we demonstrate that sensitivity to the remaining mass scale parameter can be recovered by measuring the two-dimensional kinematical boundary in the relevant three-dimensional phase space of invariant massesmore » squared. We develop an algorithm for detecting this boundary, which uses the geometric properties of the Voronoi tessellation of the data, and in particular, the relative standard deviation (RSD) of the volumes of the neighbors for each Voronoi cell in the tessellation. We propose a new observable, Σ¯ , which is the average RSD per unit area, calculated over the hypothesized boundary. We show that the location of the Σ¯ maximum correlates very well with the true values of the new particle masses. Our approach represents the natural extension of the one-dimensional kinematic endpoint method to the relevant three dimensions of invariant mass phase space.« less

Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria

NASA Astrophysics Data System (ADS)

Gartner, Thomas; Epps, Thomas; Jayaraman, Arthi

Solvent vapor annealing (SVA) of polymer thin films is a promising method for post-deposition polymer film morphology control. The large number of important parameters relevant to SVA (polymer, solvent, and substrate chemistries, incoming film condition, annealing and solvent evaporation conditions) makes systematic experimental study of SVA a time-consuming endeavor, motivating the application of simulation and theory to the SVA system to provide both mechanistic insight and scans of this wide parameter space. However, to rigorously treat the phase equilibrium between polymer film and solvent vapor while still probing the dynamics of SVA, new simulation methods must be developed. In this presentation, we compare two methods to study polymer-solvent phase equilibrium-Gibbs Ensemble Molecular Dynamics (GEMD) and Hybrid Monte Carlo/Molecular Dynamics (Hybrid MC/MD). Liquid-vapor equilibrium results are presented for the Lennard Jones fluid and for coarse-grained polymer-solvent systems relevant to SVA. We found that the Hybrid MC/MD method is more stable and consistent than GEMD, but GEMD has significant advantages in computational efficiency. We propose that Hybrid MC/MD simulations be used for unfamiliar systems in certain choice conditions, followed by much faster GEMD simulations to map out the remainder of the phase window.

Detecting kinematic boundary surfaces in phase space: particle mass measurements in SUSY-like events

NASA Astrophysics Data System (ADS)

Debnath, Dipsikha; Gainer, James S.; Kilic, Can; Kim, Doojin; Matchev, Konstantin T.; Yang, Yuan-Pao

2017-06-01

We critically examine the classic endpoint method for particle mass determination, focusing on difficult corners of parameter space, where some of the measurements are not independent, while others are adversely affected by the experimental resolution. In such scenarios, mass differences can be measured relatively well, but the overall mass scale remains poorly constrained. Using the example of the standard SUSY decay chain \\tilde{q}\\to {\\tilde{χ}}_2^0\\to \\tilde{ℓ}\\to {\\tilde{χ}}_1^0 , we demonstrate that sensitivity to the remaining mass scale parameter can be recovered by measuring the two-dimensional kinematical boundary in the relevant three-dimensional phase space of invariant masses squared. We develop an algorithm for detecting this boundary, which uses the geometric properties of the Voronoi tessellation of the data, and in particular, the relative standard deviation (RSD) of the volumes of the neighbors for each Voronoi cell in the tessellation. We propose a new observable, \\overline{Σ} , which is the average RSD per unit area, calculated over the hypothesized boundary. We show that the location of the \\overline{Σ} maximum correlates very well with the true values of the new particle masses. Our approach represents the natural extension of the one-dimensional kinematic endpoint method to the relevant three dimensions of invariant mass phase space.

Growth-rate dependent global effects on gene expression in bacteria

PubMed Central

Klumpp, Stefan; Zhang, Zhongge; Hwa, Terence

2010-01-01

Summary Bacterial gene expression depends not only on specific regulations but also directly on bacterial growth, because important global parameters such as the abundance of RNA polymerases and ribosomes are all growth-rate dependent. Understanding these global effects is necessary for a quantitative understanding of gene regulation and for the robust design of synthetic genetic circuits. The observed growth-rate dependence of constitutive gene expression can be explained by a simple model using the measured growth-rate dependence of the relevant cellular parameters. More complex growth dependences for genetic circuits involving activators, repressors and feedback control were analyzed, and salient features were verified experimentally using synthetic circuits. The results suggest a novel feedback mechanism mediated by general growth-dependent effects and not requiring explicit gene regulation, if the expressed protein affects cell growth. This mechanism can lead to growth bistability and promote the acquisition of important physiological functions such as antibiotic resistance and tolerance (persistence). PMID:20064380

Ab initio molecular orbital calculations on the associated complexes of lithium cyanide with ammonia

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

Mohandas, P.; Shivaglal, M.C.; Chandrasekhar, J.

Ab initio molecular orbital (MO) calculations with the 3-21G and 6-31G basis sets are carried out on a series of complexes of NH{sub 3} with Li{sup +}, C{triple_bond}N{sup -}, LiCN, and its isomer LiNC. The BSSE-corrected interaction energies, geometrical parameters, internal force constants, and harmonic vibrational frequencies are evaluated for 15 species. Complexes with trifurcated (C{sub 3v}) structures are calculated to be saddle points on the potential energy surfaces and have one imaginary frequency each. Calculated energies, geometrical parameters, internal force constants, and harmonic vibrational frequencies of the various species considered are discussed in terms of the nature of associationmore » of LiCN with ammonia. The vibrational frequencies of the relevant complexed species are compared with the experimental frequencies reported earlier for solutions of lithium cyanide in liquid ammonia. 40 refs., 1 fig., 4 tabs.« less

Prospects for measuring the fuel ion ratio in burning ITER plasmas using a DT neutron emission spectrometer.

PubMed

Hellesen, C; Skiba, M; Dzysiuk, N; Weiszflog, M; Hjalmarsson, A; Ericsson, G; Conroy, S; Andersson-Sundén, E; Eriksson, J; Binda, F

2014-11-01

The fuel ion ratio nt/nd is an essential parameter for plasma control in fusion reactor relevant applications, since maximum fusion power is attained when equal amounts of tritium (T) and deuterium (D) are present in the plasma, i.e., nt/nd = 1.0. For neutral beam heated plasmas, this parameter can be measured using a single neutron spectrometer, as has been shown for tritium concentrations up to 90%, using data obtained with the MPR (Magnetic Proton Recoil) spectrometer during a DT experimental campaign at the Joint European Torus in 1997. In this paper, we evaluate the demands that a DT spectrometer has to fulfill to be able to determine nt/nd with a relative error below 20%, as is required for such measurements at ITER. The assessment shows that a back-scattering time-of-flight design is a promising concept for spectroscopy of 14 MeV DT emission neutrons.

Electron-impact Multiple-ionization Cross Sections for Atoms and Ions of Helium through Zinc

NASA Astrophysics Data System (ADS)

Hahn, M.; Müller, A.; Savin, D. W.

2017-12-01

We compiled a set of electron-impact multiple-ionization (EIMI) cross section for astrophysically relevant ions. EIMIs can have a significant effect on the ionization balance of non-equilibrium plasmas. For example, it can be important if there is a rapid change in the electron temperature or if there is a non-thermal electron energy distribution, such as a kappa distribution. Cross section for EIMI are needed in order to account for these processes in plasma modeling and for spectroscopic interpretation. Here, we describe our comparison of proposed semiempirical formulae to available experimental EIMI cross-section data. Based on this comparison, we interpolated and extrapolated fitting parameters to systems that have not yet been measured. A tabulation of the fit parameters is provided for 3466 EIMI cross sections and the associated Maxwellian plasma rate coefficients. We also highlight some outstanding issues that remain to be resolved.

Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regime.

PubMed

Denis-Alpizar, Otoniel; Bemish, Raymond J; Meuwly, Markus

2017-03-21

Vibrational energy relaxation (VER) of diatomics following collisions with the surrounding medium is an important elementary process for modeling high-temperature gas flow. VER is characterized by two parameters: the vibrational relaxation time τ vib and the state relaxation rates. Here the vibrational relaxation of CO(ν=0←ν=1) in Ar is considered for validating a computational approach to determine the vibrational relaxation time parameter (pτ vib ) using an accurate, fully dimensional potential energy surface. For lower temperatures, comparison with experimental data shows very good agreement whereas at higher temperatures (up to 25 000 K), comparisons with an empirically modified model due to Park confirm its validity for CO in Ar. Additionally, the calculations provide insight into the importance of Δν>1 transitions that are ignored in typical applications of the Landau-Teller framework.

Prospects for measuring the fuel ion ratio in burning ITER plasmas using a DT neutron emission spectrometer

NASA Astrophysics Data System (ADS)

Hellesen, C.; Skiba, M.; Dzysiuk, N.; Weiszflog, M.; Hjalmarsson, A.; Ericsson, G.; Conroy, S.; Andersson-Sundén, E.; Eriksson, J.; Binda, F.

2014-11-01

The fuel ion ratio nt/nd is an essential parameter for plasma control in fusion reactor relevant applications, since maximum fusion power is attained when equal amounts of tritium (T) and deuterium (D) are present in the plasma, i.e., nt/nd = 1.0. For neutral beam heated plasmas, this parameter can be measured using a single neutron spectrometer, as has been shown for tritium concentrations up to 90%, using data obtained with the MPR (Magnetic Proton Recoil) spectrometer during a DT experimental campaign at the Joint European Torus in 1997. In this paper, we evaluate the demands that a DT spectrometer has to fulfill to be able to determine nt/nd with a relative error below 20%, as is required for such measurements at ITER. The assessment shows that a back-scattering time-of-flight design is a promising concept for spectroscopy of 14 MeV DT emission neutrons.

Numerical Experimentation with Maximum Likelihood Identification in Static Distributed Systems

NASA Technical Reports Server (NTRS)

Scheid, R. E., Jr.; Rodriguez, G.

1985-01-01

Many important issues in the control of large space structures are intimately related to the fundamental problem of parameter identification. One might also ask how well this identification process can be carried out in the presence of noisy data since no sensor system is perfect. With these considerations in mind the algorithms herein are designed to treat both the case of uncertainties in the modeling and uncertainties in the data. The analytical aspects of maximum likelihood identification are considered in some detail in another paper. The questions relevant to the implementation of these schemes are dealt with, particularly as they apply to models of large space structures. The emphasis is on the influence of the infinite dimensional character of the problem on finite dimensional implementations of the algorithms. Those areas of current and future analysis are highlighted which indicate the interplay between error analysis and possible truncations of the state and parameter spaces.

Solar electric and thermal conversion system in close proximity to the consumer. [solar panels on house roofs

NASA Technical Reports Server (NTRS)

Boeer, K. W.

1975-01-01

Solar cells may be used to convert sunlight directly into electrical energy and into lowgrade heat to be used for large-scale terrestrial solar-energy conversion. Both forms of energy can be utilized if such cells are deployed in close proximity to the consumer (rooftop). Cadmium-sulfide/copper-sulfide (CdS/Cu2S) solar cells are an example of cells which may be produced inexpensively enough to become economically attractive. Cell parameters relevant for combined solar conversion are presented. Critical issues, such as production yield, life expectancy, and stability of performance, are discussed. Systems-design parameters related to operating temperatures are analyzed. First results obtained on Solar One, the experimental house of the University of Delaware, are given. Economic aspects are discussed. Different modes of operation are discussed in respect to the power utility and consumer incentives.

A Simple fMRI Compatible Robotic Stimulator to Study the Neural Mechanisms of Touch and Pain.

PubMed

Riillo, F; Bagnato, C; Allievi, A G; Takagi, A; Fabrizi, L; Saggio, G; Arichi, T; Burdet, E

2016-08-01

This paper presents a simple device for the investigation of the human somatosensory system with functional magnetic imaging (fMRI). PC-controlled pneumatic actuation is employed to produce innocuous or noxious mechanical stimulation of the skin. Stimulation patterns are synchronized with fMRI and other relevant physiological measurements like electroencephalographic activity and vital physiological parameters. The system allows adjustable regulation of stimulation parameters and provides consistent patterns of stimulation. A validation experiment demonstrates that the system safely and reliably identifies clusters of functional activity in brain regions involved in the processing of pain. This new device is inexpensive, portable, easy-to-assemble and customizable to suit different experimental requirements. It provides robust and consistent somatosensory stimulation, which is of crucial importance to investigating the mechanisms of pain and its strong connection with the sense of touch.

Modelling and identification for control of gas bearings

NASA Astrophysics Data System (ADS)

Theisen, Lukas R. S.; Niemann, Hans H.; Santos, Ilmar F.; Galeazzi, Roberto; Blanke, Mogens

2016-03-01

Gas bearings are popular for their high speed capabilities, low friction and clean operation, but suffer from poor damping, which poses challenges for safe operation in presence of disturbances. Feedback control can achieve enhanced damping but requires low complexity models of the dominant dynamics over its entire operating range. Models from first principles are complex and sensitive to parameter uncertainty. This paper presents an experimental technique for "in situ" identification of a low complexity model of a rotor-bearing-actuator system and demonstrates identification over relevant ranges of rotational speed and gas injection pressure. This is obtained using parameter-varying linear models that are found to capture the dominant dynamics. The approach is shown to be easily applied and to suit subsequent control design. Based on the identified models, decentralised proportional control is designed and shown to obtain the required damping in theory and in a laboratory test rig.

Inferring subunit stoichiometry from single molecule photobleaching

PubMed Central

2013-01-01

Single molecule photobleaching is a powerful tool for determining the stoichiometry of protein complexes. By attaching fluorophores to proteins of interest, the number of associated subunits in a complex can be deduced by imaging single molecules and counting fluorophore photobleaching steps. Because some bleaching steps might be unobserved, the ensemble of steps will be binomially distributed. In this work, it is shown that inferring the true composition of a complex from such data is nontrivial because binomially distributed observations present an ill-posed inference problem. That is, a unique and optimal estimate of the relevant parameters cannot be extracted from the observations. Because of this, a method has not been firmly established to quantify confidence when using this technique. This paper presents a general inference model for interpreting such data and provides methods for accurately estimating parameter confidence. The formalization and methods presented here provide a rigorous analytical basis for this pervasive experimental tool. PMID:23712552

Quadruped Robot Locomotion using a Global Optimization Stochastic Algorithm

NASA Astrophysics Data System (ADS)

Oliveira, Miguel; Santos, Cristina; Costa, Lino; Ferreira, Manuel

2011-09-01

The problem of tuning nonlinear dynamical systems parameters, such that the attained results are considered good ones, is a relevant one. This article describes the development of a gait optimization system that allows a fast but stable robot quadruped crawl gait. We combine bio-inspired Central Patterns Generators (CPGs) and Genetic Algorithms (GA). CPGs are modelled as autonomous differential equations, that generate the necessar y limb movement to perform the required walking gait. The GA finds parameterizations of the CPGs parameters which attain good gaits in terms of speed, vibration and stability. Moreover, two constraint handling techniques based on tournament selection and repairing mechanism are embedded in the GA to solve the proposed constrained optimization problem and make the search more efficient. The experimental results, performed on a simulated Aibo robot, demonstrate that our approach allows low vibration with a high velocity and wide stability margin for a quadruped slow crawl gait.

Dependence of cerebral-cortex activation in women on environmental factors

NASA Astrophysics Data System (ADS)

Pavlov, K. I.; Mukhin, V. N.; Kamenskaya, V. G.; Klimenko, V. M.

2016-12-01

The investigation of female physiological reactions to different meteorological conditions and space weather is relevant, since there are little experimental findings in this field. The purpose of this work is to determine how the level of cerebral-cortex activity in women depends on the meteorological and cosmophysical parameters of weather and space processes. We studied electroencephalograms (EEGs) recorded at rest in the sitting position and with eyes closed. We performed four series of measurements of brain bioelectrical activity from February to June 2013. We found that the level of cortical activity recorded by EEG changed significantly during these 6 months. Significant differences were detected between the cortical activity and the parameters of weather and space processes; namely, an increase in the air temperature and a decrease in the wind speed and cosmic-ray energy result in a decrease in the activity rate of the right occipital lobe.

Toward rational design of electrical stimulation strategies for epilepsy control

PubMed Central

Sunderam, Sridhar; Gluckman, Bruce; Reato, Davide; Bikson, Marom

2009-01-01

Electrical stimulation is emerging as a viable alternative for epilepsy patients whose seizures are not alleviated by drugs or surgery. Its attractions are temporal and spatial specificity of action, flexibility of waveform parameters and timing, and the perception that its effects are reversible unlike resective surgery. However, despite significant advances in our understanding of mechanisms of neural electrical stimulation, clinical electrotherapy for seizures relies heavily on empirical tuning of parameters and protocols. We highlight concurrent treatment goals with potentially conflicting design constraints that must be resolved when formulating rational strategies for epilepsy electrotherapy: namely seizure reduction versus cognitive impairment, stimulation efficacy versus tissue safety, and mechanistic insight versus clinical pragmatism. First, treatment markers, objectives, and metrics relevant to electrical stimulation for epilepsy are discussed from a clinical perspective. Then the experimental perspective is presented, with the biophysical mechanisms and modalities of open-loop electrical stimulation, and the potential benefits of closed-loop control for epilepsy. PMID:19926525

Transesophageal NOTES--a critical analysis of relevant problems.

PubMed

Grund, Karl E; Lehmann, Thorsten G

2010-10-01

The transesophageal access route has not become a principal topic in the discussion about NOTES up to now. Analyzing the problems in this new field of surgery, however, the transesophageal route shows high relevance. Here, all possibilities, limitations, and problems of NOTES become obvious. This paper contains a critical analysis of the literature published to date (nine full papers, five abstracts). Nearly all publications represent experimental studies in living pigs. In most cases a submucosal tunnel technique is performed as access route to mediastinum, pleural cavity, and heart. Interventions and operations include simple mediastinoscopies as well as epicardial operations after exposition of the heart. For access and manipulation, conventional flexible endoscopes and instruments are used. Clips, T-bars, or a combination of both achieve the closure. Some studies rely on spontaneous closure of the incision without any suturing or approximation. In such experimental settings, the following results are presented: Access is achieved in 90% of cases, the aim of the operation is met in 92%, technical success in closure is achieved in 90%, healing of incision assessed as good in two of five studies, satisfactory in three of five studies. Mortality, ranging from 6 to 25%, and complication rates were (surprisingly) high. It has to be stressed that analyzing these papers published to date, no adequate attention is paid to basic facts and problems of general and thoracic surgery (e.g. different forms, prevention, diagnosis and therapy of pneumothorax or differentiated forms of ventilation). Relevant differences in the anatomy and physiology of the esophagus and mediastinum between humans and pigs should additionally be taken into account to choose optimal experimental parameters when transferring results to human settings. Moreover, requirements regarding sterility and hygiene in a structure like the mediastinum, which is at high risk from the point of view of infection biology, have not yet been respected. These factors should be taken into account in further studies--as well as clinically relevant disease patterns in humans--to be able to realize possible advantages of this NOTES access in a clinical setting.

Elementary Reactions and Their Role in Gas-Phase Prebiotic Chemistry

PubMed Central

Balucani, Nadia

2009-01-01

The formation of complex organic molecules in a reactor filled with gaseous mixtures possibly reproducing the primitive terrestrial atmosphere and ocean demonstrated more than 50 years ago that inorganic synthesis of prebiotic molecules is possible, provided that some form of energy is provided to the system. After that groundbreaking experiment, gas-phase prebiotic molecules have been observed in a wide variety of extraterrestrial objects (including interstellar clouds, comets and planetary atmospheres) where the physical conditions vary widely. A thorough characterization of the chemical evolution of those objects relies on a multi-disciplinary approach: 1) observations allow us to identify the molecules and their number densities as they are nowadays; 2) the chemistry which lies behind their formation starting from atoms and simple molecules is accounted for by complex reaction networks; 3) for a realistic modeling of such networks, a number of experimental parameters are needed and, therefore, the relevant molecular processes should be fully characterized in laboratory experiments. A survey of the available literature reveals, however, that much information is still lacking if it is true that only a small percentage of the elementary reactions considered in the models have been characterized in laboratory experiments. New experimental approaches to characterize the relevant elementary reactions in laboratory are presented and the implications of the results are discussed. PMID:19564951

Numerical simulations of Z-Pinch experiments to create supersonic differentially-rotating plasma flows

NASA Astrophysics Data System (ADS)

Bochi, Matteo; Ummels, Sebastiaan; Chittenden, Jeremy; Lebedev, Sergey

2011-10-01

Recently, it was proposed that a small number of plasma jets produced by lasers could be used to generate a plasma configuration relevant to some features of astrophysical accretion disc physics. We propose complementary experimental configurations which employ converging flows generated in a cylindrical wire array Z-pinch modified to produce a rotating plasma. In this paper we present 3D MHD simulations using the code GORGON which show how this approach can be implemented at the MAGPIE facility at Imperial College, London. We will present the general scenario and the results of a parametric study relating the parameters of the array with the features of the resulting plasma. In particular, we will show how a rotating plasma cylinder or ring, with typical rotation velocity 30 Km/s and Mach number 8 is formed, and how, after about 1-2 revolutions, the material of the plasma ring is ejected in a pair of thermally driven, conical outflows propagating along the rotation axis. We will discuss to what aspects of the physics of accretion discs, the results of such experiments could be relevant. We will also consider the effects of different magnetic configurations, which further expand the possibility to relate the experiments with the astrophysical discs. Experimental implementation of some of these setups is currently in progress on MAGPIE.

Long term corrosion on T91 and AISI1 316L steel in flowing lead alloy and corrosion protection barrier development: Experiments and models

NASA Astrophysics Data System (ADS)

Weisenburger, A.; Schroer, C.; Jianu, A.; Heinzel, A.; Konys, J.; Steiner, H.; Müller, G.; Fazio, C.; Gessi, A.; Babayan, S.; Kobzova, A.; Martinelli, L.; Ginestar, K.; Balbaud-Célerier, F.; Martín-Muñoz, F. J.; Soler Crespo, L.

2011-08-01

Considering the status of knowledge on corrosion and corrosion protection and especially the need for long term compatibility data of structural materials in HLM a set of experiments to generate reliable long term data was defined and performed. The long term corrosion behaviour of the two structural materials foreseen in ADS, 316L and T91, was investigated in the design relevant temperature field, i.e. from 300 to 550 °C. The operational window of the two steels in this temperature range was identified and all oxidation data were used to develop and validate the models of oxide scale growth in PbBi. A mechanistic model capable to predict the oxidation rate applying some experimentally fitted parameters has been developed. This model assumes parabolic oxidation and might be used for design and safety relevant investigations in future. Studies on corrosion barrier development allowed to define the required Al content for the formation of thin alumina scales in LBE. These results as well as future steps and required improvements are discussed. Variation of experimental conditions clearly showed that specific care has to be taken with respect to local flow conditions and oxygen concentrations.

Toxicity challenges in environmental chemicals: Prediction of ...

EPA Pesticide Factsheets

Physiologically based pharmacokinetic (PBPK) models bridge the gap between in vitro assays and in vivo effects by accounting for the adsorption, distribution, metabolism, and excretion of xenobiotics, which is especially useful in the assessment of human toxicity. Quantitative structure-activity relationships (QSAR) serve as a vital tool for the high-throughput prediction of chemical-specific PBPK parameters, such as the fraction of a chemical unbound by plasma protein (Fub). The presented work explores the merit of utilizing experimental pharmaceutical Fub data for the construction of a universal QSAR model, in order to compensate for the limited range of high-quality experimental Fub data for environmentally relevant chemicals, such as pollutants, pesticides, and consumer products. Independent QSAR models were constructed with three machine-learning algorithms, k nearest neighbors (kNN), random forest (RF), and support vector machine (SVM) regression, from a large pharmaceutical training set (~1000) and assessed with independent test sets of pharmaceuticals (~200) and environmentally relevant chemicals in the ToxCast program (~400). Small descriptor sets yielded the optimal balance of model complexity and performance, providing insight into the biochemical factors of plasma protein binding, while preventing over fitting to the training set. Overlaps in chemical space between pharmaceutical and environmental compounds were considered through applicability of do

The mechanical response of talin

NASA Astrophysics Data System (ADS)

Yao, Mingxi; Goult, Benjamin T.; Klapholz, Benjamin; Hu, Xian; Toseland, Christopher P.; Guo, Yingjian; Cong, Peiwen; Sheetz, Michael P.; Yan, Jie

2016-07-01

Talin, a force-bearing cytoplasmic adapter essential for integrin-mediated cell adhesion, links the actin cytoskeleton to integrin-based cell-extracellular matrix adhesions at the plasma membrane. Its C-terminal rod domain, which contains 13 helical bundles, plays important roles in mechanosensing during cell adhesion and spreading. However, how the structural stability and transition kinetics of the 13 helical bundles of talin are utilized in the diverse talin-dependent mechanosensing processes remains poorly understood. Here we report the force-dependent unfolding and refolding kinetics of all talin rod domains. Using experimentally determined kinetics parameters, we determined the dynamics of force fluctuation during stretching of talin under physiologically relevant pulling speeds and experimentally measured extension fluctuation trajectories. Our results reveal that force-dependent stochastic unfolding and refolding of talin rod domains make talin a very effective force buffer that sets a physiological force range of only a few pNs in the talin-mediated force transmission pathway.

Taking Ockham's razor to enzyme dynamics and catalysis.

PubMed

Glowacki, David R; Harvey, Jeremy N; Mulholland, Adrian J

2012-01-29

The role of protein dynamics in enzyme catalysis is a matter of intense current debate. Enzyme-catalysed reactions that involve significant quantum tunnelling can give rise to experimental kinetic isotope effects with complex temperature dependences, and it has been suggested that standard statistical rate theories, such as transition-state theory, are inadequate for their explanation. Here we introduce aspects of transition-state theory relevant to the study of enzyme reactivity, taking cues from chemical kinetics and dynamics studies of small molecules in the gas phase and in solution--where breakdowns of statistical theories have received significant attention and their origins are relatively better understood. We discuss recent theoretical approaches to understanding enzyme activity and then show how experimental observations for a number of enzymes may be reproduced using a transition-state-theory framework with physically reasonable parameters. Essential to this simple model is the inclusion of multiple conformations with different reactivity.

Effects of internal friction on contact formation dynamics of polymer chain

NASA Astrophysics Data System (ADS)

Bian, Yukun; Li, Peng; Zhao, Nanrong

2018-04-01

A theoretical framework is presented to study the contact formation dynamics of polymer chains, in accompany with an electron-transfer quenching. Based on a non-Markovian Smoluchowski equation supplemented with an exponential sink term, we derive the mean time of contact formation under Wilemski-Fixman approximation. Our particular attentions are paid to the effect of internal friction. We find out that internal friction induces a novel fractional viscosity dependence, which will become more remarkable as internal friction increases. Furthermore, we clarify that internal friction inevitably promotes a diffusion-controlled mechanism by slowing the chain relaxation. Finally, we apply our theory to rationalise the experimental investigation for contact formation of a single-stranded DNA. The theoretical results can reproduce the experimental data very well with quite reasonable estimation for the intrinsic parameters. Such good agreements clearly demonstrate the validity of our theory which has appropriately addressed the very role of internal friction to the relevant dynamics.

Numerical simulation of an oxygen-fed wire-to-cylinder negative corona discharge in the glow regime

NASA Astrophysics Data System (ADS)

Yanallah, K.; Pontiga, F.; Castellanos, A.

2011-02-01

Negative glow corona discharge in flowing oxygen has been numerically simulated for a wire-to-cylinder electrode geometry. The corona discharge is modelled using a fluid approximation. The radial and axial distributions of charged and neutral species are obtained by solving the corresponding continuity equations, which include the relevant plasma-chemical kinetics. Continuity equations are coupled with Poisson's equation and the energy conservation equation, since the reaction rate constants may depend on the electric field and temperature. The experimental values of the current-voltage characteristic are used as input data into the numerical calculations. The role played by different reactions and chemical species is analysed, and the effect of electrical and geometrical parameters on ozone generation is investigated. The reliability of the numerical model is verified by the reasonable agreement between the numerical predictions of ozone concentration and the experimental measurements.

Simulation of ceramic materials relevant for nuclear waste management: Case of La1-xEuxPO4 solid solution

NASA Astrophysics Data System (ADS)

Kowalski, Piotr M.; Ji, Yaqi; Li, Yan; Arinicheva, Yulia; Beridze, George; Neumeier, Stefan; Bukaemskiy, Andrey; Bosbach, Dirk

2017-02-01

Using powerful computational resources and state-of-the-art methods of computational chemistry we contribute to the research on novel nuclear waste forms by providing atomic scale description of processes that govern the structural incorporation and the interactions of radionuclides in host materials. Here we present various results of combined computational and experimental studies on La1-xEuxPO4 monazite-type solid solution. We discuss the performance of DFT + U method with the Hubbard U parameter value derived ab initio, and the derivation of various structural, thermodynamic and radiation-damage related properties. We show a correlation between the cation displacement probabilities and the solubility data, indicating that the binding of cations is the driving factor behind both processes. The combined atomistic modeling and experimental studies result in a superior characterization of the investigated material.

Experimental study of an adaptive elastic metamaterial controlled by electric circuits

NASA Astrophysics Data System (ADS)

Zhu, R.; Chen, Y. Y.; Barnhart, M. V.; Hu, G. K.; Sun, C. T.; Huang, G. L.

2016-01-01

The ability to control elastic wave propagation at a deep subwavelength scale makes locally resonant elastic metamaterials very relevant. A number of abilities have been demonstrated such as frequency filtering, wave guiding, and negative refraction. Unfortunately, few metamaterials develop into practical devices due to their lack of tunability for specific frequencies. With the help of multi-physics numerical modeling, experimental validation of an adaptive elastic metamaterial integrated with shunted piezoelectric patches has been performed in a deep subwavelength scale. The tunable bandgap capacity, as high as 45%, is physically realized by using both hardening and softening shunted circuits. It is also demonstrated that the effective mass density of the metamaterial can be fully tailored by adjusting parameters of the shunted electric circuits. Finally, to illustrate a practical application, transient wave propagation tests of the adaptive metamaterial subjected to impact loads are conducted to validate their tunable wave mitigation abilities in real-time.

Effect of corrosion on the buckling capacity of tubular members

NASA Astrophysics Data System (ADS)

Øyasæter, F. H.; Aeran, A.; Siriwardane, S. C.; Mikkelsen, O.

2017-12-01

Offshore installations are subjected to harsh marine environment and often have damages from corrosion. Several experimental and numerical studies were performed in the past to estimate buckling capacity of corroded tubular members. However, these studies were either based on limited experimental tests or numerical analyses of few cases resulting in semi-empirical relations. Also, there are no guidelines and recommendations in the currently available design standards. To fulfil this research gap, a new formula is proposed to estimate the residual strength of tubular members considering corrosion and initial geometrical imperfections. The proposed formula is verified with results from finite element analyses performed on several members and for varying corrosion patch parameters. The members are selected to represent the most relevant Eurocode buckling curve for tubular members. It is concluded that corrosion reduces the buckling capacity significantly and the proposed formula can be easily applied by practicing engineers without performing detailed numerical analyses.

Overview and recent progress of the Magnetized Shock Experiment (MSX)

NASA Astrophysics Data System (ADS)

Weber, T. E.; Intrator, T. P.; Smith, R. J.; Hutchinson, T. M.; Boguski, J. C.; Sears, J. A.; Swan, H. O.; Gao, K. W.; Chapdelaine, L. J.; Winske, D.; Dunn, J. P.

2013-10-01

The Magnetized Shock Experiment (MSX) has been constructed to study the physics of super-Alfvènic, supercritical, magnetized shocks. Exhibiting transitional length and time scales much smaller than can be produced through collisional processes, these shocks are observed to create non-thermal distributions, amplify magnetic fields, and accelerate particles to relativistic velocities. Shocks are produced through the acceleration and subsequent stagnation of Field Reversed Configuration (FRC) plasmoids against a high-flux magnetic mirror with a conducting boundary or a plasma target with embedded field. Adjustable shock velocity, density, and magnetic geometry (B parallel, perpendicular, or oblique to k) provide unique access to a wide range of dimensionless parameters relevant to astrophysical shocks. Information regarding the experimental configuration, diagnostics suite, recent simulations, experimental results, and physics goals will be presented. This work is supported by DOE OFES and NNSA under LANS contract DE-AC52-06NA25369 Approved for Public Release: LA-UR-13-24859.

Water permeability in hydrate-bearing sediments: A pore-scale study

NASA Astrophysics Data System (ADS)

Dai, Sheng; Seol, Yongkoo

2014-06-01

Permeability is a critical parameter governing methane flux and fluid flow in hydrate-bearing sediments; however, limited valid data are available due to experimental challenges. Here we investigate the relationship between apparent water permeability (k') and hydrate saturation (Sh), accounting for hydrate pore-scale growth habit and meso-scale heterogeneity. Results from capillary tube models rely on cross-sectional tube shapes and hydrate pore habits, thus are appropriate only for sediments with uniform hydrate distribution and known hydrate pore character. Given our pore network modeling results showing that accumulating hydrate in sediments decreases sediment porosity and increases hydraulic tortuosity, we propose a modified Kozeny-Carman model to characterize water permeability in hydrate-bearing sediments. This model agrees well with experimental results and can be easily implemented in reservoir simulators with no empirical variables other than Sh. Results are also relevant to flow through other natural sediments that undergo diagenesis, salt precipitation, or bio-clogging.

Rapid Solidification in Bulk Ti-Nb Alloys by Single-Track Laser Melting

NASA Astrophysics Data System (ADS)

Roehling, John D.; Perron, Aurélien; Fattebert, Jean-Luc; Haxhimali, Tomorr; Guss, Gabe; Li, Tian T.; Bober, David; Stokes, Adam W.; Clarke, Amy J.; Turchi, Patrice E. A.; Matthews, Manyalibo J.; McKeown, Joseph T.

2018-05-01

Single-track laser melting experiments were performed on bulk Ti-Nb alloys to explore process parameters and the resultant macroscopic structure and microstructure. The microstructures in Ti-20Nb and Ti-50Nb (at.%) alloys exhibited cellular growth during rapid solidification, with average cell size of approximately 0.5 µm. Solidification velocities during cellular growth were calculated from images of melt tracks. Measurements of the composition in the cellular and intercellular regions revealed nonequilibrium partitioning and its dependence on velocity during rapid solidification. Experimental results were used to benchmark a phase-field model to describe rapid solidification under conditions relevant to additive manufacturing.

Pump-probe Kelvin-probe force microscopy: Principle of operation and resolution limits

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

Murawski, J.; Graupner, T.; Milde, P., E-mail: peter.milde@tu-dresden.de

Knowledge on surface potential dynamics is crucial for understanding the performance of modern-type nanoscale devices. We describe an electrical pump-probe approach in Kelvin-probe force microscopy that enables a quantitative measurement of dynamic surface potentials at nanosecond-time and nanometer-length scales. Also, we investigate the performance of pump-probe Kelvin-probe force microscopy with respect to the relevant experimental parameters. We exemplify a measurement on an organic field effect transistor that verifies the undisturbed functionality of our pump-probe approach in terms of simultaneous and quantitative mapping of topographic and electronic information at a high lateral and temporal resolution.

Fluid/Solid Boundary Conditions in Non-Isothermal Systems

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.

1999-01-01

The existing theoretical research concerned with thermal creep at fluid/solid interfaces is briefly reviewed, and the importance of microgravity-based experimental data is then discussed. It is noted that the ultimate goal of this research is a rational molecular level theory that predicts the dependence of a dimensionless thermal creep coefficient, Ctc, on relevant dimensionless parameters describing the way fluid molecules interact with the solid surface and how they interact among themselves. The discussion covers thermophoresis of isolated solid spheres and aggregates in gases; solid sphere thermophoresis in liquids and dense vapors; thermophoresis of small immiscible liquid droplets; and applications of the direct simulation Monte Carlo method.

Vapor-liquid equilibria for hydrogen fluoride + 1,1-difluoroethane at 288.23 and 298.35 K

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

Lee, J.; Kim, H.; Lim, J.S.

1997-07-01

Isothermal vapor-liquid equilibria for hydrogen fluoride + 1,1-difluoroethane at 288.23 and 298.35 K were measured using a circulation type apparatus equipped with an equilibrium view cell. The compositions of both vapor and liquid phases were analyzed by an on-line gas chromatographic method. They were compared with PTx equilibrium data measured by the total pressure method. The experimental data were correlated with Anderko`s equation of state using the Wong-Sandler mixing rule as well as the van der Waals one-fluid mixing rule. The Wong-Sandler mixing rule gives better results, and the relevant parameters are presented.

FPGA-based fused smart-sensor for tool-wear area quantitative estimation in CNC machine inserts.

PubMed

Trejo-Hernandez, Miguel; Osornio-Rios, Roque Alfredo; de Jesus Romero-Troncoso, Rene; Rodriguez-Donate, Carlos; Dominguez-Gonzalez, Aurelio; Herrera-Ruiz, Gilberto

2010-01-01

Manufacturing processes are of great relevance nowadays, when there is a constant claim for better productivity with high quality at low cost. The contribution of this work is the development of a fused smart-sensor, based on FPGA to improve the online quantitative estimation of flank-wear area in CNC machine inserts from the information provided by two primary sensors: the monitoring current output of a servoamplifier, and a 3-axis accelerometer. Results from experimentation show that the fusion of both parameters makes it possible to obtain three times better accuracy when compared with the accuracy obtained from current and vibration signals, individually used.

CPU time optimization and precise adjustment of the Geant4 physics parameters for a VARIAN 2100 C/D gamma radiotherapy linear accelerator simulation using GAMOS.

PubMed

Arce, Pedro; Lagares, Juan Ignacio

2018-01-25

We have verified the GAMOS/Geant4 simulation model of a 6 MV VARIAN Clinac 2100 C/D linear accelerator by the procedure of adjusting the initial beam parameters to fit the percentage depth dose and cross-profile dose experimental data at different depths in a water phantom. Thanks to the use of a wide range of field sizes, from 2  ×  2 cm 2 to 40  ×  40 cm 2 , a small phantom voxel size and high statistics, fine precision in the determination of the beam parameters has been achieved. This precision has allowed us to make a thorough study of the different physics models and parameters that Geant4 offers. The three Geant4 electromagnetic physics sets of models, i.e. Standard, Livermore and Penelope, have been compared to the experiment, testing the four different models of angular bremsstrahlung distributions as well as the three available multiple-scattering models, and optimizing the most relevant Geant4 electromagnetic physics parameters. Before the fitting, a comprehensive CPU time optimization has been done, using several of the Geant4 efficiency improvement techniques plus a few more developed in GAMOS.

Influences of surface charge, size, and concentration of colloidal nanoparticles on fabrication of self-organized porous silica in film and particle forms.

PubMed

Nandiyanto, Asep Bayu Dani; Suhendi, Asep; Arutanti, Osi; Ogi, Takashi; Okuyama, Kikuo

2013-05-28

Studies on preparation of porous material have attracted tremendous attention because existence of pores can provide material with excellent performances. However, current preparation reports described successful production of porous material with only partial information on charges, interactions, sizes, and compositions of the template and host materials. In this report, influences of self-assembly parameters (i.e., surface charge, size, and concentration of colloidal nanoparticles) on self-organized porous material fabrication were investigated. Silica nanoparticles (as a host material) and polystyrene (PS) spheres (as a template) were combined to produce self-assembly porous materials in film and particle forms. The experimental results showed that the porous structure and pore size were controllable and strongly depended on the self-assembly parameters. Materials containing highly ordered pores were effectively created only when process parameters fall within appropriate conditions (i.e., PS surface charge ≤ -30 mV; silica-to-PS size ratio ≤0.078; and silica-to-PS mass ratio of about 0.50). The investigation of the self-assembly parameter landscape was also completed using geometric considerations. Because optimization of these parameters provides significant information in regard to practical uses, results of this report could be relevant to other functional properties.

Beneficial effects of mangiferin isolated from Salacia chinensis on biochemical and hematological parameters in rats with streptozotocin-induced diabetes.

PubMed

Sellamuthu, Periyar Selvam; Arulselvan, Palanisamy; Fakurazi, Sharida; Kandasamy, Murugesan

2014-01-01

Salacia chinensis L. is a traditional Southeast Asian herbal medicine and used in the treatment of diabetes. To investigate the antidiabetic properties of mangiferin from Salacia chinensis and its beneficial effect on toxicological and hematological parameters in streptozotocin induced diabetic rats. Mangiferin was orally treated with the dose of 40 mg/kg body weight/day for 30 days to diabetic rats. Biochemical (blood glucose, uric acid, urea and creatinine), toxicological (AST, ALT and ALP) and hematological parameters (red and white blood cells) and their functional indices were evaluated in diabetic treated groups with mangiferin and glibenclamide. Mangiferin treated diabetic rats significantly (p<0.05) lowered the level of blood glucose, in addition, altered the levels of biochemical parameters including urea, uric acid, and creatinine. Toxicological parameters including AST, ALT and ALP were also significantly reduced after treatment with mangiferin in diabetic rats. Similarly, the levels of red blood, white blood cells and their functional indices were significantly improved through the administration of mangiferin. Thus, our results indicate that mangiferin present in S. chinensis possesses antidiabetic properties and nontoxic nature against chemically induced diabetic rats. Further experimental investigations are warrant to make use of its relevant therapeutic effect to substantiate its ethno-medicinal usage.

Analysis on pseudo excitation of random vibration for structure of time flight counter

NASA Astrophysics Data System (ADS)

Wu, Qiong; Li, Dapeng

2015-03-01

Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

Model Parameter Variability for Enhanced Anaerobic Bioremediation of DNAPL Source Zones

NASA Astrophysics Data System (ADS)

Mao, X.; Gerhard, J. I.; Barry, D. A.

2005-12-01

The objective of the Source Area Bioremediation (SABRE) project, an international collaboration of twelve companies, two government agencies and three research institutions, is to evaluate the performance of enhanced anaerobic bioremediation for the treatment of chlorinated ethene source areas containing dense, non-aqueous phase liquids (DNAPL). This 4-year, 5.7 million dollars research effort focuses on a pilot-scale demonstration of enhanced bioremediation at a trichloroethene (TCE) DNAPL field site in the United Kingdom, and includes a significant program of laboratory and modelling studies. Prior to field implementation, a large-scale, multi-laboratory microcosm study was performed to determine the optimal system properties to support dehalogenation of TCE in site soil and groundwater. This statistically-based suite of experiments measured the influence of key variables (electron donor, nutrient addition, bioaugmentation, TCE concentration and sulphate concentration) in promoting the reductive dechlorination of TCE to ethene. As well, a comprehensive biogeochemical numerical model was developed for simulating the anaerobic dehalogenation of chlorinated ethenes. An appropriate (reduced) version of this model was combined with a parameter estimation method based on fitting of the experimental results. Each of over 150 individual microcosm calibrations involved matching predicted and observed time-varying concentrations of all chlorinated compounds. This study focuses on an analysis of this suite of fitted model parameter values. This includes determining the statistical correlation between parameters typically employed in standard Michaelis-Menten type rate descriptions (e.g., maximum dechlorination rates, half-saturation constants) and the key experimental variables. The analysis provides insight into the degree to which aqueous phase TCE and cis-DCE inhibit dechlorination of less-chlorinated compounds. Overall, this work provides a database of the numerical modelling parameters typically employed for simulating TCE dechlorination relevant for a range of system conditions (e.g, bioaugmented, high TCE concentrations, etc.). The significance of the obtained variability of parameters is illustrated with one-dimensional simulations of enhanced anaerobic bioremediation of residual TCE DNAPL.

An Experimental Investigation of Unsteady Thrust Augmentation Using a Speaker-Driven Jet

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Wernet, Mark P.; John, Wentworth T.

2004-01-01

An experimental investigation is described in which a simple speaker-driven jet was used as a pulsed thrust source (driver) for an ejector configuration. The objectives of the investigation were twofold: first, to add to the experimental body of evidence showing that an unsteady thrust source, combined with a properly sized ejector generally yields higher thrust augmentation values than a similarly sized, steady driver of equivalent thrust. Second, to identify characteristics of the unsteady driver that may be useful for sizing ejectors, and predicting what thrust augmentation values may be achieved. The speaker-driven jet provided a convenient source for the investigation because it is entirely unsteady (having no mean component) and because relevant parameters such as frequency, time-averaged thrust, and diameter are easily variable. The experimental setup will be described, as will the various measurements made. These include both thrust and Digital Particle Imaging Velocimetry of the driver. It will be shown that thrust augmentation values as high as 1.8 were obtained, that the diameter of the best ejector scaled with the dimensions of the emitted vortex, and that the so-called Formation Number serves as a useful dimensionless number by which to characterize the jet and predict performance.

Favorable results from the use of herbal and plant products in inflammatory bowel disease: evidence from experimental animal studies

PubMed Central

Triantafillidis, John K.; Triantafyllidi, Aikaterini; Vagianos, Constantinos; Papalois, Apostolos

2016-01-01

The use of herbal therapy for inflammatory bowel disease is increasing worldwide. The aim of this study was to review the available literature on the efficacy of herbal therapy in experimental colitis. All relevant studies published in Medline and Embase up to June 2015 have been reviewed. The results of bowel histology and serum parameters have been recorded. A satisfactory number of published experimental studies, and a quite large one of both herbal and plant products tested in different studies have been reported. The results showed that in the majority of the studies, herbal therapy reduced the inflammatory activity of experimental colitis and diminished the levels of many inflammatory indices, including serum cytokines and indices of oxidative stress. The most promising plant and herbal products were tormentil extracts, wormwoodherb, Aloe vera, germinated barley foodstuff, curcumin, Boswellia serrata, Panax notoginseng, Ixeris dentata, green tea, Cordia dichotoma, Plantago lanceolata, Iridoidglycosides, and mastic gum. Herbal therapies exert their therapeutic benefit via various mechanisms, including immune regulation, anti-oxidant activity, inhibition of leukotriene B4 and nuclear factor-κB, and antiplatelet activity. Large, double-blind clinical studies assessing these natural substances should be urgently conducted. PMID:27366027

Experimental Verification of the Individual Energy Dependencies of the Partial L-Shell Photoionization Cross Sections of Pd and Mo

NASA Astrophysics Data System (ADS)

Hönicke, Philipp; Kolbe, Michael; Müller, Matthias; Mantler, Michael; Krämer, Markus; Beckhoff, Burkhard

2014-10-01

An experimental method for the verification of the individually different energy dependencies of L1-, L2-, and L3- subshell photoionization cross sections is described. The results obtained for Pd and Mo are well in line with theory regarding both energy dependency and absolute values, and confirm the theoretically calculated cross sections by Scofield from the early 1970 s and, partially, more recent data by Trzhaskovskaya, Nefedov, and Yarzhemsky. The data also demonstrate the questionability of quantitative x-ray spectroscopical results based on the widely used fixed jump ratio approximated cross sections with energy independent ratios. The experiments are carried out by employing the radiometrically calibrated instrumentation of the Physikalisch-Technische Bundesanstalt at the electron storage ring BESSY II in Berlin; the obtained fluorescent intensities are thereby calibrated at an absolute level in reference to the International System of Units. Experimentally determined fixed fluorescence line ratios for each subshell are used for a reliable deconvolution of overlapping fluorescence lines. The relevant fundamental parameters of Mo and Pd are also determined experimentally in order to calculate the subshell photoionization cross sections independently of any database.

Normalized sensitivities and parameter identifiability of in situ diffusion experiments on Callovo Oxfordian clay at Bure site

NASA Astrophysics Data System (ADS)

Samper, J.; Dewonck, S.; Zheng, L.; Yang, Q.; Naves, A.

Diffusion of inert and reactive tracers (DIR) is an experimental program performed by ANDRA at Bure underground research laboratory in Meuse/Haute Marne (France) to characterize diffusion and retention of radionuclides in Callovo-Oxfordian (C-Ox) argillite. In situ diffusion experiments were performed in vertical boreholes to determine diffusion and retention parameters of selected radionuclides. C-Ox clay exhibits a mild diffusion anisotropy due to stratification. Interpretation of in situ diffusion experiments is complicated by several non-ideal effects caused by the presence of a sintered filter, a gap between the filter and borehole wall and an excavation disturbed zone (EdZ). The relevance of such non-ideal effects and their impact on estimated clay parameters have been evaluated with numerical sensitivity analyses and synthetic experiments having similar parameters and geometric characteristics as real DIR experiments. Normalized dimensionless sensitivities of tracer concentrations at the test interval have been computed numerically. Tracer concentrations are found to be sensitive to all key parameters. Sensitivities are tracer dependent and vary with time. These sensitivities are useful to identify which are the parameters that can be estimated with less uncertainty and find the times at which tracer concentrations begin to be sensitive to each parameter. Synthetic experiments generated with prescribed known parameters have been interpreted automatically with INVERSE-CORE 2D and used to evaluate the relevance of non-ideal effects and ascertain parameter identifiability in the presence of random measurement errors. Identifiability analysis of synthetic experiments reveals that data noise makes difficult the estimation of clay parameters. Parameters of clay and EdZ cannot be estimated simultaneously from noisy data. Models without an EdZ fail to reproduce synthetic data. Proper interpretation of in situ diffusion experiments requires accounting for filter, gap and EdZ. Estimates of the effective diffusion coefficient and the porosity of clay are highly correlated, indicating that these parameters cannot be estimated simultaneously. Accurate estimation of De and porosities of clay and EdZ is only possible when the standard deviation of random noise is less than 0.01. Small errors in the volume of the circulation system do not affect clay parameter estimates. Normalized sensitivities as well as the identifiability analysis of synthetic experiments provide additional insight on inverse estimation of in situ diffusion experiments and will be of great benefit for the interpretation of real DIR in situ diffusion experiments.

Functional dependence of resonant harmonics on nanomechanical parameters in dynamic mode atomic force microscopy.

PubMed

Gramazio, Federico; Lorenzoni, Matteo; Pérez-Murano, Francesc; Rull Trinidad, Enrique; Staufer, Urs; Fraxedas, Jordi

2017-01-01

We present a combined theoretical and experimental study of the dependence of resonant higher harmonics of rectangular cantilevers of an atomic force microscope (AFM) as a function of relevant parameters such as the cantilever force constant, tip radius and free oscillation amplitude as well as the stiffness of the sample's surface. The simulations reveal a universal functional dependence of the amplitude of the 6th harmonic (in resonance with the 2nd flexural mode) on these parameters, which can be expressed in terms of a gun-shaped function. This analytical expression can be regarded as a practical tool for extracting qualitative information from AFM measurements and it can be extended to any resonant harmonics. The experiments confirm the predicted dependence in the explored 3-45 N/m force constant range and 2-345 GPa sample's stiffness range. For force constants around 25 N/m, the amplitude of the 6th harmonic exhibits the largest sensitivity for ultrasharp tips (tip radius below 10 nm) and polymers (Young's modulus below 20 GPa).

The solution of private problems for optimization heat exchangers parameters

NASA Astrophysics Data System (ADS)

Melekhin, A.

2017-11-01

The relevance of the topic due to the decision of problems of the economy of resources in heating systems of buildings. To solve this problem we have developed an integrated method of research which allows solving tasks on optimization of parameters of heat exchangers. This method decides multicriteria optimization problem with the program nonlinear optimization on the basis of software with the introduction of an array of temperatures obtained using thermography. The author have developed a mathematical model of process of heat exchange in heat exchange surfaces of apparatuses with the solution of multicriteria optimization problem and check its adequacy to the experimental stand in the visualization of thermal fields, an optimal range of managed parameters influencing the process of heat exchange with minimal metal consumption and the maximum heat output fin heat exchanger, the regularities of heat exchange process with getting generalizing dependencies distribution of temperature on the heat-release surface of the heat exchanger vehicles, defined convergence of the results of research in the calculation on the basis of theoretical dependencies and solving mathematical model.

Application of a constant hole volume Sanchez-Lacombe equation of state to mixtures relevant to polymeric foaming.

PubMed

von Konigslow, Kier; Park, Chul B; Thompson, Russell B

2018-06-06

A variant of the Sanchez-Lacombe equation of state is applied to several polymers, blowing agents, and saturated mixtures of interest to the polymer foaming industry. These are low-density polyethylene-carbon dioxide and polylactide-carbon dioxide saturated mixtures as well as polystyrene-carbon dioxide-dimethyl ether and polystyrene-carbon dioxide-nitrogen ternary saturated mixtures. Good agreement is achieved between theoretically predicted and experimentally determined solubilities, both for binary and ternary mixtures. Acceptable agreement with swelling ratios is found with no free parameters. Up-to-date pure component Sanchez-Lacombe characteristic parameters are provided for carbon dioxide, dimethyl ether, low-density polyethylene, nitrogen, polylactide, linear and branched polypropylene, and polystyrene. Pure fluid low-density polyethylene and nitrogen parameters exhibit more moderate success while still providing acceptable quantitative estimations. Mixture estimations are found to have more moderate success where pure components are not as well represented. The Sanchez-Lacombe equation of state is found to correctly predict the anomalous reversal of solubility temperature dependence for low critical point fluids through the observation of this behaviour in polystyrene nitrogen mixtures.

Thermomechanical Simulation of the Splashing of Ceramic Droplets on a Rigid Substrate

NASA Astrophysics Data System (ADS)

Bertagnolli, Mauro; Marchese, Maurizio; Jacucci, Gianni; St. Doltsinis, Ioannis; Noelting, Swen

1997-05-01

Finite element simulation techniques have been applied to the spreading process of single ceramic liquid droplets impacting on a flat cold surface under plasma-spraying conditions. The goal of the present investigation is to predict the geometrical form of the splat as a function of technological process parameters, such as initial temperature and velocity, and to follow the thermal field developing in the droplet up to solidification. A non-linear finite element programming system has been utilized in order to model the complex physical phenomena involved in the present impact process. The Lagrangean description of the motion of the viscous melt in the drops, as constrained by surface tension and the developing contact with the target, has been coupled to an analysis of transient thermal phenomena accounting also for the solidification of the material. The present study refers to a parameter spectrum as from experimental data of technological relevance. The significance of process parameters for the most pronounced physical phenomena is discussed as are also the consequences of modelling. We consider the issue of solidification as well and touch on the effect of partially unmelted material.

A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation

NASA Astrophysics Data System (ADS)

Saez, David Adrian; Vöhringer-Martinez, Esteban

2015-10-01

S-Adenosylmethionine (AdoMet) is involved in many biological processes as cofactor in enzymes transferring its sulfonium methyl group to various substrates. Additionally, it is used as drug and nutritional supplement to reduce the pain in osteoarthritis and against depression. Due to the biological relevance of AdoMet it has been part of various computational simulation studies and will also be in the future. However, to our knowledge no rigorous force field parameter development for its simulation in biological systems has been reported. Here, we use electronic structure calculations combined with molecular dynamics simulations in explicit solvent to develop force field parameters compatible with the AMBER99 force field. Additionally, we propose new dynamic Hirshfeld-I atomic charges which are derived from the polarized electron density of AdoMet in aqueous solution to describe its electrostatic interactions in biological systems. The validation of the force field parameters and the atomic charges is performed against experimental interproton NOE distances of AdoMet in aqueous solution and crystal structures of AdoMet in the cavity of three representative proteins.

Entanglement-Assisted Weak Value Amplification

NASA Astrophysics Data System (ADS)

Pang, Shengshi; Dressel, Justin; Brun, Todd A.

2014-07-01

Large weak values have been used to amplify the sensitivity of a linear response signal for detecting changes in a small parameter, which has also enabled a simple method for precise parameter estimation. However, producing a large weak value requires a low postselection probability for an ancilla degree of freedom, which limits the utility of the technique. We propose an improvement to this method that uses entanglement to increase the efficiency. We show that by entangling and postselecting n ancillas, the postselection probability can be increased by a factor of n while keeping the weak value fixed (compared to n uncorrelated attempts with one ancilla), which is the optimal scaling with n that is expected from quantum metrology. Furthermore, we show the surprising result that the quantum Fisher information about the detected parameter can be almost entirely preserved in the postselected state, which allows the sensitive estimation to approximately saturate the relevant quantum Cramér-Rao bound. To illustrate this protocol we provide simple quantum circuits that can be implemented using current experimental realizations of three entangled qubits.

Investigation of Polarization Phase Difference Related to Forest Fields Characterizations

NASA Astrophysics Data System (ADS)

Majidi, M.; Maghsoudi, Y.

2013-09-01

The information content of Synthetic Aperture Radar (SAR) data significantly included in the radiometric polarization channels, hence polarimetric SAR data should be analyzed in relation with target structure. The importance of the phase difference between two co-polarized scattered signals due to the possible association between the biophysical parameters and the measured Polarization Phase Difference (PPD) statistics of the backscattered signal recorded components has been recognized in geophysical remote sensing. This paper examines two Radarsat-2 images statistics of the phase difference to describe the feasibility of relationship with the physical properties of scattering targets and tries to understand relevance of PPD statistics with various types of forest fields. As well as variation of incidence angle due to affecting on PPD statistics is investigated. The experimental forest pieces that are used in this research are characterized white pine (Pinus strobus L.), red pine (Pinus resinosa Ait.), jack pine (Pinus banksiana Lamb.), white spruce (Picea glauca (Moench Voss), black spruce (Picea mariana (Mill) B.S.P.), poplar (Populus L.), red oak (Quercus rubra L.) , aspen and ground vegetation. The experimental results show that despite of biophysical parameters have a wide diversity, PPD statistics are almost the same. Forest fields distributions as distributed targets have close to zero means regardless of the incidence angle. Also, The PPD distribution are function of both target and sensor parameters, but for more appropriate examination related to PPD statistics the observations should made in the leaf-off season or in bands with lower frequencies.

Temperature and pressure correlation for volume of gas hydrates with crystal structures sI and sII

NASA Astrophysics Data System (ADS)

Vinš, Václav; Jäger, Andreas; Hielscher, Sebastian; Span, Roland; Hrubý, Jan; Breitkopf, Cornelia

The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268-281], focused on the modeling of pure gas hydrates relevant in CCS (carbon capture and storage), were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. A two-stage Levenberg Marquardt algorithm was employed for the parameter optimization. The pressure dependence described in terms of the bulk modulus remained unchanged compared to the original study. A constant value for the bulk modulus B0 = 10 GPa was employed for all selected hydrate formers. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. Compared to the original correlation used for the modeling of pure gas hydrates the new correlation provides significantly better agreement with the experimental data for sI hydrates. The results of the new correlation are comparable to the results of the old correlation in case of sII hydrates. In addition, the new correlation is suitable for modeling of mixed hydrates.

Quality Matters: Systematic Analysis of Endpoints Related to “Cellular Life” in Vitro Data of Radiofrequency Electromagnetic Field Exposure

PubMed Central

Simkó, Myrtill; Remondini, Daniel; Zeni, Olga; Scarfi, Maria Rosaria

2016-01-01

Possible hazardous effects of radiofrequency electromagnetic fields (RF-EMF) at low exposure levels are controversially discussed due to inconsistent study findings. Therefore, the main focus of the present study is to detect if any statistical association exists between RF-EMF and cellular responses, considering cell proliferation and apoptosis endpoints separately and with both combined as a group of “cellular life” to increase the statistical power of the analysis. We searched for publications regarding RF-EMF in vitro studies in the PubMed database for the period 1995–2014 and extracted the data to the relevant parameters, such as cell culture type, frequency, exposure duration, SAR, and five exposure-related quality criteria. These parameters were used for an association study with the experimental outcome in terms of the defined endpoints. We identified 104 published articles, from which 483 different experiments were extracted and analyzed. Cellular responses after exposure to RF-EMF were significantly associated to cell lines rather than to primary cells. No other experimental parameter was significantly associated with cellular responses. A highly significant negative association with exposure condition-quality and cellular responses was detected, showing that the more the quality criteria requirements were satisfied, the smaller the number of detected cellular responses. According to our knowledge, this is the first systematic analysis of specific RF-EMF bio-effects in association to exposure quality, highlighting the need for more stringent quality procedures for the exposure conditions. PMID:27420084

Overview of Icing Physics Relevant to Scaling

NASA Technical Reports Server (NTRS)

Anderson, David N.; Tsao, Jen-Ching

2005-01-01

An understanding of icing physics is required for the development of both scaling methods and ice-accretion prediction codes. This paper gives an overview of our present understanding of the important physical processes and the associated similarity parameters that determine the shape of Appendix C ice accretions. For many years it has been recognized that ice accretion processes depend on flow effects over the model, on droplet trajectories, on the rate of water collection and time of exposure, and, for glaze ice, on a heat balance. For scaling applications, equations describing these events have been based on analyses at the stagnation line of the model and have resulted in the identification of several non-dimensional similarity parameters. The parameters include the modified inertia parameter of the water drop, the accumulation parameter and the freezing fraction. Other parameters dealing with the leading edge heat balance have also been used for convenience. By equating scale expressions for these parameters to the values to be simulated a set of equations is produced which can be solved for the scale test conditions. Studies in the past few years have shown that at least one parameter in addition to those mentioned above is needed to describe surface-water effects, and some of the traditional parameters may not be as significant as once thought. Insight into the importance of each parameter, and the physical processes it represents, can be made by viewing whether ice shapes change, and the extent of the change, when each parameter is varied. Experimental evidence is presented to establish the importance of each of the traditionally used parameters and to identify the possible form of a new similarity parameter to be used for scaling.

Sensitivity analysis of the electrostatic force distance curve using Sobol’s method and design of experiments

NASA Astrophysics Data System (ADS)

Alhossen, I.; Villeneuve-Faure, C.; Baudoin, F.; Bugarin, F.; Segonds, S.

2017-01-01

Previous studies have demonstrated that the electrostatic force distance curve (EFDC) is a relevant way of probing injected charge in 3D. However, the EFDC needs a thorough investigation to be accurately analyzed and to provide information about charge localization. Interpreting the EFDC in terms of charge distribution is not straightforward from an experimental point of view. In this paper, a sensitivity analysis of the EFDC is studied using buried electrodes as a first approximation. In particular, the influence of input factors such as the electrode width, depth and applied potential are investigated. To reach this goal, the EFDC is fitted to a law described by four parameters, called logistic law, and the influence of the electrode parameters on the law parameters has been investigated. Then, two methods are applied—Sobol’s method and the factorial design of experiment—to quantify the effect of each factor on each parameter of the logistic law. Complementary results are obtained from both methods, demonstrating that the EFDC is not the result of the superposition of the contribution of each electrode parameter, but that it exhibits a strong contribution from electrode parameter interaction. Furthermore, thanks to these results, a matricial model has been developed to predict EFDCs for any combination of electrode characteristics. A good correlation is observed with the experiments, and this is promising for charge investigation using an EFDC.

Annulus fibrosus functional extrafibrillar and fibrous mechanical behaviour: experimental and computational characterisation.

PubMed

Mengoni, Marlène; Kayode, Oluwasegun; Sikora, Sebastien N F; Zapata-Cornelio, Fernando Y; Gregory, Diane E; Wilcox, Ruth K

2017-08-01

The development of current surgical treatments for intervertebral disc damage could benefit from virtual environment accounting for population variations. For such models to be reliable, a relevant description of the mechanical properties of the different tissues and their role in the functional mechanics of the disc is of major importance. The aims of this work were first to assess the physiological hoop strain in the annulus fibrosus in fresh conditions ( n  = 5) in order to extract a functional behaviour of the extrafibrillar matrix; then to reverse-engineer the annulus fibrosus fibrillar behaviour ( n  = 6). This was achieved by performing both direct and global controlled calibration of material parameters, accounting for the whole process of experimental design and in silico model methodology. Direct-controlled models are specimen-specific models representing controlled experimental conditions that can be replicated and directly comparing measurements. Validation was performed on another six specimens and a sensitivity study was performed. Hoop strains were measured as 17 ± 3% after 10 min relaxation and 21 ± 4% after 20-25 min relaxation, with no significant difference between the two measurements. The extrafibrillar matrix functional moduli were measured as 1.5 ± 0.7 MPa. Fibre-related material parameters showed large variability, with a variance above 0.28. Direct-controlled calibration and validation provides confidence that the model development methodology can capture the measurable variation within the population of tested specimens.

Annulus fibrosus functional extrafibrillar and fibrous mechanical behaviour: experimental and computational characterisation

PubMed Central

Kayode, Oluwasegun; Sikora, Sebastien N. F.; Zapata-Cornelio, Fernando Y.; Gregory, Diane E.; Wilcox, Ruth K.

2017-01-01

The development of current surgical treatments for intervertebral disc damage could benefit from virtual environment accounting for population variations. For such models to be reliable, a relevant description of the mechanical properties of the different tissues and their role in the functional mechanics of the disc is of major importance. The aims of this work were first to assess the physiological hoop strain in the annulus fibrosus in fresh conditions (n = 5) in order to extract a functional behaviour of the extrafibrillar matrix; then to reverse-engineer the annulus fibrosus fibrillar behaviour (n = 6). This was achieved by performing both direct and global controlled calibration of material parameters, accounting for the whole process of experimental design and in silico model methodology. Direct-controlled models are specimen-specific models representing controlled experimental conditions that can be replicated and directly comparing measurements. Validation was performed on another six specimens and a sensitivity study was performed. Hoop strains were measured as 17 ± 3% after 10 min relaxation and 21 ± 4% after 20–25 min relaxation, with no significant difference between the two measurements. The extrafibrillar matrix functional moduli were measured as 1.5 ± 0.7 MPa. Fibre-related material parameters showed large variability, with a variance above 0.28. Direct-controlled calibration and validation provides confidence that the model development methodology can capture the measurable variation within the population of tested specimens. PMID:28879014

Experimental analysis of the characteristics of artificial vocal folds.

PubMed

Misun, Vojtech; Svancara, Pavel; Vasek, Martin

2011-05-01

Specialized literature presents a number of models describing the function of the vocal folds. In most of those models, an emphasis is placed on the air flowing through the glottis and, further, on the effect of the parameters of the air alone (its mass, speed, and so forth). The article focuses on the constructional definition of artificial vocal folds and their experimental analysis. The analysis is conducted for voiced source voice phonation and for the changing mean value of the subglottal pressure. The article further deals with the analysis of the pressure of the airflow through the vocal folds, which is cut (separated) into individual pulses by the vibrating vocal folds. The analysis results show that air pulse characteristics are relevant to voice generation, as they are produced by the flowing air and vibrating vocal folds. A number of artificial vocal folds have been constructed to date, and the aforementioned view of their phonation is confirmed by their analysis. The experiments have confirmed that man is able to consciously affect only two parameters of the source voice, that is, its fundamental frequency and voice intensity. The main forces acting on the vocal folds during phonation are as follows: subglottal air pressure and elastic and inertia forces of the vocal folds' structure. The correctness of the function of the artificial vocal folds is documented by the experimental verification of the spectra of several types of artificial vocal folds. Copyright © 2011 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

A reduced-order, single-bubble cavitation model with applications to therapeutic ultrasound

PubMed Central

Kreider, Wayne; Crum, Lawrence A.; Bailey, Michael R.; Sapozhnikov, Oleg A.

2011-01-01

Cavitation often occurs in therapeutic applications of medical ultrasound such as shock-wave lithotripsy (SWL) and high-intensity focused ultrasound (HIFU). Because cavitation bubbles can affect an intended treatment, it is important to understand the dynamics of bubbles in this context. The relevant context includes very high acoustic pressures and frequencies as well as elevated temperatures. Relative to much of the prior research on cavitation and bubble dynamics, such conditions are unique. To address the relevant physics, a reduced-order model of a single, spherical bubble is proposed that incorporates phase change at the liquid-gas interface as well as heat and mass transport in both phases. Based on the energy lost during the inertial collapse and rebound of a millimeter-sized bubble, experimental observations were used to tune and test model predictions. In addition, benchmarks from the published literature were used to assess various aspects of model performance. Benchmark comparisons demonstrate that the model captures the basic physics of phase change and diffusive transport, while it is quantitatively sensitive to specific model assumptions and implementation details. Given its performance and numerical stability, the model can be used to explore bubble behaviors across a broad parameter space relevant to therapeutic ultrasound. PMID:22088026

A reduced-order, single-bubble cavitation model with applications to therapeutic ultrasound.

PubMed

Kreider, Wayne; Crum, Lawrence A; Bailey, Michael R; Sapozhnikov, Oleg A

2011-11-01

Cavitation often occurs in therapeutic applications of medical ultrasound such as shock-wave lithotripsy (SWL) and high-intensity focused ultrasound (HIFU). Because cavitation bubbles can affect an intended treatment, it is important to understand the dynamics of bubbles in this context. The relevant context includes very high acoustic pressures and frequencies as well as elevated temperatures. Relative to much of the prior research on cavitation and bubble dynamics, such conditions are unique. To address the relevant physics, a reduced-order model of a single, spherical bubble is proposed that incorporates phase change at the liquid-gas interface as well as heat and mass transport in both phases. Based on the energy lost during the inertial collapse and rebound of a millimeter-sized bubble, experimental observations were used to tune and test model predictions. In addition, benchmarks from the published literature were used to assess various aspects of model performance. Benchmark comparisons demonstrate that the model captures the basic physics of phase change and diffusive transport, while it is quantitatively sensitive to specific model assumptions and implementation details. Given its performance and numerical stability, the model can be used to explore bubble behaviors across a broad parameter space relevant to therapeutic ultrasound.

Evaluation of ground motion scaling methods for analysis of structural systems

USGS Publications Warehouse

O'Donnell, A. P.; Beltsar, O.A.; Kurama, Y.C.; Kalkan, E.; Taflanidis, A.A.

2011-01-01

Ground motion selection and scaling comprises undoubtedly the most important component of any seismic risk assessment study that involves time-history analysis. Ironically, this is also the single parameter with the least guidance provided in current building codes, resulting in the use of mostly subjective choices in design. The relevant research to date has been primarily on single-degree-of-freedom systems, with only a few studies using multi-degree-of-freedom systems. Furthermore, the previous research is based solely on numerical simulations with no experimental data available for the validation of the results. By contrast, the research effort described in this paper focuses on an experimental evaluation of selected ground motion scaling methods based on small-scale shake-table experiments of re-configurable linearelastic and nonlinear multi-story building frame structure models. Ultimately, the experimental results will lead to the development of guidelines and procedures to achieve reliable demand estimates from nonlinear response history analysis in seismic design. In this paper, an overview of this research effort is discussed and preliminary results based on linear-elastic dynamic response are presented. ?? ASCE 2011.

Experimental and theoretical study of magnetohydrodynamic ship models.

PubMed

Cébron, David; Viroulet, Sylvain; Vidal, Jérémie; Masson, Jean-Paul; Viroulet, Philippe

2017-01-01

Magnetohydrodynamic (MHD) ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.

Application of additive laser technologies in the gas turbine blades design process

NASA Astrophysics Data System (ADS)

Shevchenko, I. V.; Rogalev, A. N.; Osipov, S. K.; Bychkov, N. M.; Komarov, I. I.

2017-11-01

An emergence of modern innovative technologies requires delivering new and modernization existing design and production processes. It is especially relevant for designing the high-temperature turbines of gas turbine engines, development of which is characterized by a transition to higher parameters of working medium in order to improve their efficient performance. A design technique for gas turbine blades based on predictive verification of thermal and hydraulic models of their cooling systems by testing of a blade prototype fabricated using the selective laser melting technology was presented in this article. Technique was proven at the time of development of the first stage blade cooling system for the high-pressure turbine. An experimental procedure for verification of a thermal model of the blades with convective cooling systems based on the comparison of heat-flux density obtained from the numerical simulation data and results of tests in a liquid-metal thermostat was developed. The techniques makes it possible to obtain an experimentally tested blade version and to exclude its experimental adjustment after the start of mass production.

Experimental and theoretical study of magnetohydrodynamic ship models

PubMed Central

Viroulet, Sylvain; Vidal, Jérémie; Masson, Jean-Paul; Viroulet, Philippe

2017-01-01

Magnetohydrodynamic (MHD) ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques. PMID:28665941

Parameter estimation of qubit states with unknown phase parameter

NASA Astrophysics Data System (ADS)

Suzuki, Jun

2015-02-01

We discuss a problem of parameter estimation for quantum two-level system, qubit system, in presence of unknown phase parameter. We analyze trade-off relations for mean square errors (MSEs) when estimating relevant parameters with separable measurements based on known precision bounds; the symmetric logarithmic derivative (SLD) Cramér-Rao (CR) bound and Hayashi-Gill-Massar (HGM) bound. We investigate the optimal measurement which attains the HGM bound and discuss its properties. We show that the HGM bound for relevant parameters can be attained asymptotically by using some fraction of given n quantum states to estimate the phase parameter. We also discuss the Holevo bound which can be attained asymptotically by a collective measurement.

Laser-plasma interactions for fast ignition

NASA Astrophysics Data System (ADS)

Kemp, A. J.; Fiuza, F.; Debayle, A.; Johzaki, T.; Mori, W. B.; Patel, P. K.; Sentoku, Y.; Silva, L. O.

2014-05-01

In the electron-driven fast-ignition (FI) approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review recent progress in the understanding of intense laser-plasma interactions (LPI) relevant to FI. Increases in computational and modelling capabilities, as well as algorithmic developments have led to enhancement in our ability to perform multi-dimensional particle-in-cell simulations of LPI at relevant scales. We discuss the physics of the interaction in terms of laser absorption fraction, the laser-generated electron spectra, divergence, and their temporal evolution. Scaling with irradiation conditions such as laser intensity are considered, as well as the dependence on plasma parameters. Different numerical modelling approaches and configurations are addressed, providing an overview of the modelling capabilities and limitations. In addition, we discuss the comparison of simulation results with experimental observables. In particular, we address the question of surrogacy of today's experiments for the full-scale FI problem.

Charge transport in organic semiconductors.

PubMed

Bässler, Heinz; Köhler, Anna

2012-01-01

Modern optoelectronic devices, such as light-emitting diodes, field-effect transistors and organic solar cells require well controlled motion of charges for their efficient operation. The understanding of the processes that determine charge transport is therefore of paramount importance for designing materials with improved structure-property relationships. Before discussing different regimes of charge transport in organic semiconductors, we present a brief introduction into the conceptual framework in which we interpret the relevant photophysical processes. That is, we compare a molecular picture of electronic excitations against the Su-Schrieffer-Heeger semiconductor band model. After a brief description of experimental techniques needed to measure charge mobilities, we then elaborate on the parameters controlling charge transport in technologically relevant materials. Thus, we consider the influences of electronic coupling between molecular units, disorder, polaronic effects and space charge. A particular focus is given to the recent progress made in understanding charge transport on short time scales and short length scales. The mechanism for charge injection is briefly addressed towards the end of this chapter.

Near-Infrared Band Strengths of Molecules Diluted in N2 and H2O Ice Mixtures Relevant to Interstellar and Planetary Ices

NASA Technical Reports Server (NTRS)

Richey, Christina Rae; Gerakines, P.A.

2012-01-01

The relative abundances of ices in astrophysical environments rely on accurate laboratory measurements of physical parameters, such as band strengths (or absorption intensities), determined for the molecules of interest in relevant mixtures. In an extension of our previous study on pure-ice samples, here we focus on the near-infrared absorption features of molecules in mixtures with the dominant components of interstellar and planetary ices, H2O and N2. We present experimentally measured near-infrared spectral information (peak positions, widths, and band strengths) for both H2O- and N2-dominated mixtures of CO (carbon monoxide), CO2 (carbon dioxide), CH4 (methane), and NH3 (ammonia). Band strengths were determined during sample deposition by correlating the growth of near-infrared features (10,000-4000 per centimeter, 1-2.5 micrometers) with better-known mid-infrared features (4000-400 per centimeter, 2.5-25 micrometers) at longer wavelengths.

Noise in NC-AFM measurements with significant tip–sample interaction

PubMed Central

Lübbe, Jannis; Temmen, Matthias

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip–sample interactions. The total noise power spectral density D Δ f(f m) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip–sample interaction, by the coupling between the amplitude and tip–sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f(f m) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip–sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops. PMID:28144538

Controlled Electrospray Generation of Nonspherical Alginate Microparticles.

PubMed

Jeyhani, Morteza; Mak, Sze Yi; Sammut, Stephen; Shum, Ho Cheung; Hwang, Dae Kun; Tsai, Scott S H

2017-12-11

Electrospraying is a technique used to generate microparticles in a high throughput manner. For biomedical applications, a biocompatible electrosprayed material is often desirable. Using polymers, such as alginate hydrogels, makes it possible to create biocompatible and biodegradable microparticles that can be used for cell encapsulation, to be employed as drug carriers, and for use in 3D cell culturing. Evidence in the literature suggests that the morphology of the biocompatible microparticles is relevant in controlling the dynamics of the microparticles in drug delivery and 3D cell culturing applications. Yet, most electrospray-based techniques only form spherical microparticles, and there is currently no widely adopted technique for producing nonspherical microparticles at a high throughput. Here, we demonstrate the generation of nonspherical biocompatible alginate microparticles by electrospraying, and control the shape of the microparticles by varying experimental parameters such as chemical concentration and the distance between the electrospray tip and the particle-solidification bath. Importantly, we show that these changes to the experimental setup enable the synthesis of different shaped particles, and the systematic change in parameters, such as chemical concentration, result in monotonic changes to the particle aspect ratio. We expect that these results will find utility in many biomedical applications that require biocompatible microparticles of specific shapes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Degradation of ibuprofen by hydrodynamic cavitation: Reaction pathways and effect of operational parameters.

PubMed

Musmarra, Dino; Prisciandaro, Marina; Capocelli, Mauro; Karatza, Despina; Iovino, Pasquale; Canzano, Silvana; Lancia, Amedeo

2016-03-01

Ibuprofen (IBP) is an anti-inflammatory drug whose residues can be found worldwide in natural water bodies resulting in harmful effects to aquatic species even at low concentrations. This paper deals with the degradation of IBP in water by hydrodynamic cavitation in a convergent-divergent nozzle. Over 60% of ibuprofen was degraded in 60 min with an electrical energy per order (EEO) of 10.77 kWh m(-3) at an initial concentration of 200 μg L(-1) and a relative inlet pressure pin=0.35 MPa. Five intermediates generated from different hydroxylation reactions were identified; the potential mechanisms of degradation were sketched and discussed. The reaction pathways recognized are in line with the relevant literature, both experimental and theoretical. By varying the pressure upstream the constriction, different degradation rates were observed. This effect was discussed according to a numerical simulation of the hydroxyl radical production identifying a clear correspondence between the maximum kinetic constant kOH and the maximum calculated OH production. Furthermore, in the investigated experimental conditions, the pH parameter was found not to affect the extent of degradation; this peculiar feature agrees with a recently published kinetic insight and has been explained in the light of the intermediates of the different reaction pathways. Copyright © 2015 Elsevier B.V. All rights reserved.

Atomic kinetics of a neon photoionized plasma experiment at Z

NASA Astrophysics Data System (ADS)

Mayes, Daniel C.; Mancini, Roberto; Bailey, James E.; Loisel, Guillaume; Rochau, Gregory; ZAPP Collaboration

2018-06-01

We discuss an experimental effort to study the atomic kinetics in astrophysically relevant photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at a variable distance from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 30 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma at the peak of the x-ray drive from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of time-integrated and/or time-gated configurations is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal densities and charge state distributions, which can be compared with simulation results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas.

On the Yield Strength of Oceanic Lithosphere

NASA Astrophysics Data System (ADS)

Jain, C.; Korenaga, J.; Karato, S. I.

2017-12-01

The origin of plate tectonic convection on Earth is intrinsically linked to the reduction in the strength of oceanic lithosphere at plate boundaries. A few mechanisms, such as deep thermal cracking [Korenaga, 2007] and strain localization due to grain-size reduction [e.g., Ricard and Bercovici, 2009], have been proposed to explain this reduction in lithospheric strength, but the significance of these mechanisms can be assessed only if we have accurate estimates on the strength of the undamaged oceanic lithosphere. The Peierls mechanism is likely to govern the rheology of old oceanic lithosphere [Kohlstedt et al., 1995], but the flow-law parameters for the Peierls mechanism suggested by previous studies do not agree with each other. We thus reanalyze the relevant experimental deformation data of olivine aggregates using Markov chain Monte Carlo inversion, which can handle the highly nonlinear constitutive equation of the Peierls mechanism [Korenaga and Karato, 2008; Mullet et al., 2015]. Our inversion results indicate nontrivial nonuniqueness in every flow-law parameter for the Peierls mechanism. Moreover, the resultant flow laws, all of which are consistent with the same experimental data, predict substantially different yield stresses under lithospheric conditions and could therefore have different implications for the origin of plate tectonics. We discuss some future directions to improve our constraints on lithospheric yield strength.

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

PubMed

Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

2016-03-21

We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

First principles NMR study of fluorapatite under pressure.

PubMed

Pavan, Barbara; Ceresoli, Davide; Tecklenburg, Mary M J; Fornari, Marco

2012-01-01

NMR is the technique of election to probe the local properties of materials. Herein we present the results of density functional theory (DFT) ab initio calculations of the NMR parameters for fluorapatite (FAp), a calcium orthophosphate mineral belonging to the apatite family, by using the GIPAW method (Pickard and Mauri, 2001). Understanding the local effects of pressure on apatites is particularly relevant because of their important role in many solid state and biomedical applications. Apatites are open structures, which can undergo complex anisotropic deformations, and the response of NMR can elucidate the microscopic changes induced by an applied pressure. The computed NMR parameters proved to be in good agreement with the available experimental data. The structural evaluation of the material behavior under hydrostatic pressure (from -5 to +100 kbar) indicated a shrinkage of the diameter of the apatitic channel, and a strong correlation between NMR shielding and pressure, proving the sensitivity of this technique to even small changes in the chemical environment around the nuclei. This theoretical approach allows the exploration of all the different nuclei composing the material, thus providing a very useful guidance in the interpretation of experimental results, particularly valuable for the more challenging nuclei such as (43)Ca and (17)O. Copyright © 2012 Elsevier Inc. All rights reserved.

First Principles NMR Study of Fluorapatite under Pressure

PubMed Central

Pavan, Barbara; Ceresoli, Davide; Tecklenburg, Mary M. J.; Fornari, Marco

2012-01-01

NMR is the technique of election to probe the local properties of materials. Herein we present the results of density functional theory (DFT) ab initio calculations of the NMR parameters for fluorapatite (FAp), a calcium orthophosphate mineral belonging to the apatite family, by using the GIPAW method [Pickard and Mauri, 2001]. Understanding the local effects of pressure on apatites is particularly relevant because of their important role in many solid state and biomedical applications. Apatites are open structures, which can undergo complex anisotropic deformations, and the response of NMR can elucidate the microscopic changes induced by an applied pressure. The computed NMR parameters proved to be in good agreement with the available experimental data. The structural evaluation of the material behavior under hydrostatic pressure (from −5 to +100 kbar) indicated a shrinkage of the diameter of the apatitic channel, and a strong correlation between NMR shielding and pressure, proving the sensitivity of this technique to even small changes in the chemical environment around the nuclei. This theoretical approach allows the exploration of all the different nuclei composing the material, thus providing a very useful guidance in the interpretation of experimental results, particularly valuable for the more challenging nuclei such as 43Ca and 17O. PMID:22770669

Noise in NC-AFM measurements with significant tip-sample interaction.

PubMed

Lübbe, Jannis; Temmen, Matthias; Rahe, Philipp; Reichling, Michael

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip-sample interactions. The total noise power spectral density D Δ f ( f m ) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip-sample interaction, by the coupling between the amplitude and tip-sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f ( f m ) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip-sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops.

Characterization methods for liquid interfacial layers

NASA Astrophysics Data System (ADS)

Javadi, A.; Mucic, N.; Karbaschi, M.; Won, J. Y.; Lotfi, M.; Dan, A.; Ulaganathan, V.; Gochev, G.; Makievski, A. V.; Kovalchuk, V. I.; Kovalchuk, N. M.; Krägel, J.; Miller, R.

2013-05-01

Liquid interfaces are met everywhere in our daily life. The corresponding interfacial properties and their modification play an important role in many modern technologies. Most prominent examples are all processes involved in the formation of foams and emulsions, as they are based on a fast creation of new surfaces, often of an immense extension. During the formation of an emulsion, for example, all freshly created and already existing interfaces are permanently subject to all types of deformation. This clearly entails the need of a quantitative knowledge on relevant dynamic interfacial properties and their changes under conditions pertinent to the technological processes. We report on the state of the art of interfacial layer characterization, including the determination of thermodynamic quantities as base line for a further quantitative analysis of the more important dynamic interfacial characteristics. Main focus of the presented work is on the experimental possibilities available at present to gain dynamic interfacial parameters, such as interfacial tensions, adsorbed amounts, interfacial composition, visco-elastic parameters, at shortest available surface ages and fastest possible interfacial perturbations. The experimental opportunities are presented along with examples for selected systems and theoretical models for a best data analysis. We also report on simulation results and concepts of necessary refinements and developments in this important field of interfacial dynamics.

A Quantitative Theoretical Framework For Protein-Induced Fluorescence Enhancement-Förster-Type Resonance Energy Transfer (PIFE-FRET).

PubMed

Lerner, Eitan; Ploetz, Evelyn; Hohlbein, Johannes; Cordes, Thorben; Weiss, Shimon

2016-07-07

Single-molecule, protein-induced fluorescence enhancement (PIFE) serves as a molecular ruler at molecular distances inaccessible to other spectroscopic rulers such as Förster-type resonance energy transfer (FRET) or photoinduced electron transfer. In order to provide two simultaneous measurements of two distances on different molecular length scales for the analysis of macromolecular complexes, we and others recently combined measurements of PIFE and FRET (PIFE-FRET) on the single molecule level. PIFE relies on steric hindrance of the fluorophore Cy3, which is covalently attached to a biomolecule of interest, to rotate out of an excited-state trans isomer to the cis isomer through a 90° intermediate. In this work, we provide a theoretical framework that accounts for relevant photophysical and kinetic parameters of PIFE-FRET, show how this framework allows the extraction of the fold-decrease in isomerization mobility from experimental data, and show how these results provide information on changes in the accessible volume of Cy3. The utility of this model is then demonstrated for experimental results on PIFE-FRET measurement of different protein-DNA interactions. The proposed model and extracted parameters could serve as a benchmark to allow quantitative comparison of PIFE effects in different biological systems.

Experimental and numerical analysis of coastal protection provided by natural ecosystems

NASA Astrophysics Data System (ADS)

Maza, M.; Lara, J. L.; Losada, I. J.; Nepf, H. M.

2016-12-01

The risk of flooding and erosion is increasing for many coastal areas owing to global and regional changes in climate conditions together with increasing exposure and vulnerability. After hurricane Katrina (2005) and Sandy (2012) and the tsunami in Indonesia (2004), coastal managers have become interested in low environmental impact alternatives, or nature-based solutions, to protect the coast. Although capacity for coastal ecosystems to damp flow energy has been widely recognized, they have not been firmly considered in the portfolio of coastal protection options. This is mainly due to the complexity of flow-vegetation interaction and of quantifying the value of coastal protection provided by these ecosystems. This complex problem involves different temporal and spatial scales and disciplines, such as engineering, ecology and economics. This work aims to make a step forward in better understanding the physics involved in flow-vegetation interaction leading to new formulations and parameterizations to address some unsolved questions in literature: the representation of plants and field properties; the influence of wave parameters on the relevant processes; the role of the combined effect of waves and currents and the effect of extreme events on vegetation elements. The three main coastal vegetated ecosystems (seagrasses, saltmarshes and mangroves) are studied with an experimental and numerical approach. Experimental analysis is carried out using mimics and real vegetation, considering different flow and vegetation parameters and characterizing flow energy attenuation for the different scenarios. Numerical simulations are performed using 2-D and 3-D Navier-Stokes models in which the effect of vegetation is implemented and validated. These models are used to extend experimental results by simulating different vegetation distributions and analyzing variables such as high-spatial-resolution free surface and velocity data and forces exerted on vegetation elements.

Arrhenius parameter determination as a function of heating method and cellular microenvironment based on spatial cell viability analysis.

PubMed

Whitney, Jon; Carswell, William; Rylander, Nichole

2013-06-01

Predictions of injury in response to photothermal therapy in vivo are frequently made using Arrhenius parameters obtained from cell monolayers exposed to laser or water bath heating. However, the impact of different heating methods and cellular microenvironments on Arrhenius predictions has not been thoroughly investigated. This study determined the influence of heating method (water bath and laser irradiation) and cellular microenvironment (cell monolayers and tissue phantoms) on Arrhenius parameters and spatial viability. MDA-MB-231 cells seeded in monolayers and sodium alginate phantoms were heated with a water bath for 3-20 min at 46, 50, and 54 °C or laser irradiated (wavelength of 1064 nm and fluences of 40 W/cm(2) or 3.8 W/cm(2) for 0-4 min) in combination with photoabsorptive carbon nanohorns. Spatial viability was measured using digital image analysis of cells stained with calcein AM and propidium iodide and used to determine Arrhenius parameters. The influence of microenvironment and heating method on Arrhenius parameters and capability of parameters derived from more simplistic experimental conditions (e.g. water bath heating of monolayers) to predict more physiologically relevant systems (e.g. laser heating of phantoms) were assessed. Arrhenius predictions of the treated area (<1% viable) under-predicted the measured areas in photothermally treated phantoms by 23 mm(2) using water bath treated cell monolayer parameters, 26 mm(2) using water bath treated phantom parameters, 27 mm(2) using photothermally treated monolayer parameters, and 0.7 mm(2) using photothermally treated phantom parameters. Heating method and cellular microenvironment influenced Arrhenius parameters, with heating method having the greater impact.

Estimating the Relevance of World Disturbances to Explain Savings, Interference and Long-Term Motor Adaptation Effects

PubMed Central

Berniker, Max; Kording, Konrad P.

2011-01-01

Recent studies suggest that motor adaptation is the result of multiple, perhaps linear processes each with distinct time scales. While these models are consistent with some motor phenomena, they can neither explain the relatively fast re-adaptation after a long washout period, nor savings on a subsequent day. Here we examined if these effects can be explained if we assume that the CNS stores and retrieves movement parameters based on their possible relevance. We formalize this idea with a model that infers not only the sources of potential motor errors, but also their relevance to the current motor circumstances. In our model adaptation is the process of re-estimating parameters that represent the body and the world. The likelihood of a world parameter being relevant is then based on the mismatch between an observed movement and that predicted when not compensating for the estimated world disturbance. As such, adapting to large motor errors in a laboratory setting should alert subjects that disturbances are being imposed on them, even after motor performance has returned to baseline. Estimates of this external disturbance should be relevant both now and in future laboratory settings. Estimated properties of our bodies on the other hand should always be relevant. Our model demonstrates savings, interference, spontaneous rebound and differences between adaptation to sudden and gradual disturbances. We suggest that many issues concerning savings and interference can be understood when adaptation is conditioned on the relevance of parameters. PMID:21998574

Translational Rodent Paradigms to Investigate Neuromechanisms Underlying Behaviors Relevant to Amotivation and Altered Reward Processing in Schizophrenia

PubMed Central

Young, Jared W.; Markou, Athina

2015-01-01

Amotivation and reward-processing deficits have long been described in patients with schizophrenia and considered large contributors to patients’ inability to integrate well in society. No effective treatments exist for these symptoms, partly because the neuromechanisms mediating such symptoms are poorly understood. Here, we propose a translational neuroscientific approach that can be used to assess reward/motivational deficits related to the negative symptoms of schizophrenia using behavioral paradigms that can also be conducted in experimental animals. By designing and using objective laboratory behavioral tools that are parallel in their parameters in rodents and humans, the neuromechanisms underlying behaviors with relevance to these symptoms of schizophrenia can be investigated. We describe tasks that measure the motivation of rodents to expend physical and cognitive effort to gain rewards, as well as probabilistic learning tasks that assess both reward learning and feedback-based decision making. The latter tasks are relevant because of demonstrated links of performance deficits correlating with negative symptoms in patients with schizophrenia. These tasks utilize operant techniques in order to investigate neural circuits targeting a specific domain across species. These tasks therefore enable the development of insights into altered mechanisms leading to negative symptom-relevant behaviors in patients with schizophrenia. Such findings will then enable the development of targeted treatments for these altered neuromechanisms and behaviors seen in schizophrenia. PMID:26194891

Prediction of Adsorption Equilibrium of VOCs onto Hyper-Cross-Linked Polymeric Resin at Environmentally Relevant Temperatures and Concentrations Using Inverse Gas Chromatography.

PubMed

Jia, Lijuan; Ma, Jiakai; Shi, Qiuyi; Long, Chao

2017-01-03

Hyper-cross-linked polymeric resin (HPR) represents a class of predominantly microporous adsorbents and has good adsorption performance toward VOCs. However, adsorption equilibrium of VOCs onto HPR are limited. In this research, a novel method for predicting adsorption capacities of VOCs on HPR at environmentally relevant temperatures and concentrations using inverse gas chromatography data was proposed. Adsorption equilibrium of six VOCs (n-pentane, n-hexane, dichloromethane, acetone, benzene, 1, 2-dichloroethane) onto HPR in the temperature range of 403-443 K were measured by inverse gas chromatography (IGC). Adsorption capacities at environmentally relevant temperatures (293-328 K) and concentrations (P/P s = 0.1-0.7) were predicted using Dubinin-Radushkevich (DR) equation based on Polany's theory. Taking consideration of the swelling properties of HPR, the volume swelling ratio (r) was introduced and r·V micro was used instead of V micro determined by N 2 adsorption data at 77 K as the parameter q 0 (limiting micropore volume) of the DR equation. The results showed that the adsorption capacities of VOCs at environmentally relevant temperatures and concentrations can be predicted effectively using IGC data, the root-mean-square errors between the predicted and experimental data was below 9.63%. The results are meaningful because they allow accurate prediction of adsorption capacities of adsorbents more quickly and conveniently using IGC data.

Balancing novelty with confined chemical space in modern drug discovery.

PubMed

Medina-Franco, José L; Martinez-Mayorga, Karina; Meurice, Nathalie

2014-02-01

The concept of chemical space has broad applications in drug discovery. In response to the needs of drug discovery campaigns, different approaches are followed to efficiently populate, mine and select relevant chemical spaces that overlap with biologically relevant chemical spaces. This paper reviews major trends in current drug discovery and their impact on the mining and population of chemical space. We also survey different approaches to develop screening libraries with confined chemical spaces balancing physicochemical properties. In this context, the confinement is guided by criteria that can be divided in two broad categories: i) library design focused on a relevant therapeutic target or disease and ii) library design focused on the chemistry or a desired molecular function. The design and development of chemical libraries should be associated with the specific purpose of the library and the project goals. The high complexity of drug discovery and the inherent imperfection of individual experimental and computational technologies prompt the integration of complementary library design and screening approaches to expedite the identification of new and better drugs. Library design approaches including diversity-oriented synthesis, biological-oriented synthesis or combinatorial library design, to name a few, and the design of focused libraries driven by target/disease, chemical structure or molecular function are more efficient if they are guided by multi-parameter optimization. In this context, consideration of pharmaceutically relevant properties is essential for balancing novelty with chemical space in drug discovery.

Why the impact of mechanical stimuli on stem cells remains a challenge.

PubMed

Goetzke, Roman; Sechi, Antonio; De Laporte, Laura; Neuss, Sabine; Wagner, Wolfgang

2018-05-04

Mechanical stimulation affects growth and differentiation of stem cells. This may be used to guide lineage-specific cell fate decisions and therefore opens fascinating opportunities for stem cell biology and regenerative medicine. Several studies demonstrated functional and molecular effects of mechanical stimulation but on first sight these results often appear to be inconsistent. Comparison of such studies is hampered by a multitude of relevant parameters that act in concert. There are notorious differences between species, cell types, and culture conditions. Furthermore, the utilized culture substrates have complex features, such as surface chemistry, elasticity, and topography. Cell culture substrates can vary from simple, flat materials to complex 3D scaffolds. Last but not least, mechanical forces can be applied with different frequency, amplitude, and strength. It is therefore a prerequisite to take all these parameters into consideration when ascribing their specific functional relevance-and to only modulate one parameter at the time if the relevance of this parameter is addressed. Such research questions can only be investigated by interdisciplinary cooperation. In this review, we focus particularly on mesenchymal stem cells and pluripotent stem cells to discuss relevant parameters that contribute to the kaleidoscope of mechanical stimulation of stem cells.

Optimization of interaction conditions for efficient short laser pulse amplification by stimulated Brillouin scattering in the strongly coupled regime

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

Chiaramello, M.; Riconda, C.; Amiranoff, F.

Plasma amplification of low energy, a short (∼100–500 fs) laser pulse by an energetic long (∼10 ps) pulse via strong coupling Stimulated Brillouin Backscattering is investigated with an extensive analysis of one-dimensional particle-in-cell simulations. Parameters relevant to nowadays experimental conditions are investigated. The obtained seed pulse spectra are analyzed as a function of the interaction conditions such as plasma profile, pulses delay, and seed or pulse duration. The factors affecting the amount of energy transferred are determined, and the competition between Brillouin-based amplification and parasitic Raman backscattering is analyzed, leading to the optimization of the interaction conditions.

Natural convection in symmetrically heated vertical parallel plates with discrete heat sources

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

Manca, O.; Nardini, S.; Naso, V.

Laminar air natural convection in a symmetrically heated vertical channel with uniform flush-mounted discrete heat sources has been experimentally investigated. The effects of heated strips location and of their number are pointed out in terms of the maximum wall temperatures. A flow visualization in the entrance region of the channel was carried out and air temperatures and velocities in two cross sections have been measured. Dimensionless local heat transfer coefficients have been evaluated and monomial correlations among relevant parameters have bee derived in the local Rayleigh number range 10--10{sup 6}. Channel Nusselt number has been correlated in a polynomial formmore » in terms of channel Rayleigh number.« less

Dynamic current susceptibility as a probe of Majorana bound states in nanowire-based Josephson junctions

NASA Astrophysics Data System (ADS)

Trif, Mircea; Dmytruk, Olesia; Bouchiat, Hélène; Aguado, Ramón; Simon, Pascal

2018-02-01

We theoretically study a Josephson junction based on a semiconducting nanowire subject to a time-dependent flux bias. We establish a general density-matrix approach for the dynamical response of the Majorana junction and calculate the resulting flux-dependent susceptibility using both microscopic and effective low-energy descriptions for the nanowire. We find that the diagonal component of the susceptibility, associated with the dynamics of the Majorana state populations, dominates over the standard Kubo contribution for a wide range of experimentally relevant parameters. The diagonal term, explored, in this Rapid Communication, in the context of Majorana physics, allows probing accurately the presence of Majorana bound states in the junction.

Wavelength tuning of multimode interference bandpass filters by mechanical bending: experiment and theory in comparison

NASA Astrophysics Data System (ADS)

Walbaum, T.; Fallnich, C.

2012-07-01

We present the tuning of multimode interference bandpass filters made of standard fibers by mechanical bending. Our setup allows continuous adjustment of the bending radius from infinity down to about 5 cm. The impact of bending on the transmission spectrum and on polarization is investigated experimentally, and a filter with a continuous tuning range of 13.6 nm and 86 % peak transmission was realized. By use of numerical simulations employing a semi-analytical mode expansion approach, we obtain quantitative understanding of the underlying physics. Further breakdown of the governing equations enables us to identify the fiber parameters that are relevant for the design of customized filters.

FPGA-Based Fused Smart-Sensor for Tool-Wear Area Quantitative Estimation in CNC Machine Inserts

PubMed Central

Trejo-Hernandez, Miguel; Osornio-Rios, Roque Alfredo; de Jesus Romero-Troncoso, Rene; Rodriguez-Donate, Carlos; Dominguez-Gonzalez, Aurelio; Herrera-Ruiz, Gilberto

2010-01-01

Manufacturing processes are of great relevance nowadays, when there is a constant claim for better productivity with high quality at low cost. The contribution of this work is the development of a fused smart-sensor, based on FPGA to improve the online quantitative estimation of flank-wear area in CNC machine inserts from the information provided by two primary sensors: the monitoring current output of a servoamplifier, and a 3-axis accelerometer. Results from experimentation show that the fusion of both parameters makes it possible to obtain three times better accuracy when compared with the accuracy obtained from current and vibration signals, individually used. PMID:22319304

Packing properties of starch-based powders under mild mechanical stress.

PubMed

Zanardi, I; Gabbrielli, A; Travagli, V

2009-07-01

This study reports the ability to settle of commercial pharmaceutical grade starch samples, both native and pregelatinized. The experiments were carried out under different relative humidity (RH%) conditions and the packing properties were evaluated using both official pharmacopoeial monograph conditions and also modified conditions in order to give a deeper knowledge of tapping under mild mechanical stress. The technique adopted, simulating common pharmaceutical operating practices, appears to be useful to estimate some technologically relevant features of diluent powder materials. Moreover, a general mathematical function has been applied to the experimental data; this could be appropriate for adequately describing material settling patterns and offers practical parameters for characterizing starch powders within the context of a pharmaceutical quality system.

A 2D systems approach to iterative learning control for discrete linear processes with zero Markov parameters

NASA Astrophysics Data System (ADS)

Hladowski, Lukasz; Galkowski, Krzysztof; Cai, Zhonglun; Rogers, Eric; Freeman, Chris T.; Lewin, Paul L.

2011-07-01

In this article a new approach to iterative learning control for the practically relevant case of deterministic discrete linear plants with uniform rank greater than unity is developed. The analysis is undertaken in a 2D systems setting that, by using a strong form of stability for linear repetitive processes, allows simultaneous consideration of both trial-to-trial error convergence and along the trial performance, resulting in design algorithms that can be computed using linear matrix inequalities (LMIs). Finally, the control laws are experimentally verified on a gantry robot that replicates a pick and place operation commonly found in a number of applications to which iterative learning control is applicable.

Experimental study of subcritical laboratory magnetized collisionless shocks using a laser-driven magnetic piston

NASA Astrophysics Data System (ADS)

Schaeffer, D. B.; Everson, E. T.; Bondarenko, A. S.; Clark, S. E.; Constantin, C. G.; Winske, D.; Gekelman, W.; Niemann, C.

2015-11-01

Recent experiments at the University of California, Los Angeles have successfully generated subcritical magnetized collisionless shocks, allowing new laboratory studies of shock formation relevant to space shocks. The characteristics of these shocks are compared with new data in which no shock or a pre-shock formed. The results are consistent with theory and 2D hybrid simulations and indicate that the observed shock or shock-like structures can be organized into distinct regimes by coupling strength. With additional experiments on the early time parameters of the laser plasma utilizing Thomson scattering, spectroscopy, and fast-gate filtered imaging, these regimes are found to be in good agreement with theoretical shock formation criteria.

Magnetic properties of square Py nanowires: Irradiation dose and geometry dependence

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

Ehrmann, A., E-mail: andrea.ehrmann@fh-bielefeld.de; Blachowicz, T.; Komraus, S.

Arrays of ferromagnetic patterned nanostructures with single particle lateral dimensions between 160 nm and 400 nm were created by electron-beam lithography. The fourfold particles with rectangular-shaped walls around a square open area were produced from permalloy. Their magnetic properties were measured using the longitudinal magneto-optical Kerr effect. The article reports about the angle-dependent coercive fields and the influence of the e-beam radiation dose on sample shapes. It is shown that a broad range of radiation dose intensities enables reliable creation of nanostructures with parameters relevant for the desired magnetization reversal scenario. The experimental results are finally compared with micromagnetic simulations to explainmore » the findings.« less

Positional stability as the light emission limit in sonoluminescence with sulfuric acid.

PubMed

Urteaga, Raúl; Dellavale, Damián H; Puente, Gabriela F; Bonetto, Fabián J

2007-11-01

We studied a single bubble sonoluminescence system consisting of an argon bubble in a sulfuric acid aq. solution. We experimentally determined the relevant variables of the system. We also measured the bubble position, extent of the bubble orbits, and light intensity as a function of acoustic pressure for different argon concentrations. We find that the Bjerknes force is responsible for the bubble mean position and this imposes a limitation in the maximum acoustic pressure that can be applied to the bubble. The Rayleigh-Taylor instability does not play a role in this system and, at a given gas concentration, the SL intensity depends more on the bubble time of collapse than any other investigated parameter.

Analysis of the energetic metabolism in cyclic Bedouin goats (Capra hircus): Nychthemeral and seasonal variations of some haematochemical parameters in relation with body and ambient temperatures.

PubMed

Malek, Mouna; Amirat, Zaina; Khammar, Farida; Khaldoun, Mounira

2016-08-01

Several studies have examined changes in some haematochemical parameters as a function of the different physiological status (cyclic, pregnant and lactating) of goats, but no relevant literature has exhaustively investigated these variations from anestrous to estrous stages in cyclic goats. In this paper, we report nychthemeral and seasonal variations in ambient and body temperatures, and in some haematochemical parameters (glycemia, cholesterolemia, triglyceridemia, creatininemia and uremia) measured during summer, winter and spring, in seven (7) experimental cyclic female Bedouin goats (Capra hircus) living in the Béni-Abbès region (Algerian Sahara desert). Cosinor rhythmometry procedure was used to determine the rhythmic parameters of ambient temperature and haematochemical parameters. To determine the effect of time of day on the rhythmicity of the studied parameters, as well as their seasonality, repeated measure analysis of variance (ANOVA) was applied. The results showed that in spite of the nychthemeral profile presented by the ambient temperature for each season, the body temperature remained in a narrow range, thus indicating a successful thermoregulation. The rhythmometry analysis showed a circadian rhythmicity of ambient temperature and haematochemical parameters with diurnal acrophases. A statistically significant effect of the time of day was shown on all studied haematochemical parameters, except on creatininemia. It was also found that only uremia, cholesterolemia and triglyceridemia followed the seasonal sexual activity of the studied ruminant. This study demonstrated the good physiological adaptation developed by this breed in response to the harsh climatic conditions of its natural environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I.

PubMed

Wilczura-Wachnik, Hanna; Jónsdóttir, Svava Osk

2003-04-01

A method for calculating interaction parameters traditionally used in phase-equilibrium computations in low-molecular systems has been extended for the prediction of solvent activities of aromatic polymer solutions (polystyrene+methylcyclohexane). Using ethylbenzene as a model compound for the repeating unit of the polymer, the intermolecular interaction energies between the solvent molecule and the polymer were simulated. The semiempirical quantum chemical method AM1, and a method for sampling relevant internal orientations for a pair of molecules developed previously were used. Interaction energies are determined for three molecular pairs, the solvent and the model molecule, two solvent molecules and two model molecules, and used to calculated UNIQUAC interaction parameters, a(ij) and a(ji). Using these parameters, the solvent activities of the polystyrene 90,000 amu+methylcyclohexane system, and the total vapor pressures of the methylcyclohexane+ethylbenzene system were calculated. The latter system was compared to experimental data, giving qualitative agreement. Figure Solvent activities for the methylcylcohexane(1)+polystyrene(2) system at 316 K. Parameters aij (blue line) obtained with the AM1 method; parameters aij (pink line) from VLE data for the ethylbenzene+methylcyclohexane system. The abscissa is the polymer weight fraction defined as y2(x1)=(1mx1)M2/[x1M1+(1mx1)M2], where x1 is the solvent mole fraction and Mi are the molecular weights of the components.

Roll compaction/dry granulation: comparison between roll mill and oscillating granulator in dry granulation.

PubMed

Sakwanichol, Jarunee; Puttipipatkhachorn, Satit; Ingenerf, Gernot; Kleinebudde, Peter

2012-01-01

Different experimental factorial designs were employed to evaluate granule properties obtained from oscillating granulator and roll mill. Four oscillating-granulator parameters were varied, i.e. rotor speed, oscillating angle, aperture of mesh screen and rotor type. Six roll-mill parameters that were throughput, speed ratio in both first and second stages, gap between roll pair in both stages and roll-surface texture were also investigated. Afterwards, the granule properties obtained from two milling types with similar median particle size were compared. All milling parameters in both milling types affected significantly the median particle size, size distribution and amount of fine particles (P < 0.05), except the rotor types of oscillating granulator on fines. Only three milling parameters influenced significantly the flowability (P < 0.05). These were the throughput and the gap size in the first stage of roll mill and the sieve size of oscillating granulator. In comparison between milling types, the differences of granule properties were not practically relevant. However, the roll mill had much higher capacity than the oscillating granulator about seven times, resulting in improving energy savings per unit of product. Consequently, the roll mill can be applied instead of oscillating granulator for roll compaction/dry granulation technique.

Chromium released from leather – I: exposure conditions that govern the release of chromium(III) and chromium(VI)

PubMed Central

Hedberg, Yolanda S; Lidén, Carola; Odnevall Wallinder, Inger

2015-01-01

Background Approximately 1–3% of the adult population in Europe is allergic to chromium (Cr). A new restriction in REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) based on the ISO 17075 standard has recently been adopted in the EU to limit Cr(VI) in consumer and occupational leather products. Objectives The aim of this study was to critically assess key experimental parameters in this standard on the release of Cr(III) and Cr(VI) and their relevance for skin exposure. Material and methods Four differently tanned, unfinished, leather samples were systematically investigated for their release of Cr(III) and Cr(VI) in relation to surface area, key exposure parameters, temperature, ultraviolet irradiation, and time. Results Although the total release of Cr was largely unaffected by all investigated parameters, except exposure duration and temperature, the Cr oxidation state was highly dynamic, with reduced amounts of released Cr(VI) with time, owing to the simultaneous release of reducing agents from the leather. Significantly more Cr(III) than Cr(VI) was released from the Cr-tanned leather for all conditions tested, and it continued to be released in artificial sweat up to at least 1 week of exposure. Conclusions Several parameters were identified that influenced the outcome of the ISO 17075 test. PMID:25653094

Combination of partial least squares regression and design of experiments to model the retention of pharmaceutical compounds in supercritical fluid chromatography.

PubMed

Andri, Bertyl; Dispas, Amandine; Marini, Roland Djang'Eing'a; Hubert, Philippe; Sassiat, Patrick; Al Bakain, Ramia; Thiébaut, Didier; Vial, Jérôme

2017-03-31

This work presents a first attempt to establish a model of the retention behaviour for pharmaceutical compounds in gradient mode SFC. For this purpose, multivariate statistics were applied on the basis of data gathered with the Design of Experiment (DoE) methodology. It permitted to build optimally the experiments needed, and served as a basis for providing relevant physicochemical interpretation of the effects observed. Data gathered over a broad experimental domain enabled the establishment of well-fit linear models of the retention of the individual compounds in presence of methanol as co-solvent. These models also allowed the appreciation of the impact of each experimental parameter and their factorial combinations. This approach was carried out with two organic modifiers (i.e. methanol and ethanol) and provided comparable results. Therefore, it demonstrates the feasibility to model retention in gradient mode SFC for individual compounds as a function of the experimental conditions. This approach also permitted to highlight the predominant effect of some parameters (e.g. gradient slope and pressure) on the retention of compounds. Because building of individual models of retention was possible, the next step considered the establishment of a global model of the retention to predict the behaviour of given compounds on the basis of, on the one side, the physicochemical descriptors of the compounds (e.g. Linear Solvation Energy Relationship (LSER) descriptors) and, on the other side, of the experimental conditions. This global model was established by means of partial least squares regression for the selected compounds, in an experimental domain defined by the Design of Experiment (DoE) methodology. Assessment of the model's predictive capabilities revealed satisfactory agreement between predicted and actual retention (i.e. R 2 =0.942, slope=1.004) of the assessed compounds, which is unprecedented in the field. Copyright © 2017 Elsevier B.V. All rights reserved.

Optimal experimental design for improving the estimation of growth parameters of Lactobacillus viridescens from data under non-isothermal conditions.

PubMed

Longhi, Daniel Angelo; Martins, Wiaslan Figueiredo; da Silva, Nathália Buss; Carciofi, Bruno Augusto Mattar; de Aragão, Gláucia Maria Falcão; Laurindo, João Borges

2017-01-02

In predictive microbiology, the model parameters have been estimated using the sequential two-step modeling (TSM) approach, in which primary models are fitted to the microbial growth data, and then secondary models are fitted to the primary model parameters to represent their dependence with the environmental variables (e.g., temperature). The Optimal Experimental Design (OED) approach allows reducing the experimental workload and costs, and the improvement of model identifiability because primary and secondary models are fitted simultaneously from non-isothermal data. Lactobacillus viridescens was selected to this study because it is a lactic acid bacterium of great interest to meat products preservation. The objectives of this study were to estimate the growth parameters of L. viridescens in culture medium from TSM and OED approaches and to evaluate both the number of experimental data and the time needed in each approach and the confidence intervals of the model parameters. Experimental data for estimating the model parameters with TSM approach were obtained at six temperatures (total experimental time of 3540h and 196 experimental data of microbial growth). Data for OED approach were obtained from four optimal non-isothermal profiles (total experimental time of 588h and 60 experimental data of microbial growth), two profiles with increasing temperatures (IT) and two with decreasing temperatures (DT). The Baranyi and Roberts primary model and the square root secondary model were used to describe the microbial growth, in which the parameters b and T min (±95% confidence interval) were estimated from the experimental data. The parameters obtained from TSM approach were b=0.0290 (±0.0020) [1/(h 0.5 °C)] and T min =-1.33 (±1.26) [°C], with R 2 =0.986 and RMSE=0.581, and the parameters obtained with the OED approach were b=0.0316 (±0.0013) [1/(h 0.5 °C)] and T min =-0.24 (±0.55) [°C], with R 2 =0.990 and RMSE=0.436. The parameters obtained from OED approach presented smaller confidence intervals and best statistical indexes than those from TSM approach. Besides, less experimental data and time were needed to estimate the model parameters with OED than TSM. Furthermore, the OED model parameters were validated with non-isothermal experimental data with great accuracy. In this way, OED approach is feasible and is a very useful tool to improve the prediction of microbial growth under non-isothermal condition. Copyright © 2016 Elsevier B.V. All rights reserved.

Predicting subsurface uranium transport: Mechanistic modeling constrained by experimental data

NASA Astrophysics Data System (ADS)

Ottman, Michael; Schenkeveld, Walter D. C.; Kraemer, Stephan

2017-04-01

Depleted uranium (DU) munitions and their widespread use throughout conflict zones around the world pose a persistent health threat to the inhabitants of those areas long after the conclusion of active combat. However, little emphasis has been put on developing a comprehensive, quantitative tool for use in remediation and hazard avoidance planning in a wide range of environments. In this context, we report experimental data on U interaction with soils and sediments. Here, we strive to improve existing risk assessment modeling paradigms by incorporating a variety of experimental data into a mechanistic U transport model for subsurface environments. 20 different soils and sediments from a variety of environments were chosen to represent a range of geochemical parameters that are relevant to U transport. The parameters included pH, organic matter content, CaCO3, Fe content and speciation, and clay content. pH ranged from 3 to 10, organic matter content from 6 to 120 g kg-1, CaCO3 from 0 to 700 g kg-1, amorphous Fe content from 0.3 to 6 g kg-1 and clay content from 4 to 580 g kg-1. Sorption experiments were then performed, and linear isotherms were constructed. Sorption experiment results show that among separate sets of sediments and soils, there is an inverse correlation between both soil pH and CaCO¬3 concentration relative to U sorptive affinity. The geological materials with the highest and lowest sorptive affinities for U differed in CaCO3 and organic matter concentrations, as well as clay content and pH. In a further step, we are testing if transport behavior in saturated porous media can be predicted based on adsorption isotherms and generic geochemical parameters, and comparing these modeling predictions with the results from column experiments. The comparison of these two data sets will examine if U transport can be effectively predicted from reactive transport modeling that incorporates the generic geochemical parameters. This work will serve to show whether a more mechanistic approach offers an improvement over statistical regression-based risk assessment models.

Control-Relevant Modeling, Analysis, and Design for Scramjet-Powered Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Rodriguez, Armando A.; Dickeson, Jeffrey J.; Sridharan, Srikanth; Benavides, Jose; Soloway, Don; Kelkar, Atul; Vogel, Jerald M.

2009-01-01

Within this paper, control-relevant vehicle design concepts are examined using a widely used 3 DOF (plus flexibility) nonlinear model for the longitudinal dynamics of a generic carrot-shaped scramjet powered hypersonic vehicle. Trade studies associated with vehicle/engine parameters are examined. The impact of parameters on control-relevant static properties (e.g. level-flight trimmable region, trim controls, AOA, thrust margin) and dynamic properties (e.g. instability and right half plane zero associated with flight path angle) are examined. Specific parameters considered include: inlet height, diffuser area ratio, lower forebody compression ramp inclination angle, engine location, center of gravity, and mass. Vehicle optimizations is also examined. Both static and dynamic considerations are addressed. The gap-metric optimized vehicle is obtained to illustrate how this control-centric concept can be used to "reduce" scheduling requirements for the final control system. A classic inner-outer loop control architecture and methodology is used to shed light on how specific vehicle/engine design parameter selections impact control system design. In short, the work represents an important first step toward revealing fundamental tradeoffs and systematically treating control-relevant vehicle design.

Characterization of human passive muscles for impact loads using genetic algorithm and inverse finite element methods.

PubMed

Chawla, A; Mukherjee, S; Karthikeyan, B

2009-02-01

The objective of this study is to identify the dynamic material properties of human passive muscle tissues for the strain rates relevant to automobile crashes. A novel methodology involving genetic algorithm (GA) and finite element method is implemented to estimate the material parameters by inverse mapping the impact test data. Isolated unconfined impact tests for average strain rates ranging from 136 s(-1) to 262 s(-1) are performed on muscle tissues. Passive muscle tissues are modelled as isotropic, linear and viscoelastic material using three-element Zener model available in PAMCRASH(TM) explicit finite element software. In the GA based identification process, fitness values are calculated by comparing the estimated finite element forces with the measured experimental forces. Linear viscoelastic material parameters (bulk modulus, short term shear modulus and long term shear modulus) are thus identified at strain rates 136 s(-1), 183 s(-1) and 262 s(-1) for modelling muscles. Extracted optimal parameters from this study are comparable with reported parameters in literature. Bulk modulus and short term shear modulus are found to be more influential in predicting the stress-strain response than long term shear modulus for the considered strain rates. Variations within the set of parameters identified at different strain rates indicate the need for new or improved material model, which is capable of capturing the strain rate dependency of passive muscle response with single set of material parameters for wide range of strain rates.

Following coherent multichannel nuclear wave packets in pump-probe studies of O2 with ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Xue, Shan; Du, Hongchuan; Hu, Bitao; Lin, C. D.; Le, Anh-Thu

2018-04-01

We reexamine the recent pump-probe experiment with O2 using short intense infrared laser pulses theoretically. Using parameters that closely mimic the experimental conditions and taking into account the angle-dependent population redistribution due to resonant coupling between the relevant states, we show that the observed kinetic energy release spectra, including the energy-dependent structure and the quantum beat frequencies, can be accurately reproduced. Our results reveal additional important channels that were missed earlier. In particular, the strong contributions from O2+a 4Πu and b 4Σg- states lead to the possibility of observing the interchannel beating. We further demonstrate that, by varying the laser parameters, the coherent nuclear wave-packet motions on different potential energy surfaces (PESs) can be probed and the properties of the PES can be examined. Future experiments with different wavelength lasers are proposed for better probing and controlling nuclear dynamics on different PESs.

Electron Impact Multiple Ionization Cross Sections for Solar Physics

NASA Astrophysics Data System (ADS)

Hahn, M.; Savin, D. W.; Mueller, A.

2017-12-01

We have compiled a set of electron-impact multiple ionization (EIMI) cross sections for astrophysically relevant ions. EIMI can have a significant effect on the ionization balance of non-equilibrium plasmas. For example, it can be important if there is a rapid change in the electron temperature, as in solar flares or in nanoflare coronal heating. EIMI is also likely to be significant when the electron energy distribution is non-thermal, such as if the electrons follow a kappa distribution. Cross sections for EIMI are needed in order to account for these processes in plasma modeling and for spectroscopic interpretation. Here, we describe our comparison of proposed semiempirical formulae to the available experimental EIMI cross section data. Based on this comparison, we have interpolated and extrapolated fitting parameters to systems that have not yet been measured. A tabulation of the fit parameters is provided for thousands of EIMI cross sections. We also highlight some outstanding issues that remain to be resolved.

Three-dimensional MHD (magnetohydrodynamic) flows in rectangular ducts of liquid-metal-cooled blankets

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

Hua, T.Q.; Walker, J.S.; Picologlou, B.F.

1988-07-01

Magnetohydrodynamic flows of liquid metals in rectangular ducts with thin conducting walls in the presence of strong nonuniform transverse magnetic fields are examined. The interaction parameter and Hartmann number are assumed to be large, whereas the magnetic Reynolds number is assumed to be small. Under these assumptions, viscous and inertial effects are confined in very thin boundary layers adjacent to the walls. A significant fraction of the fluid flow is concentrated in the boundary layers adjacent to the side walls which are parallel to the magnetic field. This paper describes the analysis and numerical methods for obtaining 3-D solutions formore » flow parameters outside these layers, without solving explicitly for the layers themselves. Numerical solutions are presented for cases which are relevant to the flows of liquid metals in fusion reactor blankets. Experimental results obtained from the ALEX experiments at Argonne National Laboratory are used to validate the numerical code. In general, the agreement is excellent. 5 refs., 14 figs.« less

Chameleon dark energy models with characteristic signatures

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

Gannouji, Radouane; Department of Physics, Faculty of Science, Tokyo University of Science, 1-3, Kagurazaka, Shinjuku-ku, Tokyo 162-8601; Moraes, Bruno

2010-12-15

In chameleon dark energy models, local gravity constraints tend to rule out parameters in which observable cosmological signatures can be found. We study viable chameleon potentials consistent with a number of recent observational and experimental bounds. A novel chameleon field potential, motivated by f(R) gravity, is constructed where observable cosmological signatures are present both at the background evolution and in the growth rate of the perturbations. We study the evolution of matter density perturbations on low redshifts for this potential and show that the growth index today {gamma}{sub 0} can have significant dispersion on scales relevant for large scale structures.more » The values of {gamma}{sub 0} can be even smaller than 0.2 with large variations of {gamma} on very low redshifts for the model parameters constrained by local gravity tests. This gives a possibility to clearly distinguish these chameleon models from the {Lambda}-cold-dark-matter ({Lambda}CDM) model in future high-precision observations.« less

Transient Mobility on Submonolayer Island Growth: An Exploration of Asymptotic Effects in Modeling

NASA Astrophysics Data System (ADS)

Morales-Cifuentes, Josue; Einstein, Theodore L.; Pimpinelli, Alberto

In studies of epitaxial growth, modeling of the smallest stable cluster (i+1 monomers, with i the critical nucleus size), is paramount in understanding growth dynamics. Our previous work has tackled submonolayer growth by modeling the effect of ballistic monomers, hot-precursors, on diffusive dynamics. Different scaling regimes and energies were predicted, with initial confirmation by applying to para-hexaphenyl submonolayer studies. Lingering questions about the applicability and behavior of the model are addressed. First, we show how an asymptotic approximation based on the growth exponent, α (N Fα) allows for robustness of modeling to experimental data; second, we answer questions about non-monotonicity by exploring the behavior of the growth exponent across realizable parameter spaces; third, we revisit our previous para-hexaphenyl work and examine relevant physical parameters, namely the speed of the hot-monomers. We conclude with an exploration of how the new asymptotic approximation can be used to strengthen the application of our model to other physical systems.

Scaling and Systems Considerations in Pulsed Inductive Thrusters

NASA Technical Reports Server (NTRS)

Polzin, Kurt A.

2007-01-01

Performance scaling in pulsed inductive thrusters is discussed in the context of previous experimental studies and modeling results. Two processes, propellant ionization and acceleration, are interconnected where overall thruster performance and operation are concerned, but they are separated here to gain physical insight into each process and arrive at quantitative criteria that should be met to address or mitigate inherent inductive thruster difficulties. The effects of preionization in lowering the discharge energy requirements relative to a case where no preionization is employed, and in influencing the location of the initial current sheet, are described. The relevant performance scaling parameters for the acceleration stage are reviewed, emphasizing their physical importance and the numerical values required for efficient acceleration. The scaling parameters are then related to the design of the pulsed power train providing current to the acceleration stage. The impact of various choices in pulsed power train and circuit topology selection are reviewed, paying special attention to how these choices mitigate or exacerbate switching, lifetime, and power consumption issues.

Tool geometry and damage mechanisms influencing CNC turning efficiency of Ti6Al4V

NASA Astrophysics Data System (ADS)

Suresh, Sangeeth; Hamid, Darulihsan Abdul; Yazid, M. Z. A.; Nasuha, Nurdiyanah; Ain, Siti Nurul

2017-12-01

Ti6Al4V or Grade 5 titanium alloy is widely used in the aerospace, medical, automotive and fabrication industries, due to its distinctive combination of mechanical and physical properties. Ti6Al4V has always been perverse during its machining, strangely due to the same mix of properties mentioned earlier. Ti6Al4V machining has resulted in shorter cutting tool life which has led to objectionable surface integrity and rapid failure of the parts machined. However, the proven functional relevance of this material has prompted extensive research in the optimization of machine parameters and cutting tool characteristics. Cutting tool geometry plays a vital role in ensuring dimensional and geometric accuracy in machined parts. In this study, an experimental investigation is actualized to optimize the nose radius and relief angles of the cutting tools and their interaction to different levels of machining parameters. Low elastic modulus and thermal conductivity of Ti6Al4V contribute to the rapid tool damage. The impact of these properties over the tool tips damage is studied. An experimental design approach is utilized in the CNC turning process of Ti6Al4V to statistically analyze and propose optimum levels of input parameters to lengthen the tool life and enhance surface characteristics of the machined parts. A greater tool nose radius with a straight flank, combined with low feed rates have resulted in a desirable surface integrity. The presence of relief angle has proven to aggravate tool damage and also dimensional instability in the CNC turning of Ti6Al4V.

Multisite Ion Model in Concentrated Solutions of Divalent Cations (MgCl2 and CaCl2): Osmotic Pressure Calculations

PubMed Central

2015-01-01

Accurate force field parameters for ions are essential for meaningful simulation studies of proteins and nucleic acids. Currently accepted models of ions, especially for divalent ions, do not necessarily reproduce the right physiological behavior of Ca2+ and Mg2+ ions. Saxena and Sept (J. Chem. Theor. Comput.2013, 9, 3538–3542) described a model, called the multisite-ion model, where instead of treating the ions as an isolated sphere, the charge was split into multiple sites with partial charge. This model provided accurate inner shell coordination of the ion with biomolecules and predicted better free energies for proteins and nucleic acids. Here, we expand and refine the multisite model to describe the behavior of divalent ions in concentrated MgCl2 and CaCl2 electrolyte solutions, eliminating the unusual ion–ion pairing and clustering of ions which occurred in the original model. We calibrate and improve the parameters of the multisite model by matching the osmotic pressure of concentrated solutions of MgCl2 to the experimental values and then use these parameters to test the behavior of CaCl2 solutions. We find that the concentrated solutions of both divalent ions exhibit the experimentally observed behavior with correct osmotic pressure, the presence of solvent separated ion pairs instead of direct ion pairs, and no aggregation of ions. The improved multisite model for (Mg2+ and Ca2+) can be used in classical simulations of biomolecules at physiologically relevant salt concentrations. PMID:25482831

Experimental And Numerical Investigation Of Aerothermal Characteristics Of The IXV Hypersonic Vehicle

NASA Astrophysics Data System (ADS)

Paris, S.; Charbonnier, D.; Tran, D.

2011-05-01

The main results of the aerothermodynamic hypersonic characterization of Intermediate eXperimental Vehicle (IXV), by means of both CFD simulations and wind tunnel measurements, have been reported and analyzed. In the framework of ESA FLPP Program, the VKI (Von Karman Institute) was in charge of an experimental test campaign for the consolidation of the aerothermal database in cold hypersonic regime. The tests campaign has been carried out at VKI Free Piston Longshot wind tunnel at mach 14. The numerical simulations have been performed for VKI wind tunnel conditions by CFSE with the in-house NSMB flow solver (Navier-Stokes Multi-Blocks 3D), the goal being to support the procedure of extrapolation-to-flight of the measurements and the general aerothermal characterization. Laminar, transitional and fully turbulent flows have been computed, with air considered as an ideal gas, for the wind tunnel tests numerical rebuilding. A detailed comparison of all measured and predicted hypersonic relevant phenomena and parameters (surface pressure and heat flux) is reported in the paper, together with a detailed description of configuration, freestream conditions, model attitude effects and flap deflection effect. The detailed analyze of the experimental and numerical data gives information on the nature of the flow on the body and on the flaps for the most critical configuration

Spin-orbit interaction driven dimerization in one dimensional frustrated magnets

NASA Astrophysics Data System (ADS)

Zhang, Shang-Shun; Batista, Cristian D.

Spin nematic ordering has been proposed to emerge near the saturation of field of a class of frustrated magnets. The experimental observation of this novel phase is challenging for the traditional experimental probes. Nematic spin ordering is expected to induce a local quadrupolar electric moment via the spin-orbit coupling. However, a finite spin-orbit interaction explicitly breaks the U(1) symmetry of global spin rotations down to Z2, which renders the traditional nematic order no longer well-defined. In this work we investigate the relevant effect of spin-orbit interaction on the 1D frustrated J1 -J2 model. The real and the imaginary parts of the nematic order parameter belong to different representations of the discrete symmetry group of the new Hamiltonian. We demonstrate that spin-orbit coupling stabilizes the real component and simultaneously induces bond dimerization in most of the phase diagram. Such a bond dimerization can be observed with X-rays or nuclear magnetic resonance. In addition, an incommensurate bond-density wave (ICBDW) appears for smaller values of J2 / |J1 | . The experimental fingerprint of the ICBDW is a double-horn shape of the the NMR line. These conclusions can shed light on the experimental search of this novel phase.

Critical overview of all available animal models for abdominal wall hernia research.

PubMed

Vogels, R R M; Kaufmann, R; van den Hil, L C L; van Steensel, S; Schreinemacher, M H F; Lange, J F; Bouvy, N D

2017-10-01

Since the introduction of the first prosthetic mesh for abdominal hernia repair, there has been a search for the "ideal mesh." The use of preclinical or animal models for assessment of necessary characteristics of new and existing meshes is an indispensable part of hernia research. Unfortunately, in our experience there is a lack of consensus among different research groups on which model to use. Therefore, we hypothesized that there is a lack of comparability within published animal research on hernia surgery due to wide range in experimental setup among different research groups. A systematic search of the literature was performed to provide a complete overview of all animal models published between 2000 and 2014. Relevant parameters on model characteristics and outcome measurement were scored on a standardized scoring sheet. Due to the wide range in different animals used, ranging from large animal models like pigs to rodents, we decided to limit the study to 168 articles concerning rat models. Within these rat models, we found wide range of baseline animal characteristics, operation techniques, and outcome measurements. Making reliable comparison of results among these studies is impossible. There is a lack of comparability among experimental hernia research, limiting the impact of this experimental research. We therefore propose the establishment of guidelines for experimental hernia research by the EHS.

Optimal design and experimental validation of a simulated moving bed chromatography for continuous recovery of formic acid in a model mixture of three organic acids from Actinobacillus bacteria fermentation.

PubMed

Park, Chanhun; Nam, Hee-Geun; Lee, Ki Bong; Mun, Sungyong

2014-10-24

The economically-efficient separation of formic acid from acetic acid and succinic acid has been a key issue in the production of formic acid with the Actinobacillus bacteria fermentation. To address this issue, an optimal three-zone simulated moving bed (SMB) chromatography for continuous separation of formic acid from acetic acid and succinic acid was developed in this study. As a first step for this task, the adsorption isotherm and mass-transfer parameters of each organic acid on the qualified adsorbent (Amberchrom-CG300C) were determined through a series of multiple frontal experiments. The determined parameters were then used in optimizing the SMB process for the considered separation. During such optimization, the additional investigation for selecting a proper SMB port configuration, which could be more advantageous for attaining better process performances, was carried out between two possible configurations. It was found that if the properly selected port configuration was adopted in the SMB of interest, the throughout and the formic-acid product concentration could be increased by 82% and 181% respectively. Finally, the optimized SMB process based on the properly selected port configuration was tested experimentally using a self-assembled SMB unit with three zones. The SMB experimental results and the relevant computer simulation verified that the developed process in this study was successful in continuous recovery of formic acid from a ternary organic-acid mixture of interest with high throughput, high purity, high yield, and high product concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

Thermodynamic properties for applications in chemical industry via classical force fields.

PubMed

Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

2012-01-01

Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

Sorption isotherm and kinetic modeling of aniline on Cr-bentonite.

PubMed

Zheng, Hong; Liu, Donghong; Zheng, Yan; Liang, Shuping; Liu, Zhe

2009-08-15

In this paper, the sorption characteristics of aniline on Cr-bentonite prepared using synthetic wastewater containing chromium was investigated in a batch system at 30 degrees C. The effects of relevant parameters, such as pH value of solution, adsorbent dosage and initial aniline concentration were examined. The experimental data were analyzed by the Langmuir and Freundlich, and Temkin models of sorption. The sorption isotherm data were fitted well to Langmuir isotherm and the monolayer sorption capacity was found to be 21.60 mg/g at 30 degrees C. Dubinin-Redushkevich (D-R) isotherm was applied to describe the nature of aniline uptake and it was found that it occurred chemically. The kinetic data obtained at different concentrations were analyzed using a pseudo first-order, pseudo second-order kinetic equation and intraparticle diffusion model. The experimental data fitted very well the pseudo second-order kinetic model. Intraparticle diffusion affects aniline uptake. The results indicate that there is significant potential for Cr-bentonite as an adsorbent material for aniline removal from aqueous solutions.

High-order dispersion effects in two-photon interference

NASA Astrophysics Data System (ADS)

Mazzotta, Zeudi; Cialdi, Simone; Cipriani, Daniele; Olivares, Stefano; Paris, Matteo G. A.

2016-12-01

Two-photon interference and Hong-Ou-Mandel (HOM) effect are relevant tools for quantum metrology and quantum information processing. In optical coherence tomography, the HOM effect is exploited to achieve high-resolution measurements with the width of the HOM dip being the main parameter. On the other hand, applications like dense coding require high-visibility performance. Here we address high-order dispersion effects in two-photon interference and study, theoretically and experimentally, the dependence of the visibility and the width of the HOM dip on both the pump spectrum and the downconverted photon spectrum. In particular, a spatial light modulator is exploited to experimentally introduce and manipulate a custom phase function to simulate the high-order dispersion effects. Overall, we show that it is possible to effectively introduce high-order dispersion effects on the propagation of photons and also to compensate for such effect. Our results clarify the role of the different dispersion phenomena and pave the way for optimization procedures in quantum technological applications involving PDC photons and optical fibers.

Grain shape influence on semiconducting metal oxide based gas sensor performance: modeling versus experiment.

PubMed

Rebholz, Julia; Bonanati, Peter; Weimar, Udo; Barsan, Nicolae

2014-06-01

A model for sensing with semiconducting metal oxide (SMOX)-based gas sensors was developed which takes the effect of the shape of the grains in the sensing layers into account. Its validity is limited to materials in which the grains of the SMOX sensing layer are large enough to have an undepleted bulk region (large grains). This means that in all experimental conditions, the SMOX properties ensure that the influence of surface phenomena is not extended to the whole grain. The model takes the surface chemistry and its impact on the electrical properties of the sensing material into consideration. In this way, it relates the sensor signal--defined as the relative change of the sensor's conductance--directly to the concentration of the target gas and also exhibits meaningful chemical parameters, such as the type of reactive oxygen species, the reaction constants, and the concentration of adsorption sites. The validity of the model is confirmed experimentally by applying it to data gathered by measuring homemade sensors in relevant conditions.

Model for amorphous aggregation processes

NASA Astrophysics Data System (ADS)

Stranks, Samuel D.; Ecroyd, Heath; van Sluyter, Steven; Waters, Elizabeth J.; Carver, John A.; von Smekal, Lorenz

2009-11-01

The amorphous aggregation of proteins is associated with many phenomena, ranging from the formation of protein wine haze to the development of cataract in the eye lens and the precipitation of recombinant proteins during their expression and purification. While much literature exists describing models for linear protein aggregation, such as amyloid fibril formation, there are few reports of models which address amorphous aggregation. Here, we propose a model to describe the amorphous aggregation of proteins which is also more widely applicable to other situations where a similar process occurs, such as in the formation of colloids and nanoclusters. As first applications of the model, we have tested it against experimental turbidimetry data of three proteins relevant to the wine industry and biochemistry, namely, thaumatin, a thaumatinlike protein, and α -lactalbumin. The model is very robust and describes amorphous experimental data to a high degree of accuracy. Details about the aggregation process, such as shape parameters of the aggregates and rate constants, can also be extracted.

Generalized Knudsen Number for Oscillatory Flows Generated by MEMS and NEMS Resonators

NASA Astrophysics Data System (ADS)

Ekinci, Kamil; Kara, Vural; Yakhot, Victor

2017-11-01

We have explored the scaling behavior of oscillatory flows that are generated by the oscillations of MEMS and NEMS resonators in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect; or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimensions and the frequencies of the MEMS and NEMS resonators, we experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the linear dimension and the frequency of each resonator. This proposed Knudsen number for oscillatory flows is rooted in a fundamental symmetry principle, namely Galilean invariance. We acknowledge support from US NSF through Grant No. CBET-1604075.

Theoretical Investigation of Kinetic Processes in Small Radicals of Importance in Combustion

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

Alexander, Millard; Dagdigian, Paul J.

Our group studies inelastic and reactive collisions of small molecules, focusing on radicals important in combustion environments. The goal is the better understanding of kinetic processes that may be difficult to access experimentally. An essential component is the accurate determination and fitting of potential energy surfaces (PESs). After fitting the ab initio points to obtain global PESs, we treat the dynamics using time-independent (close-coupling) methods. Cross sections and rate constants for collisions of are determined with our Hibridon program suite . We have studied energy transfer (rotationally, vibrationally, and/or electronically inelastic) in small hydrocarbon radicals (CH 2 and CH 3)more » and the CN radical. We have made a comparison with experimental measurements of relevant rate constants for collisions of these radicals. Also, we have calculated accurate transport properties using state-of-the-art PESs and to investigate the sensitivity to these parameters in 1-dimensional flame simulations. Of particular interest are collision pairs involving the light H atom.« less

Anomalous acoustic dispersion in architected microlattice metamaterials

NASA Astrophysics Data System (ADS)

KröDel, Sebastian; Palermo, Antonio; Daraio, Chiara

The ability to control dispersion in acoustic metamaterials is crucial to realize acoustic filtering and rectification devices as well as perfect imaging using negative refractive index materials. Architected microlattice metamaterials immersed in fluid constitute a versatile platform for achieving such control. We investigate architected microlattice materials able to exploit locally resonant modes of their fundamental building blocks that couple with propagating acoustic waves. Using analytical, numerical and experimental methods we find that such lattice materials show a hybrid dispersion behavior governed by Biot's theory for long wavelengths and multiple scattering theory when wave frequency is close to the resonances of the building block. We identify the relevant geometric parameters to alter and control the group and phase velocities in this class of acoustic metamaterials. Furthermore, we fabricate small-scale acoustic metamaterial samples using high precision SLA additive manufacturing and test the resulting materials experimentally using a customized ultrasonic setup. This work paves the way for new acoustic devices based on microlattice metamaterials.

Direct and full-scale experimental verifications towards ground-satellite quantum key distribution

NASA Astrophysics Data System (ADS)

Wang, Jian-Yu; Yang, Bin; Liao, Sheng-Kai; Zhang, Liang; Shen, Qi; Hu, Xiao-Fang; Wu, Jin-Cai; Yang, Shi-Ji; Jiang, Hao; Tang, Yan-Lin; Zhong, Bo; Liang, Hao; Liu, Wei-Yue; Hu, Yi-Hua; Huang, Yong-Mei; Qi, Bo; Ren, Ji-Gang; Pan, Ge-Sheng; Yin, Juan; Jia, Jian-Jun; Chen, Yu-Ao; Chen, Kai; Peng, Cheng-Zhi; Pan, Jian-Wei

2013-05-01

Quantum key distribution (QKD) provides the only intrinsically unconditional secure method for communication based on the principle of quantum mechanics. Compared with fibre-based demonstrations, free-space links could provide the most appealing solution for communication over much larger distances. Despite significant efforts, all realizations to date rely on stationary sites. Experimental verifications are therefore extremely crucial for applications to a typical low Earth orbit satellite. To achieve direct and full-scale verifications of our set-up, we have carried out three independent experiments with a decoy-state QKD system, and overcome all conditions. The system is operated on a moving platform (using a turntable), on a floating platform (using a hot-air balloon), and with a high-loss channel to demonstrate performances under conditions of rapid motion, attitude change, vibration, random movement of satellites, and a high-loss regime. The experiments address wide ranges of all leading parameters relevant to low Earth orbit satellites. Our results pave the way towards ground-satellite QKD and a global quantum communication network.

Real Spin Glasses Relax Slowly in the Shade of Hierarchical Trees

NASA Astrophysics Data System (ADS)

Vincent, E.; Hammann, J.; Ocio, M.

2009-06-01

The Parisi solution of the mean-field spin glass has been widely accepted and celebrated. Its marginal stability in 3d and its complexity however raised the question of its relevance to real spin glasses. This paper gives a short overview of the important experimental results which could be understood within the mean-field solution. The existence of a true phase transition and the particular behaviour of the susceptibility below the freezing temperature, predicted by the theory, are clearly confirmed by the experimental results. The behaviour of the complex order parameter and of the Fluctuation Dissipation ratio are in good agreement with results of spontaneous noise measurements. The very particular ultrametric symmetry, the key feature of the theory, provided us with a simple description of the rejuvenation and memory effects observed in experiment. Finally, going a step beyond mean-field, the paper shortly discusses new analyses in terms of correlated domains characterized by their length scales, as well as new experiments on superspin glasses which compare well with recent theoretical simulations.

NIMROD simulations of the IPA FRC experiment

NASA Astrophysics Data System (ADS)

Milroy, Richard

2015-11-01

The IPA experiment created a high temperature plasma by merging and compressing supersonic θ-pinch formed FRCs. The NIMROD code has been used to simulate this process. These calculations include the θ-pinch formation and acceleration of two FRC's using the dynamic formation methodology, and their translation to a central compression chamber where they merge and are magnetically compressed. Transport coefficients have been tuned so simulation results agree well with experimental observation. The inclusion of the Hall term is essential for the FRCs merge quickly, as observed experimentally through the excluded flux profiles. The inclusion of a significant anisotropic viscosity is required for the excluded flux profiles to agree well with the experiment. We plan to extend this validation work using the new ARPA-E funded Venti experiment at Helion Energy in Redmond WA. This will be a very well diagnosed experiment where two FRCs merge (like the IPA experiment) and are then compressed to near-fusion conditions. Preliminary calculations with parameters relevant to this experiment have been made, and some numerical issues identified.

Enhancing efficiency and quality of statistical estimation of immunogenicity assay cut points through standardization and automation.

PubMed

Su, Cheng; Zhou, Lei; Hu, Zheng; Weng, Winnie; Subramani, Jayanthi; Tadkod, Vineet; Hamilton, Kortney; Bautista, Ami; Wu, Yu; Chirmule, Narendra; Zhong, Zhandong Don

2015-10-01

Biotherapeutics can elicit immune responses, which can alter the exposure, safety, and efficacy of the therapeutics. A well-designed and robust bioanalytical method is critical for the detection and characterization of relevant anti-drug antibody (ADA) and the success of an immunogenicity study. As a fundamental criterion in immunogenicity testing, assay cut points need to be statistically established with a risk-based approach to reduce subjectivity. This manuscript describes the development of a validated, web-based, multi-tier customized assay statistical tool (CAST) for assessing cut points of ADA assays. The tool provides an intuitive web interface that allows users to import experimental data generated from a standardized experimental design, select the assay factors, run the standardized analysis algorithms, and generate tables, figures, and listings (TFL). It allows bioanalytical scientists to perform complex statistical analysis at a click of the button to produce reliable assay parameters in support of immunogenicity studies. Copyright © 2015 Elsevier B.V. All rights reserved.

Glass transition of charged particles in two-dimensional confinement.

PubMed

Yazdi, Anoosheh; Heinen, Marco; Ivlev, Alexei; Löwen, Hartmut; Sperl, Matthias

2015-05-01

The glass transition of mesoscopic charged particles in two-dimensional confinement is studied by mode-coupling theory. We consider two types of effective interactions between the particles, corresponding to two different models for the distribution of surrounding ions that are integrated out in coarse-grained descriptions. In the first model, a planar monolayer of charged particles is immersed in an unbounded isotropic bath of ions, giving rise to an isotropically screened Debye-Hückel (Yukawa)-type effective interaction. The second, experimentally more relevant system is a monolayer of negatively charged particles that levitate atop a flat horizontal electrode, as frequently encountered in laboratory experiments with complex (dusty) plasmas. A steady plasma current toward the electrode gives rise to an anisotropic effective interaction potential between the particles, with an algebraically long-ranged in-plane decay. In a comprehensive parameter scan that covers the typical range of experimentally accessible plasma conditions, we calculate and compare the mode-coupling predictions for the glass transition in both kinds of systems.

Experimental studies of interactions between Alfv'en waves and striated density depletions in the LAPD

NASA Astrophysics Data System (ADS)

Auerbach, D. W.; Carter, T. A.; Vincena, S.

2008-11-01

Satellite measurements in the earth's magnetosphere have associated Alfv'en frequency fluctuations with density depletions striated along the geomagnetic field. This poster presents laboratory studies in the LADP experiment at UCLA modeling this phenomena. Density depletions are pre-formed in the plasma column by selectively blocking a portion of the drive beam, and Alfv'en waves are driven in the cavity by means of an inserted antenna. Relevant experimental parameters include an ion cyclotron radius around a mm, alfven parallel wavelength several meters, electron inertial length around 6 mm, and electron thermal speeds about a third of the alfv'en speed. We report here on modifications to the wave propagation due to the density depletion. We also report on the details of the interactions between the driven wave and the secondary drift-alfv'en wave instabilities that arise on the density boundary, including wave-wave interactions and possible turbulent broadening effects on the main wave.

Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system

DOE PAGES

Gheno, Thomas; Liu, Xuan L.; Lindwall, Greta; ...

2015-09-21

In this study, a thermodynamic database for the Al–Co–Cr–Ni system is built via the Calphad method by extrapolating re-assessed ternary subsystems. A minimum number of quaternary parameters are included, which are optimized using experimental phase equilibrium data obtained by electron probe micro-analysis and x-ray diffraction analysis of NiCoCrAlY alloys spanning a wide compositional range, after annealing at 900 °C, 1100 °C and 1200 °C, and water quenching. These temperatures are relevant to oxidation and corrosion resistant MCrAlY coatings, where M corresponds to some combination of nickel and cobalt. Comparisons of calculated and measured phase compositions show excellent agreement for themore » β–γ equilibrium, and good agreement for three-phase β–γ–σ and β–γ–α equilibria. An extensive comparison with existing Ni-base databases (TCNI6, TTNI8, NIST) is presented in terms of phase compositions.« less

Elasto-capillarity in insect fibrillar adhesion.

PubMed

Gernay, Sophie; Federle, Walter; Lambert, Pierre; Gilet, Tristan

2016-08-01

The manipulation of microscopic objects is challenging because of high adhesion forces, which render macroscopic gripping strategies unsuitable. Adhesive footpads of climbing insects could reveal principles relevant for micro-grippers, as they are able to attach and detach rapidly during locomotion. However, the underlying mechanisms are still not fully understood. In this work, we characterize the geometry and contact formation of the adhesive setae of dock beetles (Gastrophysa viridula) by interference reflection microscopy. We compare our experimental results to the model of an elastic beam loaded with capillary forces. Fitting the model to experimental data yielded not only estimates for seta adhesion and compliance in agreement with previous direct measurements, but also previously unknown parameters such as the volume of the fluid meniscus and the bending stiffness of the tip. In addition to confirming the primary role of surface tension for insect adhesion, our investigation reveals marked differences in geometry and compliance between the three main kinds of seta tips in leaf beetles. © 2016 The Author(s).

A parameter optimization tool for evaluating the physical consistency of the plot-scale water budget of the integrated eco-hydrological model GEOtop in complex terrain

NASA Astrophysics Data System (ADS)

Bertoldi, Giacomo; Cordano, Emanuele; Brenner, Johannes; Senoner, Samuel; Della Chiesa, Stefano; Niedrist, Georg

2017-04-01

In mountain regions, the plot- and catchment-scale water and energy budgets are controlled by a complex interplay of different abiotic (i.e. topography, geology, climate) and biotic (i.e. vegetation, land management) controlling factors. When integrated, physically-based eco-hydrological models are used in mountain areas, there are a large number of parameters, topographic and boundary conditions that need to be chosen. However, data on soil and land-cover properties are relatively scarce and do not reflect the strong variability at the local scale. For this reason, tools for uncertainty quantification and optimal parameters identification are essential not only to improve model performances, but also to identify most relevant parameters to be measured in the field and to evaluate the impact of different assumptions for topographic and boundary conditions (surface, lateral and subsurface water and energy fluxes), which are usually unknown. In this contribution, we present the results of a sensitivity analysis exercise for a set of 20 experimental stations located in the Italian Alps, representative of different conditions in terms of topography (elevation, slope, aspect), land use (pastures, meadows, and apple orchards), soil type and groundwater influence. Besides micrometeorological parameters, each station provides soil water content at different depths, and in three stations (one for each land cover) eddy covariance fluxes. The aims of this work are: (I) To present an approach for improving calibration of plot-scale soil moisture and evapotranspiration (ET). (II) To identify the most sensitive parameters and relevant factors controlling temporal and spatial differences among sites. (III) Identify possible model structural deficiencies or uncertainties in boundary conditions. Simulations have been performed with the GEOtop 2.0 model, which is a physically-based, fully distributed integrated eco-hydrological model that has been specifically designed for mountain regions, since it considers the effect of topography on radiation and water fluxes and integrates a snow module. A new automatic sensitivity and optimization tool based on the Particle Swarm Optimization theory has been developed, available as R package on https://github.com/EURAC-Ecohydro/geotopOptim2. The model, once calibrated for soil and vegetation parameters, predicts the plot-scale temporal SMC dynamics of SMC and ET with a RMSE of about 0.05 m3/m3 and 40 W/m2, respectively. However, the model tends to underestimate ET during summer months over apple orchards. Results show how most sensitive parameters are both soil and canopy structural properties. However, ranking is affected by the choice of the target function and local topographic conditions. In particular, local slope/aspect influences results in stations located over hillslopes, but with marked seasonal differences. Results for locations in the valley floor are strongly controlled by the choice of the bottom water flux boundary condition. The poorer model performances in simulating ET over apple orchards could be explained by a model structural deficiency in representing the stomatal control on vapor pressure deficit for this particular type of vegetation. The results of this sensitivity could be extended to other physically distributed models, and also provide valuable insights for optimizing new experimental designs.

Linking 1D coastal ocean modelling to environmental management: an ensemble approach

NASA Astrophysics Data System (ADS)

Mussap, Giulia; Zavatarelli, Marco; Pinardi, Nadia

2017-12-01

The use of a one-dimensional interdisciplinary numerical model of the coastal ocean as a tool contributing to the formulation of ecosystem-based management (EBM) is explored. The focus is on the definition of an experimental design based on ensemble simulations, integrating variability linked to scenarios (characterised by changes in the system forcing) and to the concurrent variation of selected, and poorly constrained, model parameters. The modelling system used was previously specifically designed for the use in "data-rich" areas, so that horizontal dynamics can be resolved by a diagnostic approach and external inputs can be parameterised by nudging schemes properly calibrated. Ensembles determined by changes in the simulated environmental (physical and biogeochemical) dynamics, under joint forcing and parameterisation variations, highlight the uncertainties associated to the application of specific scenarios that are relevant to EBM, providing an assessment of the reliability of the predicted changes. The work has been carried out by implementing the coupled modelling system BFM-POM1D in an area of Gulf of Trieste (northern Adriatic Sea), considered homogeneous from the point of view of hydrological properties, and forcing it by changing climatic (warming) and anthropogenic (reduction of the land-based nutrient input) pressure. Model parameters affected by considerable uncertainties (due to the lack of relevant observations) were varied jointly with the scenarios of change. The resulting large set of ensemble simulations provided a general estimation of the model uncertainties related to the joint variation of pressures and model parameters. The information of the model result variability aimed at conveying efficiently and comprehensibly the information on the uncertainties/reliability of the model results to non-technical EBM planners and stakeholders, in order to have the model-based information effectively contributing to EBM.

Experimental investigation of moving surfaces for boundary layer and circulation control of airfoils and wings

NASA Astrophysics Data System (ADS)

Vets, Robert

An experimental study was conducted to assess the application of a moving surface to affect boundary layers and circulation around airfoils for the purpose of altering and enhancing aerodynamic performance of finite wings at moderate Reynolds numbers. The moving surface was established by a wide, lightweight, nylon belt that enveloped a wing's symmetric airfoil profile articulated via a friction drive cylinder such that the direction of the upper surface was in the direction of the free stream. A water tunnel visualization study accompanied wind tunnel testing at the University of Washington, Kirsten Wind Tunnel of finite wings. An experimental study was conducted to assess the application of a moving surface to affect boundary layers and circulation around airfoils for the purpose of altering and enhancing aerodynamic performance of finite wings at moderate Reynolds numbers. The moving surface was established by a wide, lightweight, nylon belt that enveloped a wing's symmetric airfoil profile articulated via a friction drive cylinder such that the direction of the upper surface was in the direction of the free stream. A water tunnel visualization study accompanied wind tunnel testing at the University of Washington, Kirsten Wind Tunnel of finite wings. The defining non-dimensional parameter for the system is the ratio of the surface velocity to the free stream velocity, us/Uo. Results show a general increase in lift with increasing us/Uo. The endurance parameter served as an additional metric for the system's performance. Examining the results of the endurance parameter shows general increase in endurance and lift with the moving surface activated. Peak performance in terms of increased endurance along with increased lift occurs at or slightly above us/Uo = 1. Water tunnel visualization showed a marked difference in the downwash for velocity ratios greater than 1, supporting the measured data. Reynolds numbers for this investigation were 1.9E5 and 4.3E5, relevant to the class of fixed wing, Tier-1, Unmanned Aerial Vehicles (UAV).

New conducted electrical weapons: Electrical safety relative to relevant standards.

PubMed

Panescu, Dorin; Nerheim, Max; Kroll, Mark W; Brave, Michael A

2017-07-01

We have previously published about TASER ® conducted electrical weapons (CEW) compliance with international standards. CEWs deliver electrical pulses that can inhibit a person's neuromuscular control or temporarily incapacitate. An eXperimental Rotating-Field (XRF) waveform CEW and the X2 CEW are new 2-shot electrical weapon models designed to target a precise amount of delivered charge per pulse. They both can deploy 1 or 2 dart pairs, delivered by 2 separate cartridges. Additionally, the XRF controls delivery of incapacitating pulses over 4 field vectors, in a rotating sequence. As in our previous study, we were motivated by the need to understand the cardiac safety profile of these new CEWs. The goal of this paper is to analyze the nominal electrical outputs of TASER XRF and X2 CEWs in reference to provisions of all relevant international standards that specify safety requirements for electrical medical devices and electrical fences. Although these standards do not specifically mention CEWs, they are the closest electrical safety standards and hence give very relevant guidance. The outputs of several TASER XRF and X2 CEWs were measured under normal operating conditions. The measurements were compared against manufacturer specifications. CEWs electrical output parameters were reviewed against relevant safety requirements of UL 69, IEC 60335-2-76 Ed 2.1, IEC 60479-1, IEC 60479-2, AS/NZS 60479.1, AS/NZS 60479.2, IEC 60601-1 and BS EN 60601-1. Our study confirmed that the nominal electrical outputs of TASER XRF and X2 CEWs lie within safety bounds specified by relevant standards.

Simulation of multi-element multispectral UV radiation source for optical-electronic system of minerals luminescence analysis

NASA Astrophysics Data System (ADS)

Peretyagin, Vladimir S.; Korolev, Timofey K.; Chertov, Aleksandr N.

2017-02-01

The problems of dressability the solid minerals are attracted attention of specialists, where the extraction of mineral raw materials is a significant sector of the economy. There are a significant amount of mineral ore dressability methods. At the moment the radiometric dressability methods are considered the most promising. One of radiometric methods is method photoluminescence. This method is based on the spectral analysis, amplitude and kinetic parameters luminescence of minerals (under UV radiation), as well as color parameters of radiation. The absence of developed scientific and methodological approaches of analysis irradiation area to UV radiation as well as absence the relevant radiation sources are the factors which hinder development and use of photoluminescence method. The present work is devoted to the development of multi-element UV radiation source designed for the solution problem of analysis and sorting minerals by their selective luminescence. This article is presented a method of theoretical modeling of the radiation devices based on UV LEDs. The models consider such factors as spectral component, the spatial and energy parameters of the LEDs. Also, this article is presented the results of experimental studies of the some samples minerals.

Sleep mechanisms: Sleep deprivation and detection of changing levels of consciousness

NASA Technical Reports Server (NTRS)

Dement, W. C.; Barchas, J. D.

1972-01-01

An attempt was made to obtain information relevant to assessing the need to sleep and make up for lost sleep. Physiological and behavioral parameters were used as measuring parameters. Sleep deprivation in a restricted environment, derivation of data relevant to determining sleepiness from EEG, and the development of the Sanford Sleepiness Scale were discussed.

Experimental data filtration algorithm

NASA Astrophysics Data System (ADS)

Oanta, E.; Tamas, R.; Danisor, A.

2017-08-01

Experimental data reduction is an important topic because the resulting information is used to calibrate the theoretical models and to verify the accuracy of their results. The paper presents some ideas used to extract a subset of points from the initial set of points which defines an experimentally acquired curve. The objective is to get a subset with significantly fewer points as the initial data set and which accurately defines a smooth curve that preserves the shape of the initial curve. Being a general study we used only data filtering criteria based geometric features that at a later stage may be related to upper level conditions specific to the phenomenon under investigation. Five algorithms were conceived and implemented in an original software consisting of more than 1800 computer code lines which has a flexible structure that allows us to easily update it using new algorithms. The software instrument was used to process the data of several case studies. Conclusions are drawn regarding the values of the parameters used in the algorithms to decide if a series of points may be considered either noise, or a relevant part of the curve. Being a general analysis, the result is a computer based trial-and-error method that efficiently solves this kind of problems.

Experiments on water detritiation and cryogenic distillation at TLK; Impact on ITER fuel cycle subsystems interfaces

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

Cristescu, I.; Cristescu, I. R.; Doerr, L.

2008-07-15

The ITER Isotope Separation System (ISS) and Water Detritiation System (WDS) should be integrated in order to reduce potential chronic tritium emissions from the ISS. This is achieved by routing the top (protium) product from the ISS to a feed point near the bottom end of the WDS Liquid Phase Catalytic Exchange (LPCE) column. This provides an additional barrier against ISS emissions and should mitigate the memory effects due to process parameter fluctuations in the ISS. To support the research activities needed to characterize the performances of various components for WDS and ISS processes under various working conditions and configurationsmore » as needed for ITER design, an experimental facility called TRENTA representative of the ITER WDS and ISS protium separation column, has been commissioned and is in operation at TLK The experimental program on TRENTA facility is conducted to provide the necessary design data related to the relevant ITER operating modes. The operation availability and performances of ISS-WDS have impact on ITER fuel cycle subsystems with consequences on the design integration. The preliminary experimental data on TRENTA facility are presented. (authors)« less

Faculty Member for Research in an Undergraduate Institution Prize Talk: Research and Teaching through high-precision spectroscopy of heavy atoms

NASA Astrophysics Data System (ADS)

Majumder, Tiku

2017-04-01

In recent decades, substantial experimental effort has centered on heavy (high-Z) atomic and molecular systems for atomic-physics-based tests of standard model physics, through (for example) measurements of atomic parity nonconservation and searches for permanent electric dipole moments. In all of this work, a crucial role is played by atomic theorists, whose accurate wave function calculations are essential in connecting experimental observables to tests of relevant fundamental physics parameters. At Williams College, with essential contributions from dozens of undergraduate students, we have pursued a series of precise atomic structure measurements in heavy metal atoms such as thallium, indium, and lead. These include measurements of hyperfine structure, transition amplitudes, and atomic polarizability. This work, involving diode lasers, heated vapor cells, and an atomic beam apparatus, has both tested the accuracy and helped guide the refinement of new atomic theory calculations. I will discuss a number of our recent experimental results, emphasizing the role played by students and the opportunities that have been afforded for research-training in this undergraduate environment. Work supported by Research Corporation, the NIST Precision Measurement Grants program, and the National Science Foundation.

Experimental study of biomass gasification with oxygen-enriched air in fluidized bed gasifier.

PubMed

Liu, Lingqin; Huang, Yaji; Cao, Jianhua; Liu, Changqi; Dong, Lu; Xu, Ligang; Zha, Jianrui

2018-06-01

Considering the universality, renewability and cleanness of biomass, an experimental research is carried out using rice straw in a two-stage fluidized bed. The experimental analysis identified the relevant parameters in the operation of the two-stage fluidized bed to investigate the properties of biomass enriched air gasification. Results show that higher gasification temperature is conducive to enhance the gasification performance. An increasing ER is shown to go against adding gas heat value. When oxygen concentration increases from 21% to 45%, the gas heating value increases from 4.00MJ/kg to 5.24MJ/kg and the gasification efficiency increases from 29.60% to 33.59%, which shows higher oxygen concentration is conducive to higher quality gas and higher gasification efficiency. A secondary oxygen injection leads to reduction of tar concentration from 15.78g/Nm 3 to 10.24g/Nm 3 . The optimal secondary oxygen ratio is about 33.00%. When the secondary oxygen ratio increased to 46.86%, monocyclic aromatics reduced from 28.17% to 19.65% and PAHs increased from 34.97% to 44.05%, leading to the increase aromatization of tar. Copyright © 2018 Elsevier B.V. All rights reserved.

Linear modeling of human hand-arm dynamics relevant to right-angle torque tool interaction.

PubMed

Ay, Haluk; Sommerich, Carolyn M; Luscher, Anthony F

2013-10-01

A new protocol was evaluated for identification of stiffness, mass, and damping parameters employing a linear model for human hand-arm dynamics relevant to right-angle torque tool use. Powered torque tools are widely used to tighten fasteners in manufacturing industries. While these tools increase accuracy and efficiency of tightening processes, operators are repetitively exposed to impulsive forces, posing risk of upper extremity musculoskeletal injury. A novel testing apparatus was developed that closely mimics biomechanical exposure in torque tool operation. Forty experienced torque tool operators were tested with the apparatus to determine model parameters and validate the protocol for physical capacity assessment. A second-order hand-arm model with parameters extracted in the time domain met model accuracy criterion of 5% for time-to-peak displacement error in 93% of trials (vs. 75% for frequency domain). Average time-to-peak handle displacement and relative peak handle force errors were 0.69 ms and 0.21%, respectively. Model parameters were significantly affected by gender and working posture. Protocol and numerical calculation procedures provide an alternative method for assessing mechanical parameters relevant to right-angle torque tool use. The protocol more closely resembles tool use, and calculation procedures demonstrate better performance of parameter extraction using time domain system identification methods versus frequency domain. Potential future applications include parameter identification for in situ torque tool operation and equipment development for human hand-arm dynamics simulation under impulsive forces that could be used for assessing torque tools based on factors relevant to operator health (handle dynamics and hand-arm reaction force).

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.

Uncovering the genetic signature of quantitative trait evolution with replicated time series data.

PubMed

Franssen, S U; Kofler, R; Schlötterer, C

2017-01-01

The genetic architecture of adaptation in natural populations has not yet been resolved: it is not clear to what extent the spread of beneficial mutations (selective sweeps) or the response of many quantitative trait loci drive adaptation to environmental changes. Although much attention has been given to the genomic footprint of selective sweeps, the importance of selection on quantitative traits is still not well studied, as the associated genomic signature is extremely difficult to detect. We propose 'Evolve and Resequence' as a promising tool, to study polygenic adaptation of quantitative traits in evolving populations. Simulating replicated time series data we show that adaptation to a new intermediate trait optimum has three characteristic phases that are reflected on the genomic level: (1) directional frequency changes towards the new trait optimum, (2) plateauing of allele frequencies when the new trait optimum has been reached and (3) subsequent divergence between replicated trajectories ultimately leading to the loss or fixation of alleles while the trait value does not change. We explore these 3 phase characteristics for relevant population genetic parameters to provide expectations for various experimental evolution designs. Remarkably, over a broad range of parameters the trajectories of selected alleles display a pattern across replicates, which differs both from neutrality and directional selection. We conclude that replicated time series data from experimental evolution studies provide a promising framework to study polygenic adaptation from whole-genome population genetics data.

Learning Quantitative Sequence-Function Relationships from Massively Parallel Experiments

NASA Astrophysics Data System (ADS)

Atwal, Gurinder S.; Kinney, Justin B.

2016-03-01

A fundamental aspect of biological information processing is the ubiquity of sequence-function relationships—functions that map the sequence of DNA, RNA, or protein to a biochemically relevant activity. Most sequence-function relationships in biology are quantitative, but only recently have experimental techniques for effectively measuring these relationships been developed. The advent of such "massively parallel" experiments presents an exciting opportunity for the concepts and methods of statistical physics to inform the study of biological systems. After reviewing these recent experimental advances, we focus on the problem of how to infer parametric models of sequence-function relationships from the data produced by these experiments. Specifically, we retrace and extend recent theoretical work showing that inference based on mutual information, not the standard likelihood-based approach, is often necessary for accurately learning the parameters of these models. Closely connected with this result is the emergence of "diffeomorphic modes"—directions in parameter space that are far less constrained by data than likelihood-based inference would suggest. Analogous to Goldstone modes in physics, diffeomorphic modes arise from an arbitrarily broken symmetry of the inference problem. An analytically tractable model of a massively parallel experiment is then described, providing an explicit demonstration of these fundamental aspects of statistical inference. This paper concludes with an outlook on the theoretical and computational challenges currently facing studies of quantitative sequence-function relationships.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Spatial distribution of superconducting and charge-density-wave order parameters in cuprates and its influence on the quasiparticle tunnel current (Review Article)

NASA Astrophysics Data System (ADS)

Gabovich, Alexander M.; Voitenko, Alexander I.

2016-10-01

The state of the art concerning tunnel measurements of energy gaps in cuprate oxides has been analyzed. A detailed review of the relevant literature is made, and original results calculated for the quasiparticle tunnel current J(V) between a metallic tip and a disordered d-wave superconductor partially gapped by charge density waves (CDWs) are reported, because it is this model of high-temperature superconductors that becomes popular owing to recent experiments in which CDWs were observed directly. The current was calculated suggesting the scatter of both the superconducting and CDW order parameters due to the samples' intrinsic inhomogeneity. It was shown that peculiarities in the current-voltage characteristics inherent to the case of homogeneous superconducting material are severely smeared, and the CDW-related features transform into experimentally observed peak-dip-hump structures. Theoretical results were used to fit data measured for YBa2Cu3O7-δ and Bi2Sr2CaCu2O8+δ. The fitting demonstrated a good qualitative agreement between the experiment and model calculations. The analysis of the energy gaps in high-Tc superconductors is important both per se and as a tool to uncover the nature of superconductivity in cuprates not elucidated so far despite of much theoretical effort and experimental progress.

Three-dimensional biomechanical properties of human vocal folds: parameter optimization of a numerical model to match in vitro dynamics.

PubMed

Yang, Anxiong; Berry, David A; Kaltenbacher, Manfred; Döllinger, Michael

2012-02-01

The human voice signal originates from the vibrations of the two vocal folds within the larynx. The interactions of several intrinsic laryngeal muscles adduct and shape the vocal folds to facilitate vibration in response to airflow. Three-dimensional vocal fold dynamics are extracted from in vitro hemilarynx experiments and fitted by a numerical three-dimensional-multi-mass-model (3DM) using an optimization procedure. In this work, the 3DM dynamics are optimized over 24 experimental data sets to estimate biomechanical vocal fold properties during phonation. Accuracy of the optimization is verified by low normalized error (0.13 ± 0.02), high correlation (83% ± 2%), and reproducible subglottal pressure values. The optimized, 3DM parameters yielded biomechanical variations in tissue properties along the vocal fold surface, including variations in both the local mass and stiffness of vocal folds. That is, both mass and stiffness increased along the superior-to-inferior direction. These variations were statistically analyzed under different experimental conditions (e.g., an increase in tension as a function of vocal fold elongation and an increase in stiffness and a decrease in mass as a function of glottal airflow). The study showed that physiologically relevant vocal fold tissue properties, which cannot be directly measured during in vivo human phonation, can be captured using this 3D-modeling technique. © 2012 Acoustical Society of America

Three-dimensional biomechanical properties of human vocal folds: Parameter optimization of a numerical model to match in vitro dynamics

PubMed Central

Yang, Anxiong; Berry, David A.; Kaltenbacher, Manfred; Döllinger, Michael

2012-01-01

The human voice signal originates from the vibrations of the two vocal folds within the larynx. The interactions of several intrinsic laryngeal muscles adduct and shape the vocal folds to facilitate vibration in response to airflow. Three-dimensional vocal fold dynamics are extracted from in vitro hemilarynx experiments and fitted by a numerical three-dimensional-multi-mass-model (3DM) using an optimization procedure. In this work, the 3DM dynamics are optimized over 24 experimental data sets to estimate biomechanical vocal fold properties during phonation. Accuracy of the optimization is verified by low normalized error (0.13 ± 0.02), high correlation (83% ± 2%), and reproducible subglottal pressure values. The optimized, 3DM parameters yielded biomechanical variations in tissue properties along the vocal fold surface, including variations in both the local mass and stiffness of vocal folds. That is, both mass and stiffness increased along the superior-to-inferior direction. These variations were statistically analyzed under different experimental conditions (e.g., an increase in tension as a function of vocal fold elongation and an increase in stiffness and a decrease in mass as a function of glottal airflow). The study showed that physiologically relevant vocal fold tissue properties, which cannot be directly measured during in vivo human phonation, can be captured using this 3D-modeling technique. PMID:22352511

Structure and NMR spectra of some [2.2]paracyclophanes. The dilemma of [2.2]paracyclophane symmetry.

PubMed

Dodziuk, Helena; Szymański, Sławomir; Jaźwiński, Jarosław; Ostrowski, Maciej; Demissie, Taye Beyene; Ruud, Kenneth; Kuś, Piotr; Hopf, Henning; Lin, Shaw-Tao

2011-09-29

Density functional theory (DFT) quantum chemical calculations of the structure and NMR parameters for highly strained hydrocarbon [2.2]paracyclophane 1 and its three derivatives are presented. The calculated NMR parameters are compared with the experimental ones. By least-squares fitting of the (1)H spectra, almost all J(HH) coupling constants could be obtained with high accuracy. Theoretical vicinal J(HH) couplings in the aliphatic bridges, calculated using different basis sets (6-311G(d,p), and Huz-IV) reproduce the experimental values with essentially the same root-mean-square (rms) error of about 1.3 Hz, regardless of the basis set used. These discrepancies could be in part due to a considerable impact of rovibrational effects on the observed J(HH) couplings, since the latter show a measurable dependence on temperature. Because of the lasting literature controversies concerning the symmetry of parent compound 1, D(2h) versus D(2), a critical analysis of the relevant literature data is carried out. The symmetry issue is prone to confusion because, according to some literature claims, the two hypothetical enantiomeric D(2) structures of 1 could be separated by a very low energy barrier that would explain the occurrence of rovibrational effects on the observed vicinal J(HH) couplings. However, the D(2h) symmetry of 1 with a flat energy minimum could also account for these effects.

Soil retention of hexavalent chromium released from construction and demolition waste in a road-base-application scenario.

PubMed

Butera, Stefania; Trapp, Stefan; Astrup, Thomas F; Christensen, Thomas H

2015-11-15

We investigated the retention of Cr(VI) in three subsoils with low organic matter content in laboratory experiments at concentration levels relevant to represent leachates from construction and demolition waste (C&DW) reused as unbound material in road construction. The retention mechanism appeared to be reduction and subsequent precipitation as Cr(III) on the soil. The reduction process was slow and in several experiments it was still proceeding at the end of the six-month experimental period. The overall retention reaction fit well with a second-order reaction governed by actual Cr(VI) concentration and reduction capacity of the soil. The experimentally determined reduction capacities and second-order kinetic parameters were used to model, for a 100-year period, the one-dimensional migration of Cr(VI) in the subsoil under a layer of C&DW. The resulting Cr(VI) concentration would be negligible below 7-70 cm depth. However, in rigid climates and with high water infiltration through the road pavement, the reduction reaction could be so slow that Cr(VI) might migrate as deep as 200 cm under the road. The reaction parameters and the model can form the basis for systematically assessing under which scenarios Cr(VI) from C&DW could lead to an environmental issue for ground- and receiving surface waters. Copyright © 2015 Elsevier B.V. All rights reserved.

Effect of PEEP and inhaled nitric oxide on pulmonary gas exchange during gaseous and partial liquid ventilation with small volumes of perfluorocarbon.

PubMed

Max, M; Kuhlen, R; Falter, F; Reyle-Hahn, M; Dembinski, R; Rossaint, R

2000-04-01

Partial liquid ventilation, positive end-expiratory pressure (PEEP) and inhaled nitric oxide (NO) can improve ventilation/perfusion mismatch in acute lung injury (ALI). The aim of the present study was to compare gas exchange and hemodynamics in experimental ALI during gaseous and partial liquid ventilation at two different levels of PEEP, with and without the inhalation of nitric oxide. Seven pigs (24+/-2 kg BW) were surfactant-depleted by repeated lung lavage with saline. Gas exchange and hemodynamic parameters were assessed in all animals during gaseous and subsequent partial liquid ventilation at two levels of PEEP (5 and 15 cmH2O) and intermittent inhalation of 10 ppm NO. Arterial oxygenation increased significantly with a simultaneous decrease in cardiac output when PEEP 15 cmH2O was applied during gaseous and partial liquid ventilation. All other hemodynamic parameters revealed no relevant changes. Inhalation of NO and instillation of perfluorocarbon had no additive effects on pulmonary gas exchange when compared to PEEP 15 cmH2O alone. In experimental lung injury, improvements in gas exchange are most distinct during mechanical ventilation with PEEP 15 cmH2O without significantly impairing hemodynamics. Partial liquid ventilation and inhaled NO did not cause an additive increase of PaO2.

Stark width and shift for electron number density diagnostics of low temperature plasma: Application to silicon Laser Induced Breakdown Spectroscopy

NASA Astrophysics Data System (ADS)

Ivković, M.; Konjević, N.

2017-05-01

In this work we summarize, analyze and critically evaluate experimental procedures and results of LIBS electron number density plasma characterization using as examples Stark broadened Si I and Si II line profiles. Selected publications are covering the time period from very beginning of silicon LIBS studies until the end of the year 2015. To perform the analysis of experimental LIBS data, the testing of available semiclassical theoretical Stark broadening parameters for Si I and Si II lines was accomplished first. This is followed by the description of experimental setups, results and details of experimental procedure relevant for the line shape analysis of spectral lines used for plasma characterization. Although most of results and conclusions of this analysis are related to the application of silicon lines for LIBS characterization they are of general importance and may be applied to other elements and different low-temperature plasma sources. The analysis of experimental procedures used for LIBS diagnostics from emission profiles of non-hydrogenic spectral lines is carried out in the following order: the influence of laser ablation and crater formation, spatial and temporal plasma observation, line self-absorption and experimental profile deconvolution, the contribution of ion broadening in comparison with electron impacts contributions to the line width in case of neutral atom line and some other aspects of line shape analysis are considered. The application of Stark shift for LIBS diagnostics is demonstrated and discussed. Finally, the recommendations for an improvement of experimental procedures for LIBS electron number density plasma characterization are offered.

Reform and practice for photoelectric specialty experimental teaching based on virtual simulation experiment platform

NASA Astrophysics Data System (ADS)

Ye, Yan; Lv, Qingsong; Wu, Maocheng; Xu, Yishen; Gu, Jihua

2017-08-01

In view of some problems about the traditional photoelectric specialty experimental teaching process, such as separation of theoretical teaching and practical teaching, immobilization of experimental teaching contents, low quality of experiments and no obvious effect, we explored and practiced a new experimental teaching model of "theoretical teaching, virtual simulation and physical experiment", which combined the characteristics of photoelectric information science and engineering major and the essential requirements of engineering innovation talents cultivation. The virtual simulation experiment platform has many advantages, such as high performance-to-price ratio, easy operation and open experimental process, which makes virtual simulation combine physical experiment, complete each other with virtual for practical. After the users log into the virtual simulation experimental platform, they will first study the contents of the experiment, clarify the purpose and requirements of the experiment, master the method of using the instrument and the relevant notes, and then use the experimental instruments provided by the platform to build the corresponding experimental system. Once the experimenter's optical path is set incorrectly or the instrument parameters are set incorrectly, the error or warning message will be automatically triggered, and the reference information will be given instructing the student to complete the correct experimental operation. The results of our practice in recent years show that the teaching reform of the photoelectric specialty experiments has not only brought great convenience to the experimental teaching management, broadened the students' thinking and vision, enhanced the students' experimental skills and comprehensive qualities, but also made the students participate in the experiment with their enthusiasm. During the construction of experiment programs, the students' engineering practical ability and independent innovation awareness has been improved greatly. In the next time, based on the development trend of optoelectronic discipline and our own major characteristics, we will further perfect and enrich the construction of virtual simulation experimental platform and continuously improve the quality of experimental teaching.

Towards a data-driven analysis of hadronic light-by-light scattering

NASA Astrophysics Data System (ADS)

Colangelo, Gilberto; Hoferichter, Martin; Kubis, Bastian; Procura, Massimiliano; Stoffer, Peter

2014-11-01

The hadronic light-by-light contribution to the anomalous magnetic moment of the muon was recently analyzed in the framework of dispersion theory, providing a systematic formalism where all input quantities are expressed in terms of on-shell form factors and scattering amplitudes that are in principle accessible in experiment. We briefly review the main ideas behind this framework and discuss the various experimental ingredients needed for the evaluation of one- and two-pion intermediate states. In particular, we identify processes that in the absence of data for doubly-virtual pion-photon interactions can help constrain parameters in the dispersive reconstruction of the relevant input quantities, the pion transition form factor and the helicity partial waves for γ*γ* → ππ.

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

FDA’s Nozzle Numerical Simulation Challenge: Non-Newtonian Fluid Effects and Blood Damage

PubMed Central

Trias, Miquel; Arbona, Antonio; Massó, Joan; Miñano, Borja; Bona, Carles

2014-01-01

Data from FDA’s nozzle challenge–a study to assess the suitability of simulating fluid flow in an idealized medical device–is used to validate the simulations obtained from a numerical, finite-differences code. Various physiological indicators are computed and compared with experimental data from three different laboratories, getting a very good agreement. Special care is taken with the derivation of blood damage (hemolysis). The paper is focused on the laminar regime, in order to investigate non-Newtonian effects (non-constant fluid viscosity). The code can deal with these effects with just a small extra computational cost, improving Newtonian estimations up to a ten percent. The relevance of non-Newtonian effects for hemolysis parameters is discussed. PMID:24667931

D1 receptor agonist improves sleep-wake parameters in experimental parkinsonism.

PubMed

Hyacinthe, Carole; Barraud, Quentin; Tison, François; Bezard, Erwan; Ghorayeb, Imad

2014-03-01

Both excessive daytime sleepiness (EDS) and rapid eye movement (REM) sleep deregulation are part of Parkinson's disease (PD) non-motor symptoms and may complicate dopamine replacement therapy. We report here that dopamine agonists act differentially on sleep architecture in the 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine macaque monkey. Continuous sleep and wake electroencephalographic monitoring revealed no effect of the selective dopamine D2 receptor agonist quinpirole on EDS, whereas the selective dopamine D1 receptor agonist SKF38393 efficiently alleviated EDS and restored REM sleep to baseline values. The present results question the relevance of abandoning D1 receptor agonist treatment in PD as it might actually improve sleep-related disorders. Copyright © 2013 Elsevier Inc. All rights reserved.

Magnetically tunable 1D Coulomb drag: Theory

NASA Astrophysics Data System (ADS)

Tylan-Tyler, Anthony; Tang, Yuhe; Levy, Jeremy

In this work, we examine the Coulomb drag effect in 1D nanowires in close proximity, focusing on experimental parameters relevant to complex-oxide nanostructures. Previous work on this problem examined Coulomb drag through quantum point contacts, where effective capacitive coupling between the 2D leads of the system generates the drag voltage. In our case, the entire system is composed of 1D components and thus a more careful treatment of the Coulomb interactions is required. This more complex environment then leads to the ability to switch the drag voltage by an applied magnetic field without altering the current supplied to the drive system. We gratefully acknowledge financial support from ONR N00014-15-1-2847 and DOE DE-SC0014417.

Metamaterial-inspired silicon nanophotonics

NASA Astrophysics Data System (ADS)

Staude, Isabelle; Schilling, Jörg

2017-04-01

The prospect of creating metamaterials with optical properties greatly exceeding the parameter space accessible with natural materials has been inspiring intense research efforts in nanophotonics for more than a decade. Following an era of plasmonic metamaterials, low-loss dielectric nanostructures have recently moved into the focus of metamaterial-related research. This development was mainly triggered by the experimental observation of electric and magnetic multipolar Mie-type resonances in high-refractive-index dielectric nanoparticles. Silicon in particular has emerged as a popular material choice, due to not only its high refractive index and very low absorption losses in the telecom spectral range, but also its paramount technological relevance. This Review overviews recent progress on metamaterial-inspired silicon nanostructures, including Mie-resonant and off-resonant regimes.

Geostatistical characterisation of geothermal parameters for a thermal aquifer storage site in Germany

NASA Astrophysics Data System (ADS)

Rodrigo-Ilarri, J.; Li, T.; Grathwohl, P.; Blum, P.; Bayer, P.

2009-04-01

The design of geothermal systems such as aquifer thermal energy storage systems (ATES) must account for a comprehensive characterisation of all relevant parameters considered for the numerical design model. Hydraulic and thermal conductivities are the most relevant parameters and its distribution determines not only the technical design but also the economic viability of such systems. Hence, the knowledge of the spatial distribution of these parameters is essential for a successful design and operation of such systems. This work shows the first results obtained when applying geostatistical techniques to the characterisation of the Esseling Site in Germany. In this site a long-term thermal tracer test (> 1 year) was performed. On this open system the spatial temperature distribution inside the aquifer was observed over time in order to obtain as much information as possible that yield to a detailed characterisation both of the hydraulic and thermal relevant parameters. This poster shows the preliminary results obtained for the Esseling Site. It has been observed that the common homogeneous approach is not sufficient to explain the observations obtained from the TRT and that parameter heterogeneity must be taken into account.

Effect of processing parameters on FDM process

NASA Astrophysics Data System (ADS)

Chari, V. Srinivasa; Venkatesh, P. R.; Krupashankar, Dinesh, Veena

2018-04-01

This paper focused on the process parameters on fused deposition modeling (FDM). Infill, resolution, temperature are the process variables considered for experimental studies. Compression strength, Hardness test microstructure are the outcome parameters, this experimental study done based on the taguchi's L9 orthogonal array is used. Taguchi array used to build the 9 different models and also to get the effective output results on the under taken parameters. The material used for this experimental study is Polylactic Acid (PLA).

Electrosensory Midbrain Neurons Display Feature Invariant Responses to Natural Communication Stimuli.

PubMed

Aumentado-Armstrong, Tristan; Metzen, Michael G; Sproule, Michael K J; Chacron, Maurice J

2015-10-01

Neurons that respond selectively but in an invariant manner to a given feature of natural stimuli have been observed across species and systems. Such responses emerge in higher brain areas, thereby suggesting that they occur by integrating afferent input. However, the mechanisms by which such integration occurs are poorly understood. Here we show that midbrain electrosensory neurons can respond selectively and in an invariant manner to heterogeneity in behaviorally relevant stimulus waveforms. Such invariant responses were not seen in hindbrain electrosensory neurons providing afferent input to these midbrain neurons, suggesting that response invariance results from nonlinear integration of such input. To test this hypothesis, we built a model based on the Hodgkin-Huxley formalism that received realistic afferent input. We found that multiple combinations of parameter values could give rise to invariant responses matching those seen experimentally. Our model thus shows that there are multiple solutions towards achieving invariant responses and reveals how subthreshold membrane conductances help promote robust and invariant firing in response to heterogeneous stimulus waveforms associated with behaviorally relevant stimuli. We discuss the implications of our findings for the electrosensory and other systems.

Myocardium distribution of sertindole and its metabolite dehydrosertindole in guinea-pigs.

PubMed

Canal-Raffin, Mireille; Titier, Karine; Déridet, Evelyne; Martinez, Béatrice; Abouelfath, Abdelilah; Miras, Alain; Gromb, Sophie; Molimard, Mathieu; Moore, Nicholas

2006-05-01

Sertindole, like other atypical antipsychotics, has been shown to increase the action potential duration and QT interval in a concentration dependent manner, in in vitro electrophysiological studies. However, this does not always translate into increased duration of the QT interval, increased risk of torsade de pointes or sudden death in clinical practice. The reasons for these apparent discrepancies are unclear and many studies have underscored the importance of the interpretation of in vitro electrophysiological data in the context of other pharmacodynamic (e.g. cardiac ion channels target, receptor affinity) and pharmacokinetic parameters (total plasma drug concentration and drug distribution). To address the possible relevance of the concentrations used in experimental studies, the myocardium distribution of sertindole and its metabolite was determined after single and repeated intraperitoneal administration to guinea-pigs. The data suggest that the plasma concentration appears to predict the concentration in the myocardium and that the myocardium concentrations of sertindole are 3.1 times higher than plasma concentrations. Using these data, the relevance of in vitro electrophysiological studies to clinical plasma concentrations has been appraised. Copyright 2006 John Wiley & Sons, Ltd.

Laser–plasma interactions for fast ignition

DOE PAGES

Kemp, A. J.; Fiuza, F.; Debayle, A.; ...

2014-04-17

In the electron-driven fast-ignition approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review recent progress in the understanding of intense laser- plasma interactions (LPI) relevant to fast ignition. Increases in computational and modeling capabilities, as well as algorithmic developments have led to enhancement in our ability to perform multidimensional particle-in-cell (PIC) simulations of LPI at relevant scales. We discuss the physics of the interaction in terms of laser absorption fraction, the laser-generated electron spectra, divergence, and their temporalmore » evolution. Scaling with irradiation conditions such as laser intensity, f-number and wavelength are considered, as well as the dependence on plasma parameters. Different numerical modeling approaches and configurations are addressed, providing an overview of the modeling capabilities and limitations. In addition, we discuss the comparison of simulation results with experimental observables. In particular, we address the question of surrogacy of today's experiments for the full-scale fast ignition problem.« less

Influence of internal electric fields on bonding and properties of impurities in insulators: Mn2+ in LiBaF3 and normal perovskites

NASA Astrophysics Data System (ADS)

Trueba, A.; García-Lastra, J. M.; Barriuso, M. T.; Aramburu, J. A.; Moreno, M.

2008-08-01

Although in LiBaF3:Mn2+ the impurity replaces Li+ thus forming octahedral MnF64- units the experimental hyperfine and anisotropic superhyperfine constants and the energies of d-d optical transitions do not fit into the pattern observed for Mn2+ -doped normal perovskite lattices. Seeking to look into this relevant issue first-principles calculations in the framework of the density-functional theory have been carried out for MnF64- complexes embedded in both KMgF3 and LiBaF3 host lattices which display normal and inverted perovskite structures respectively. The present calculations lead to a value of the equilibrium Mn2+-F- distance, RI , which is the same for both host lattices within 0.015Å . Despite this fact and in agreement with experimental data the calculated values of both the anisotropic superhyperfine constant, Ap , and the cubic-field splitting parameter, 10Dq, for LiBaF3:Mn2+ are found to be higher than those for KMgF3:Mn2+ while Racah parameters are a bit higher for the latter case. All these results, and also the 3% reduction undergone by the hyperfine constant on passing from KMgF3:Mn2+ to LiBaF3:Mn2+ are shown to be connected with a parallel increase in the covalency. These surprising results, which cannot be ascribed to a different RI value, are shown to arise from the internal electric field, ER , due to all lattice ions lying outside the MnF64- complex. Although, according to symmetry, ER is null at Mn2+ site this is shown to be not true in the neighborhood of ligands for the LiBaF3 host lattice. The quite different shape of ER in normal and inverted perovskite lattices is shown to be already understood considering only the first two shells surrounding the MnF64- complex. The present results demonstrate that the traditional ligand field theory fails to understand the changes undergone by optical and magnetic parameters of a complex when a host lattice is replaced by another one which is not isomorphous. The relevance of present conclusions for understanding the color of Cr3+ -based gemstones is also underlined.

Place avoidance learning and memory in a jumping spider.

PubMed

Peckmezian, Tina; Taylor, Phillip W

2017-03-01

Using a conditioned passive place avoidance paradigm, we investigated the relative importance of three experimental parameters on learning and memory in a salticid, Servaea incana. Spiders encountered an aversive electric shock stimulus paired with one side of a two-sided arena. Our three parameters were the ecological relevance of the visual stimulus, the time interval between trials and the time interval before test. We paired electric shock with either a black or white visual stimulus, as prior studies in our laboratory have demonstrated that S. incana prefer dark 'safe' regions to light ones. We additionally evaluated the influence of two temporal features (time interval between trials and time interval before test) on learning and memory. Spiders exposed to the shock stimulus learned to associate shock with the visual background cue, but the extent to which they did so was dependent on which visual stimulus was present and the time interval between trials. Spiders trained with a long interval between trials (24 h) maintained performance throughout training, whereas spiders trained with a short interval (10 min) maintained performance only when the safe side was black. When the safe side was white, performance worsened steadily over time. There was no difference between spiders tested after a short (10 min) or long (24 h) interval before test. These results suggest that the ecological relevance of the stimuli used and the duration of the interval between trials can influence learning and memory in jumping spiders.

Experimental and Numerical Models of Complex Clinical Scenarios; Strategies to Improve Relevance and Reproducibility of Joint Replacement Research

PubMed Central

Bechtold, Joan E.; Swider, Pascal; Goreham-Voss, Curtis; Soballe, Kjeld

2016-01-01

This research review aims to focus attention on the effect of specific surgical and host factors on implant fixation, and the importance of accounting for them in experimental and numerical models. These factors affect (a) eventual clinical applicability and (b) reproducibility of findings across research groups. Proper function and longevity for orthopedic joint replacement implants relies on secure fixation to the surrounding bone. Technology and surgical technique has improved over the last 50 years, and robust ingrowth and decades of implant survival is now routinely achieved for healthy patients and first-time (primary) implantation. Second-time (revision) implantation presents with bone loss with interfacial bone gaps in areas vital for secure mechanical fixation. Patients with medical comorbidities such as infection, smoking, congestive heart failure, kidney disease, and diabetes have a diminished healing response, poorer implant fixation, and greater revision risk. It is these more difficult clinical scenarios that require research to evaluate more advanced treatment approaches. Such treatments can include osteogenic or antimicrobial implant coatings, allo- or autogenous cellular or tissue-based approaches, local and systemic drug delivery, surgical approaches. Regarding implant-related approaches, most experimental and numerical models do not generally impose conditions that represent mechanical instability at the implant interface, or recalcitrant healing. Many treatments will work well in forgiving settings, but fail in complex human settings with disease, bone loss, or previous surgery. Ethical considerations mandate that we justify and limit the number of animals tested, which restricts experimental permutations of treatments. Numerical models provide flexibility to evaluate multiple parameters and combinations, but generally need to employ simplifying assumptions. The objectives of this paper are to (a) to highlight the importance of mechanical, material, and surgical features to influence implant–bone healing, using a selection of results from two decades of coordinated experimental and numerical work and (b) discuss limitations of such models and the implications for research reproducibility. Focusing model conditions toward the clinical scenario to be studied, and limiting conclusions to the conditions of a particular model can increase clinical relevance and research reproducibility. PMID:26720312

Identifying marker genes in transcription profiling data using a mixture of feature relevance experts.

PubMed

Chow, M L; Moler, E J; Mian, I S

2001-03-08

Transcription profiling experiments permit the expression levels of many genes to be measured simultaneously. Given profiling data from two types of samples, genes that most distinguish the samples (marker genes) are good candidates for subsequent in-depth experimental studies and developing decision support systems for diagnosis, prognosis, and monitoring. This work proposes a mixture of feature relevance experts as a method for identifying marker genes and illustrates the idea using published data from samples labeled as acute lymphoblastic and myeloid leukemia (ALL, AML). A feature relevance expert implements an algorithm that calculates how well a gene distinguishes samples, reorders genes according to this relevance measure, and uses a supervised learning method [here, support vector machines (SVMs)] to determine the generalization performances of different nested gene subsets. The mixture of three feature relevance experts examined implement two existing and one novel feature relevance measures. For each expert, a gene subset consisting of the top 50 genes distinguished ALL from AML samples as completely as all 7,070 genes. The 125 genes at the union of the top 50s are plausible markers for a prototype decision support system. Chromosomal aberration and other data support the prediction that the three genes at the intersection of the top 50s, cystatin C, azurocidin, and adipsin, are good targets for investigating the basic biology of ALL/AML. The same data were employed to identify markers that distinguish samples based on their labels of T cell/B cell, peripheral blood/bone marrow, and male/female. Selenoprotein W may discriminate T cells from B cells. Results from analysis of transcription profiling data from tumor/nontumor colon adenocarcinoma samples support the general utility of the aforementioned approach. Theoretical issues such as choosing SVM kernels and their parameters, training and evaluating feature relevance experts, and the impact of potentially mislabeled samples on marker identification (feature selection) are discussed.

Cognitive and emotional behavioural changes associated with methylphenidate treatment: a review of preclinical studies.

PubMed

Britton, Gabrielle B

2012-02-01

There is evidence from animal studies that repeated exposure to methylphenidate (MPH), a widely used psychostimulant for the treatment of attention deficit hyperactivity disorder (ADHD), produces behavioural, structural and neurochemical changes that persist long after drug administration has ended. However, the translational utility of much of this work is compromised by the use of drug doses and routes of administration that produce plasma and brain MPH levels that fall outside the clinical range, i.e. experimental parameters more relevant to drug abuse than ADHD. We used PubMed to identify pre-clinical studies that employed repeated MPH administration at low doses in young rodents and examined long-term effects on cognition, emotion, and brain structure and function. A review of this work suggests that repeated MPH treatment during early development can modify a number of cognitive, behavioural and brain processes, but these are reduced when low therapeutic doses are employed. Moreover, MPH sites of action extend beyond those implicated in ADHD. Studies that combined neurobiological and behavioural approaches provide important insights into the mechanisms underlying MPH-produced effects on cognitive and behavioural processes, which may be relevant to MPH therapeutic efficacy. There is an emerging consensus that pharmacological treatment of childhood psychiatric disorders produces persistent neuroadaptations, highlighting the need for studies that assess long-term effects of early developmental pharmacotherapy. In this regard, studies that mimic clinical therapy with rodents are useful experimental approaches for defining the behavioural and neural plasticity associated with stimulant therapy in paediatric populations.

A review of induction and attachment times of wetting thin films between air bubbles and particles and its relevance in the separation of particles by flotation.

PubMed

Albijanic, Boris; Ozdemir, Orhan; Nguyen, Anh V; Bradshaw, Dee

2010-08-11

Bubble-particle attachment in water is critical to the separation of particles by flotation which is widely used in the recovery of valuable minerals, the deinking of wastepaper, the water treatment and the oil recovery from tar sands. It involves the thinning and rupture of wetting thin films, and the expansion and relaxation of the gas-liquid-solid contact lines. The time scale of the first two processes is referred to as the induction time, whereas the time scale of the attachment involving all the processes is called the attachment time. This paper reviews the experimental studies into the induction and attachment times between minerals and air bubbles, and between oil droplets and air bubbles. It also focuses on the experimental investigations and mathematical modelling of elementary processes of the wetting film thinning and rupture, and the three-phase contact line expansion relevant to flotation. It was confirmed that the time parameters, obtained by various authors, are sensitive enough to show changes in both flotation surface chemistry and physical properties of solid surfaces of pure minerals. These findings should be extended to other systems. It is proposed that measurements of the bubble-particle attachment can be used to interpret changes in flotation behaviour or, in conjunction with other factors, such as particle size and gas dispersion, to predict flotation performance. Copyright 2010 Elsevier B.V. All rights reserved.

Functional validation and comparison framework for EIT lung imaging.

PubMed

Grychtol, Bartłomiej; Elke, Gunnar; Meybohm, Patrick; Weiler, Norbert; Frerichs, Inéz; Adler, Andy

2014-01-01

Electrical impedance tomography (EIT) is an emerging clinical tool for monitoring ventilation distribution in mechanically ventilated patients, for which many image reconstruction algorithms have been suggested. We propose an experimental framework to assess such algorithms with respect to their ability to correctly represent well-defined physiological changes. We defined a set of clinically relevant ventilation conditions and induced them experimentally in 8 pigs by controlling three ventilator settings (tidal volume, positive end-expiratory pressure and the fraction of inspired oxygen). In this way, large and discrete shifts in global and regional lung air content were elicited. We use the framework to compare twelve 2D EIT reconstruction algorithms, including backprojection (the original and still most frequently used algorithm), GREIT (a more recent consensus algorithm for lung imaging), truncated singular value decomposition (TSVD), several variants of the one-step Gauss-Newton approach and two iterative algorithms. We consider the effects of using a 3D finite element model, assuming non-uniform background conductivity, noise modeling, reconstructing for electrode movement, total variation (TV) reconstruction, robust error norms, smoothing priors, and using difference vs. normalized difference data. Our results indicate that, while variation in appearance of images reconstructed from the same data is not negligible, clinically relevant parameters do not vary considerably among the advanced algorithms. Among the analysed algorithms, several advanced algorithms perform well, while some others are significantly worse. Given its vintage and ad-hoc formulation backprojection works surprisingly well, supporting the validity of previous studies in lung EIT.

A likelihood-based biostatistical model for analyzing consumer movement in simultaneous choice experiments.

PubMed

Zeilinger, Adam R; Olson, Dawn M; Andow, David A

2014-08-01

Consumer feeding preference among resource choices has critical implications for basic ecological and evolutionary processes, and can be highly relevant to applied problems such as ecological risk assessment and invasion biology. Within consumer choice experiments, also known as feeding preference or cafeteria experiments, measures of relative consumption and measures of consumer movement can provide distinct and complementary insights into the strength, causes, and consequences of preference. Despite the distinct value of inferring preference from measures of consumer movement, rigorous and biologically relevant analytical methods are lacking. We describe a simple, likelihood-based, biostatistical model for analyzing the transient dynamics of consumer movement in a paired-choice experiment. With experimental data consisting of repeated discrete measures of consumer location, the model can be used to estimate constant consumer attraction and leaving rates for two food choices, and differences in choice-specific attraction and leaving rates can be tested using model selection. The model enables calculation of transient and equilibrial probabilities of consumer-resource association, which could be incorporated into larger scale movement models. We explore the effect of experimental design on parameter estimation through stochastic simulation and describe methods to check that data meet model assumptions. Using a dataset of modest sample size, we illustrate the use of the model to draw inferences on consumer preference as well as underlying behavioral mechanisms. Finally, we include a user's guide and computer code scripts in R to facilitate use of the model by other researchers.

Analysis of stimulated Raman backscatter and stimulated Brillouin backscatter in experiments performed on SG-III prototype facility with a spectral analysis code

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

Hao, Liang; Zhao, Yiqing; Hu, Xiaoyan

2014-07-15

Experiments about the observations of stimulated Raman backscatter (SRS) and stimulated Brillouin backscatter (SBS) in Hohlraum were performed on Shenguang-III (SG-III) prototype facility for the first time in 2011. In this paper, relevant experimental results are analyzed for the first time with a one-dimension spectral analysis code, which is developed to study the coexistent process of SRS and SBS in Hohlraum plasma condition. Spectral features of the backscattered light are discussed with different plasma parameters. In the case of empty Hohlraum experiments, simulation results indicate that SBS, which grows fast at the energy deposition region near the Hohlraum wall, ismore » the dominant instability process. The time resolved spectra of SRS and SBS are numerically obtained, which agree with the experimental observations. For the gas-filled Hohlraum experiments, simulation results show that SBS grows fastest in Au plasma and amplifies convectively in C{sub 5}H{sub 12} gas, whereas SRS mainly grows in the high density region of the C{sub 5}H{sub 12} gas. Gain spectra and the spectra of backscattered light are simulated along the ray path, which clearly show the location where the intensity of scattered light with a certain wavelength increases. This work is helpful to comprehend the observed spectral features of SRS and SBS. The experiments and relevant analysis provide references for the ignition target design in future.« less

Chromium released from leather - I: exposure conditions that govern the release of chromium(III) and chromium(VI).

PubMed

Hedberg, Yolanda S; Lidén, Carola; Odnevall Wallinder, Inger

2015-04-01

Approximately 1-3% of the adult population in Europe is allergic to chromium (Cr). A new restriction in REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) based on the ISO 17075 standard has recently been adopted in the EU to limit Cr(VI) in consumer and occupational leather products. The aim of this study was to critically assess key experimental parameters in this standard on the release of Cr(III) and Cr(VI) and their relevance for skin exposure. Four differently tanned, unfinished, leather samples were systematically investigated for their release of Cr(III) and Cr(VI) in relation to surface area, key exposure parameters, temperature, ultraviolet irradiation, and time. Although the total release of Cr was largely unaffected by all investigated parameters, except exposure duration and temperature, the Cr oxidation state was highly dynamic, with reduced amounts of released Cr(VI) with time, owing to the simultaneous release of reducing agents from the leather. Significantly more Cr(III) than Cr(VI) was released from the Cr-tanned leather for all conditions tested, and it continued to be released in artificial sweat up to at least 1 week of exposure. Several parameters were identified that influenced the outcome of the ISO 17075 test. © 2015 The Authors. Contact Dermatitis published by John Wiley & Sons Ltd.

Optimization of intermolecular potential parameters for the CO2/H2O mixture.

PubMed

Orozco, Gustavo A; Economou, Ioannis G; Panagiotopoulos, Athanassios Z

2014-10-02

Monte Carlo simulations in the Gibbs ensemble were used to obtain optimized intermolecular potential parameters to describe the phase behavior of the mixture CO2/H2O, over a range of temperatures and pressures relevant for carbon capture and sequestration processes. Commonly used fixed-point-charge force fields that include Lennard-Jones 12-6 (LJ) or exponential-6 (Exp-6) terms were used to describe CO2 and H2O intermolecular interactions. For force fields based on the LJ functional form, changes of the unlike interactions produced higher variations in the H2O-rich phase than in the CO2-rich phase. A major finding of the present study is that for these potentials, no combination of unlike interaction parameters is able to adequately represent properties of both phases. Changes to the partial charges of H2O were found to produce significant variations in both phases and are able to fit experimental data in both phases, at the cost of inaccuracies for the pure H2O properties. By contrast, for the Exp-6 case, optimization of a single parameter, the oxygen-oxygen unlike-pair interaction, was found sufficient to give accurate predictions of the solubilities in both phases while preserving accuracy in the pure component properties. These models are thus recommended for future molecular simulation studies of CO2/H2O mixtures.

Optimization and Surface Modification of Al-6351 Alloy Using SiC-Cu Green Compact Electrode by Electro Discharge Coating Process

NASA Astrophysics Data System (ADS)

Chakraborty, Sujoy; Kar, Siddhartha; Dey, Vidyut; Ghosh, Subrata Kumar

2017-06-01

This paper introduces the surface modification of Al-6351 alloy by green compact SiC-Cu electrode using electro-discharge coating (EDC) process. A Taguchi L-16 orthogonal array is employed to investigate the process by varying tool parameters like composition and compaction load and electro-discharge machining (EDM) parameters like pulse-on time and peak current. Material deposition rate (MDR), tool wear rate (TWR) and surface roughness (SR) are measured on the coated specimens. An optimum condition is achieved by formulating overall evaluation criteria (OEC), which combines multi-objective task into a single index. The signal-to-noise (S/N) ratio, and the analysis of variance (ANOVA) is employed to investigate the effect of relevant process parameters. A confirmation test is conducted based on optimal process parameters and experimental results are provided to illustrate the effectiveness of this approach. The modified surface is characterized by optical microscope and X-ray diffraction (XRD) analysis. XRD analysis of the deposited layer confirmed the transfer of tool materials to the work surface and formation of inter-metallic phases. The micro-hardness of the resulting composite layer is also measured which is 1.5-3 times more than work material’s one and highest layer thickness (LT) of 83.644μm has been successfully achieved.

QbD for pediatric oral lyophilisates development: risk assessment followed by screening and optimization.

PubMed

Casian, Tibor; Iurian, Sonia; Bogdan, Catalina; Rus, Lucia; Moldovan, Mirela; Tomuta, Ioan

2017-12-01

This study proposed the development of oral lyophilisates with respect to pediatric medicine development guidelines, by applying risk management strategies and DoE as an integrated QbD approach. Product critical quality attributes were overviewed by generating Ishikawa diagrams for risk assessment purposes, considering process, formulation and methodology related parameters. Failure Mode Effect Analysis was applied to highlight critical formulation and process parameters with an increased probability of occurrence and with a high impact on the product performance. To investigate the effect of qualitative and quantitative formulation variables D-optimal designs were used for screening and optimization purposes. Process parameters related to suspension preparation and lyophilization were classified as significant factors, and were controlled by implementing risk mitigation strategies. Both quantitative and qualitative formulation variables introduced in the experimental design influenced the product's disintegration time, mechanical resistance and dissolution properties selected as CQAs. The optimum formulation selected through Design Space presented ultra-fast disintegration time (5 seconds), a good dissolution rate (above 90%) combined with a high mechanical resistance (above 600 g load). Combining FMEA and DoE allowed the science based development of a product with respect to the defined quality target profile by providing better insights on the relevant parameters throughout development process. The utility of risk management tools in pharmaceutical development was demonstrated.

Convergence in parameters and predictions using computational experimental design.

PubMed

Hagen, David R; White, Jacob K; Tidor, Bruce

2013-08-06

Typically, biological models fitted to experimental data suffer from significant parameter uncertainty, which can lead to inaccurate or uncertain predictions. One school of thought holds that accurate estimation of the true parameters of a biological system is inherently problematic. Recent work, however, suggests that optimal experimental design techniques can select sets of experiments whose members probe complementary aspects of a biochemical network that together can account for its full behaviour. Here, we implemented an experimental design approach for selecting sets of experiments that constrain parameter uncertainty. We demonstrated with a model of the epidermal growth factor-nerve growth factor pathway that, after synthetically performing a handful of optimal experiments, the uncertainty in all 48 parameters converged below 10 per cent. Furthermore, the fitted parameters converged to their true values with a small error consistent with the residual uncertainty. When untested experimental conditions were simulated with the fitted models, the predicted species concentrations converged to their true values with errors that were consistent with the residual uncertainty. This paper suggests that accurate parameter estimation is achievable with complementary experiments specifically designed for the task, and that the resulting parametrized models are capable of accurate predictions.

A flexible, interactive software tool for fitting the parameters of neuronal models.

PubMed

Friedrich, Péter; Vella, Michael; Gulyás, Attila I; Freund, Tamás F; Káli, Szabolcs

2014-01-01

The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible) the corresponding output of a real neuron according to some predefined criterion. Although the task of model optimization is often computationally hard, and the quality of the results depends heavily on technical issues such as the appropriate choice (and implementation) of cost functions and optimization algorithms, no existing program provides access to the best available methods while also guiding the user through the process effectively. Our software, called Optimizer, implements a modular and extensible framework for the optimization of neuronal models, and also features a graphical interface which makes it easy for even non-expert users to handle many commonly occurring scenarios. Meanwhile, educated users can extend the capabilities of the program and customize it according to their needs with relatively little effort. Optimizer has been developed in Python, takes advantage of open-source Python modules for nonlinear optimization, and interfaces directly with the NEURON simulator to run the models. Other simulators are supported through an external interface. We have tested the program on several different types of problems of varying complexity, using different model classes. As targets, we used simulated traces from the same or a more complex model class, as well as experimental data. We successfully used Optimizer to determine passive parameters and conductance densities in compartmental models, and to fit simple (adaptive exponential integrate-and-fire) neuronal models to complex biological data. Our detailed comparisons show that Optimizer can handle a wider range of problems, and delivers equally good or better performance than any other existing neuronal model fitting tool.

Fast integration-based prediction bands for ordinary differential equation models.

PubMed

Hass, Helge; Kreutz, Clemens; Timmer, Jens; Kaschek, Daniel

2016-04-15

To gain a deeper understanding of biological processes and their relevance in disease, mathematical models are built upon experimental data. Uncertainty in the data leads to uncertainties of the model's parameters and in turn to uncertainties of predictions. Mechanistic dynamic models of biochemical networks are frequently based on nonlinear differential equation systems and feature a large number of parameters, sparse observations of the model components and lack of information in the available data. Due to the curse of dimensionality, classical and sampling approaches propagating parameter uncertainties to predictions are hardly feasible and insufficient. However, for experimental design and to discriminate between competing models, prediction and confidence bands are essential. To circumvent the hurdles of the former methods, an approach to calculate a profile likelihood on arbitrary observations for a specific time point has been introduced, which provides accurate confidence and prediction intervals for nonlinear models and is computationally feasible for high-dimensional models. In this article, reliable and smooth point-wise prediction and confidence bands to assess the model's uncertainty on the whole time-course are achieved via explicit integration with elaborate correction mechanisms. The corresponding system of ordinary differential equations is derived and tested on three established models for cellular signalling. An efficiency analysis is performed to illustrate the computational benefit compared with repeated profile likelihood calculations at multiple time points. The integration framework and the examples used in this article are provided with the software package Data2Dynamics, which is based on MATLAB and freely available at http://www.data2dynamics.org helge.hass@fdm.uni-freiburg.de Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Human Fear Conditioning and Extinction in Neuroimaging: A Systematic Review

PubMed Central

Sehlmeyer, Christina; Schöning, Sonja; Zwitserlood, Pienie; Pfleiderer, Bettina; Kircher, Tilo; Arolt, Volker; Konrad, Carsten

2009-01-01

Fear conditioning and extinction are basic forms of associative learning that have gained considerable clinical relevance in enhancing our understanding of anxiety disorders and facilitating their treatment. Modern neuroimaging techniques have significantly aided the identification of anatomical structures and networks involved in fear conditioning. On closer inspection, there is considerable variation in methodology and results between studies. This systematic review provides an overview of the current neuroimaging literature on fear conditioning and extinction on healthy subjects, taking into account methodological issues such as the conditioning paradigm. A Pubmed search, as of December 2008, was performed and supplemented by manual searches of bibliographies of key articles. Two independent reviewers made the final study selection and data extraction. A total of 46 studies on cued fear conditioning and/or extinction on healthy volunteers using positron emission tomography or functional magnetic resonance imaging were reviewed. The influence of specific experimental factors, such as contingency and timing parameters, assessment of conditioned responses, and characteristics of conditioned and unconditioned stimuli, on cerebral activation patterns was examined. Results were summarized descriptively. A network consisting of fear-related brain areas, such as amygdala, insula, and anterior cingulate cortex, is activated independently of design parameters. However, some neuroimaging studies do not report these findings in the presence of methodological heterogeneities. Furthermore, other brain areas are differentially activated, depending on specific design parameters. These include stronger hippocampal activation in trace conditioning and tactile stimulation. Furthermore, tactile unconditioned stimuli enhance activation of pain related, motor, and somatosensory areas. Differences concerning experimental factors may partly explain the variance between neuroimaging investigations on human fear conditioning and extinction and should, therefore, be taken into serious consideration in the planning and the interpretation of research projects. PMID:19517024

Towards a consensus-based biokinetic model for green microalgae - The ASM-A.

PubMed

Wágner, Dorottya S; Valverde-Pérez, Borja; Sæbø, Mariann; Bregua de la Sotilla, Marta; Van Wagenen, Jonathan; Smets, Barth F; Plósz, Benedek Gy

2016-10-15

Cultivation of microalgae in open ponds and closed photobioreactors (PBRs) using wastewater resources offers an opportunity for biochemical nutrient recovery. Effective reactor system design and process control of PBRs requires process models. Several models with different complexities have been developed to predict microalgal growth. However, none of these models can effectively describe all the relevant processes when microalgal growth is coupled with nutrient removal and recovery from wastewaters. Here, we present a mathematical model developed to simulate green microalgal growth (ASM-A) using the systematic approach of the activated sludge modelling (ASM) framework. The process model - identified based on a literature review and using new experimental data - accounts for factors influencing photoautotrophic and heterotrophic microalgal growth, nutrient uptake and storage (i.e. Droop model) and decay of microalgae. Model parameters were estimated using laboratory-scale batch and sequenced batch experiments using the novel Latin Hypercube Sampling based Simplex (LHSS) method. The model was evaluated using independent data obtained in a 24-L PBR operated in sequenced batch mode. Identifiability of the model was assessed. The model can effectively describe microalgal biomass growth, ammonia and phosphate concentrations as well as the phosphorus storage using a set of average parameter values estimated with the experimental data. A statistical analysis of simulation and measured data suggests that culture history and substrate availability can introduce significant variability on parameter values for predicting the reaction rates for bulk nitrate and the intracellularly stored nitrogen state-variables, thereby requiring scenario specific model calibration. ASM-A was identified using standard cultivation medium and it can provide a platform for extensions accounting for factors influencing algal growth and nutrient storage using wastewater resources. Copyright © 2016 Elsevier Ltd. All rights reserved.

A flexible, interactive software tool for fitting the parameters of neuronal models

PubMed Central

Friedrich, Péter; Vella, Michael; Gulyás, Attila I.; Freund, Tamás F.; Káli, Szabolcs

2014-01-01

The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible) the corresponding output of a real neuron according to some predefined criterion. Although the task of model optimization is often computationally hard, and the quality of the results depends heavily on technical issues such as the appropriate choice (and implementation) of cost functions and optimization algorithms, no existing program provides access to the best available methods while also guiding the user through the process effectively. Our software, called Optimizer, implements a modular and extensible framework for the optimization of neuronal models, and also features a graphical interface which makes it easy for even non-expert users to handle many commonly occurring scenarios. Meanwhile, educated users can extend the capabilities of the program and customize it according to their needs with relatively little effort. Optimizer has been developed in Python, takes advantage of open-source Python modules for nonlinear optimization, and interfaces directly with the NEURON simulator to run the models. Other simulators are supported through an external interface. We have tested the program on several different types of problems of varying complexity, using different model classes. As targets, we used simulated traces from the same or a more complex model class, as well as experimental data. We successfully used Optimizer to determine passive parameters and conductance densities in compartmental models, and to fit simple (adaptive exponential integrate-and-fire) neuronal models to complex biological data. Our detailed comparisons show that Optimizer can handle a wider range of problems, and delivers equally good or better performance than any other existing neuronal model fitting tool. PMID:25071540

Assessing the Impact of Model Parameter Uncertainty in Simulating Grass Biomass Using a Hybrid Carbon Allocation Strategy

NASA Astrophysics Data System (ADS)

Reyes, J. J.; Adam, J. C.; Tague, C.

2016-12-01

Grasslands play an important role in agricultural production as forage for livestock; they also provide a diverse set of ecosystem services including soil carbon (C) storage. The partitioning of C between above and belowground plant compartments (i.e. allocation) is influenced by both plant characteristics and environmental conditions. The objectives of this study are to 1) develop and evaluate a hybrid C allocation strategy suitable for grasslands, and 2) apply this strategy to examine the importance of various parameters related to biogeochemical cycling, photosynthesis, allocation, and soil water drainage on above and belowground biomass. We include allocation as an important process in quantifying the model parameter uncertainty, which identifies the most influential parameters and what processes may require further refinement. For this, we use the Regional Hydro-ecologic Simulation System, a mechanistic model that simulates coupled water and biogeochemical processes. A Latin hypercube sampling scheme was used to develop parameter sets for calibration and evaluation of allocation strategies, as well as parameter uncertainty analysis. We developed the hybrid allocation strategy to integrate both growth-based and resource-limited allocation mechanisms. When evaluating the new strategy simultaneously for above and belowground biomass, it produced a larger number of less biased parameter sets: 16% more compared to resource-limited and 9% more compared to growth-based. This also demonstrates its flexible application across diverse plant types and environmental conditions. We found that higher parameter importance corresponded to sub- or supra-optimal resource availability (i.e. water, nutrients) and temperature ranges (i.e. too hot or cold). For example, photosynthesis-related parameters were more important at sites warmer than the theoretical optimal growth temperature. Therefore, larger values of parameter importance indicate greater relative sensitivity in adequately representing the relevant process to capture limiting resources or manage atypical environmental conditions. These results may inform future experimental work by focusing efforts on quantifying specific parameters under various environmental conditions or across diverse plant functional types.

Modeling of the Dorsal Gradient across Species Reveals Interaction between Embryo Morphology and Toll Signaling Pathway during Evolution

PubMed Central

Koslen, Hannah R.; Chiel, Hillel J.; Mizutani, Claudia Mieko

2014-01-01

Morphogenetic gradients are essential to allocate cell fates in embryos of varying sizes within and across closely related species. We previously showed that the maternal NF-κB/Dorsal (Dl) gradient has acquired different shapes in Drosophila species, which result in unequally scaled germ layers along the dorso-ventral axis and the repositioning of the neuroectodermal borders. Here we combined experimentation and mathematical modeling to investigate which factors might have contributed to the fast evolutionary changes of this gradient. To this end, we modified a previously developed model that employs differential equations of the main biochemical interactions of the Toll (Tl) signaling pathway, which regulates Dl nuclear transport. The original model simulations fit well the D. melanogaster wild type, but not mutant conditions. To broaden the applicability of this model and probe evolutionary changes in gradient distributions, we adjusted a set of 19 independent parameters to reproduce three quantified experimental conditions (i.e. Dl levels lowered, nuclear size and density increased or decreased). We next searched for the most relevant parameters that reproduce the species-specific Dl gradients. We show that adjusting parameters relative to morphological traits (i.e. embryo diameter, nuclear size and density) alone is not sufficient to reproduce the species Dl gradients. Since components of the Tl pathway simulated by the model are fast-evolving, we next asked which parameters related to Tl would most effectively reproduce these gradients and identified a particular subset. A sensitivity analysis reveals the existence of nonlinear interactions between the two fast-evolving traits tested above, namely the embryonic morphological changes and Tl pathway components. Our modeling further suggests that distinct Dl gradient shapes observed in closely related melanogaster sub-group lineages may be caused by similar sequence modifications in Tl pathway components, which are in agreement with their phylogenetic relationships. PMID:25165818

Magnetized liquid 3He at finite temperature: A variational calculation approach

NASA Astrophysics Data System (ADS)

Bordbar, Gholam Hossein; Mohammadi Sabet, Mohammad Taghi

2016-08-01

Using the spin-dependent (SD) and spin-independent (SI) correlation functions, we have investigated the properties of liquid 3He in the presence of magnetic field at finite temperature. Our calculations have been done using the variational method based on cluster expansion of the energy functional. Our results show that the low field magnetic susceptibility obeys Curie law at high temperatures. This behavior is in a good agreement with the experimental data as well as the molecular field theory results in which the spin dependency has been introduced in correlation function. Reduced susceptibility as a function of temperature as well as reduced temperature has been also investigated, and again we have seen that the spin-dependent correlation function leads to a good agreement with the experimental data. The Landau parameter, F0a, has been calculated, and for this parameter, a value about - 0.75 has been found in the case of spin-spin correlation. In the case of spin-independent correlation function, this value is about - 0.7. Therefore, inclusion of spin dependency in the correlation function leads to a more compatible value of F0a with experimental data. The magnetization and susceptibility of liquid 3He have also been investigated as a function of magnetic field. Our results show a downward curvature in magnetization of system with spin-dependent correlation for all densities and relevant temperatures. A metamagnetic behavior has been observed as a maximum in susceptibility versus magnetic field, when the spin-spin correlation has been considered. This maximum occurs at 45T ≤ B ≤ 100T for all densities and temperatures. This behavior has not been observed in the case of spin-independent correlation function.

New methodology for mechanical characterization of human superficial facial tissue anisotropic behaviour in vivo.

PubMed

Then, C; Stassen, B; Depta, K; Silber, G

2017-07-01

Mechanical characterization of human superficial facial tissue has important applications in biomedical science, computer assisted forensics, graphics, and consumer goods development. Specifically, the latter may include facial hair removal devices. Predictive accuracy of numerical models and their ability to elucidate biomechanically relevant questions depends on the acquisition of experimental data and mechanical tissue behavior representation. Anisotropic viscoelastic behavioral characterization of human facial tissue, deformed in vivo with finite strain, however, is sparse. Employing an experimental-numerical approach, a procedure is presented to evaluate multidirectional tensile properties of superficial tissue layers of the face in vivo. Specifically, in addition to stress relaxation, displacement-controlled multi-step ramp-and-hold protocols were performed to separate elastic from inelastic properties. For numerical representation, an anisotropic hyperelastic material model in conjunction with a time domain linear viscoelasticity formulation with Prony series was employed. Model parameters were inversely derived, employing finite element models, using multi-criteria optimization. The methodology provides insight into mechanical superficial facial tissue properties. Experimental data shows pronounced anisotropy, especially with large strain. The stress relaxation rate does not depend on the loading direction, but is strain-dependent. Preconditioning eliminates equilibrium hysteresis effects and leads to stress-strain repeatability. In the preconditioned state tissue stiffness and hysteresis insensitivity to strain rate in the applied range is evident. The employed material model fits the nonlinear anisotropic elastic results and the viscoelasticity model reasonably reproduces time-dependent results. Inversely deduced maximum anisotropic long-term shear modulus of linear elasticity is G ∞,max aniso =2.43kPa and instantaneous initial shear modulus at an applied rate of ramp loading is G 0,max aniso =15.38kPa. Derived mechanical model parameters constitute a basis for complex skin interaction simulation. Copyright © 2017. Published by Elsevier Ltd.

Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence.

PubMed

Rufeil-Fiori, Elena; Banchio, Adolfo J

2018-03-07

In lipid monolayers with phase coexistence, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normally distributed size domains. For this purpose, we vary the relevant system parameters, polydispersity and interaction strength, within a range of experimental interest. We also analyze the consequences of using a monodisperse model to determine the interaction strength from an experimental RDF. We find that polydispersity strongly affects the value of the interaction strength, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, by suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.

Neutron-antineutron oscillations: Theoretical status and experimental prospects

DOE PAGES

Phillips, D. G.; Snow, W. M.; Babu, K.; ...

2016-02-01

This paper summarizes the relevant theoretical developments, outlines some ideas to improve experimental searches for free neutron-antineutron oscillations, and suggests avenues for future improvement in the experimental sensitivity.

Quasi-experimental study designs series-paper 11: supporting the production and use of health systems research syntheses that draw on quasi-experimental study designs.

PubMed

Lavis, John N; Bärnighausen, Till; El-Jardali, Fadi

2017-09-01

To describe the infrastructure available to support the production of policy-relevant health systems research syntheses, particularly those incorporating quasi-experimental evidence, and the tools available to support the use of these syntheses. Literature review. The general challenges associated with the available infrastructure include their sporadic nature or limited coverage of issues and countries, whereas the specific ones related to policy-relevant syntheses of quasi-experimental evidence include the lack of mechanism to register synthesis titles and scoping review protocols, the limited number of groups preparing user-friendly summaries, and the difficulty of finding quasi-experimental studies for inclusion in rapid syntheses and research syntheses more generally. Although some new tools have emerged in recent years, such as guidance workbooks and citizen briefs and panels, challenges related to using available tools to support the use of policy-relevant syntheses of quasi-experimental evidence arise from such studies potentially being harder for policymakers and stakeholders to commission and understand. Policymakers, stakeholders, and researchers need to expand the coverage and institutionalize the use of the available infrastructure and tools to support the use of health system research syntheses containing quasi-experimental evidence. Copyright © 2017 Elsevier Inc. All rights reserved.

40 CFR 63.2990 - Can I conduct short-term experimental production runs that cause parameters to deviate from...

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Can I conduct short-term experimental... I conduct short-term experimental production runs that cause parameters to deviate from operating limits? With the approval of the Administrator, you may conduct short-term experimental production runs...

40 CFR 63.2990 - Can I conduct short-term experimental production runs that cause parameters to deviate from...

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Can I conduct short-term experimental... I conduct short-term experimental production runs that cause parameters to deviate from operating limits? With the approval of the Administrator, you may conduct short-term experimental production runs...

Perceptions of Information Relevance and Importance under Truel Stress.

DTIC Science & Technology

information relevance and importance was investigated. Control groups exposed to four periods of duel (two nation) conflict did not modify their...perception of information relevance and importance. Experimental groups exposed to four periods of duel conflict, threat of potential truel conflict, threat

Exchange interaction and the tunneling induced transparency in coupled quantum dots

NASA Astrophysics Data System (ADS)

Borges, Halyne; Alcalde, Augusto; Ulloa, Sergio

2014-03-01

Stacked semiconductor quantum dots coupled by tunneling are unique ``quantum molecule'' where it is possible to create a multilevel structure of excitonic states. This structure allows the investigation of quantum interference processes and their control via electric external fields. In this work, we investigate the optical response of a quantum molecule coherently driven by a polarized laser, considering the splitting in excitonic levels caused by isotropic and anisotropic exchange interactions. In our model we consider interdot transitions mediated by the the hole tunneling between states with the same total spin and, between bright and dark exciton states. Using realistic experimental parameters, we demonstrate that the excitonic states coupled by tunneling exhibit an enriched and controllable optical response. Our results show that through the appropriate control of the external electric field and light polarization, the tunneling coupling establishes an efficient destructive quantum interference path that creates a transparency window in the absorption spectra, whenever states of appropriate symmetry are mixed by the hole tunneling. We explore the relevant parameters space that would allows with the experiments. CAPES, INCT-IQ and MWN/CIAM-NSF.

Exchange interaction and tunneling-induced transparency in coupled quantum dots

NASA Astrophysics Data System (ADS)

Borges, H. S.; Alcalde, A. M.; Ulloa, Sergio E.

2014-11-01

We investigate the optical response of quantum dot molecules coherently driven by polarized laser light. Our description includes the splitting in excitonic levels caused by isotropic and anisotropic exchange interactions. We consider interdot transitions mediated by hole tunneling between states with the same total angular momentum and between bright and dark exciton states as allowed by spin-flip hopping between the dots in the molecule. Using realistic experimental parameters we demonstrate that the excitonic states coupled by tunneling exhibit a rich and controllable optical response. We show that through the appropriate control of an external electric field and light polarization, the tunneling coupling establishes an efficient destructive quantum interference path that creates a transparency window in the absorption spectra whenever states of appropriate symmetry are mixed by the carrier tunneling. We explore the relevant parameter space that allows probing this phenomenon in experiments. Controlled variation in applied field and laser detuning would allow the optical characterization of spin-preserving and spin-flip hopping amplitudes in such systems by measuring the width of the tunneling-induced transparency windows.

Optimal Cytoplasmic Transport in Viral Infections

PubMed Central

D'Orsogna, Maria R.; Chou, Tom

2009-01-01

For many viruses, the ability to infect eukaryotic cells depends on their transport through the cytoplasm and across the nuclear membrane of the host cell. During this journey, viral contents are biochemically processed into complexes capable of both nuclear penetration and genomic integration. We develop a stochastic model of viral entry that incorporates all relevant aspects of transport, including convection along microtubules, biochemical conversion, degradation, and nuclear entry. Analysis of the nuclear infection probabilities in terms of the transport velocity, degradation, and biochemical conversion rates shows how certain values of key parameters can maximize the nuclear entry probability of the viral material. The existence of such “optimal” infection scenarios depends on the details of the biochemical conversion process and implies potentially counterintuitive effects in viral infection, suggesting new avenues for antiviral treatment. Such optimal parameter values provide a plausible transport-based explanation of the action of restriction factors and of experimentally observed optimal capsid stability. Finally, we propose a new interpretation of how genetic mutations unrelated to the mechanism of drug action may nonetheless confer novel types of overall drug resistance. PMID:20046829

Freak waves in negative-ion plasmas: an experiment revisited

NASA Astrophysics Data System (ADS)

Kourakis, Ioannis; Elkamash, Ibrahem; Reville, Brian

2016-10-01

Extreme events in the form of rogue waves (freak waves) occur widely in the open sea. These are space- and time-localised excitations, which appear unexpectedly and are characterised by a significant amplitude. Beyond ocean dynamics, the mechanisms underlying rogue wave formation are now being investigated in various physical contexts, including materials science, nonlinear optics and plasma physics, to mention but a few. We have undertaken an investigation, from first principles, of the occurrence of rogue waves associated with the propagation of electrostatic wavepackets in plasmas. Motivated by recent experimental considerations involving freak waves in negative-ion plasmas (NIP), we have addresed the occurrence of freak waves in NIP from first principles. An extended range of plasma parameter values was identified, where freak wave formation is possible, in terms of relevant plasma parameters. Our results extend -and partly contradict- the underlying assumptions in the interpretation of the aforementioned experiment, where a critical plasma configuration was considered and a Gardner equation approach was adopted. This work was supported from CPP/QUB funding. One of us (I. Elkamash) acknowledges financial support by an Egyptian Government fellowship.

Prospects for measuring the fuel ion ratio in burning ITER plasmas using a DT neutron emission spectrometer

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

Hellesen, C.; Skiba, M., E-mail: mateusz.skiba@physics.uu.se; Dzysiuk, N.

2014-11-15

The fuel ion ratio n{sub t}/n{sub d} is an essential parameter for plasma control in fusion reactor relevant applications, since maximum fusion power is attained when equal amounts of tritium (T) and deuterium (D) are present in the plasma, i.e., n{sub t}/n{sub d} = 1.0. For neutral beam heated plasmas, this parameter can be measured using a single neutron spectrometer, as has been shown for tritium concentrations up to 90%, using data obtained with the MPR (Magnetic Proton Recoil) spectrometer during a DT experimental campaign at the Joint European Torus in 1997. In this paper, we evaluate the demands thatmore » a DT spectrometer has to fulfill to be able to determine n{sub t}/n{sub d} with a relative error below 20%, as is required for such measurements at ITER. The assessment shows that a back-scattering time-of-flight design is a promising concept for spectroscopy of 14 MeV DT emission neutrons.« less

Realistic simplified gaugino-higgsino models in the MSSM

NASA Astrophysics Data System (ADS)

Fuks, Benjamin; Klasen, Michael; Schmiemann, Saskia; Sunder, Marthijn

2018-03-01

We present simplified MSSM models for light neutralinos and charginos with realistic mass spectra and realistic gaugino-higgsino mixing, that can be used in experimental searches at the LHC. The formerly used naive approach of defining mass spectra and mixing matrix elements manually and independently of each other does not yield genuine MSSM benchmarks. We suggest the use of less simplified, but realistic MSSM models, whose mass spectra and mixing matrix elements are the result of a proper matrix diagonalisation. We propose a novel strategy targeting the design of such benchmark scenarios, accounting for user-defined constraints in terms of masses and particle mixing. We apply it to the higgsino case and implement a scan in the four relevant underlying parameters {μ , tan β , M1, M2} for a given set of light neutralino and chargino masses. We define a measure for the quality of the obtained benchmarks, that also includes criteria to assess the higgsino content of the resulting charginos and neutralinos. We finally discuss the distribution of the resulting models in the MSSM parameter space as well as their implications for supersymmetric dark matter phenomenology.

Monochloramine Cometabolism by Mixed-Culture Nitrifiers ...

EPA Pesticide Factsheets

The current research investigated monochloramine cometabolism by nitrifying mixed cultures grown under drinking water relevant conditions and harvested from sand-packed reactors before conducting suspended growth batch kinetic experiments. Three batch reactors were used in each experiment: (1) a positive control to estimate ammonia kinetic parameters, (2) a negative control to account for abiotic reactions, and (3) a cometabolism reactor to estimate cometabolism kinetic constants. Kinetic parameters were estimated in AQUASIM with a simultaneous fit to all experimental data. Cometabolism kinetics were best described by a first order model. Monochloramine cometabolism kinetics were similar to those of ammonia metabolism, and monochloramine cometabolism was a significant loss mechanism (30% of the observed monochloramine loss). These results demonstrated that monochloramine cometabolism occurred in mixed cultures similar to those found in drinking water distribution systems; thus, cometabolism may be a significant contribution to monochloramine loss during nitrification episodes in drinking water distribution systems. The results demonstrated that monochloramine cometabolism occurred in mixed cultures similar to those found in drinking water distribution systems; thus, cometabolism may be a significant contribution to monochloramine loss during nitrification episodes in drinking water distribution systems.

Multimodal transport and dispersion of organelles in narrow tubular cells

NASA Astrophysics Data System (ADS)

Mogre, Saurabh S.; Koslover, Elena F.

2018-04-01

Intracellular components explore the cytoplasm via active motor-driven transport in conjunction with passive diffusion. We model the motion of organelles in narrow tubular cells using analytical techniques and numerical simulations to study the efficiency of different transport modes in achieving various cellular objectives. Our model describes length and time scales over which each transport mode dominates organelle motion, along with various metrics to quantify exploration of intracellular space. For organelles that search for a specific target, we obtain the average capture time for given transport parameters and show that diffusion and active motion contribute to target capture in the biologically relevant regime. Because many organelles have been found to tether to microtubules when not engaged in active motion, we study the interplay between immobilization due to tethering and increased probability of active transport. We derive parameter-dependent conditions under which tethering enhances long-range transport and improves the target capture time. These results shed light on the optimization of intracellular transport machinery and provide experimentally testable predictions for the effects of transport regulation mechanisms such as tethering.

Review of the outer scale of the atmospheric turbulence

NASA Astrophysics Data System (ADS)

Ziad, Aziz

2016-07-01

Outer scale is a relevant parameter for the experimental performance evaluation of large telescopes. Different techniques have been used for the outer scale estimation. In situ measurements with radiosounding balloons have given very small values of outer scale. This latter has also been estimated directly at the ground level from the wavefront analysis with High Angular Resolution (HAR) techniques using interferometric or Shack-Hartmann or more generally AO systems data. Dedicated instruments have been also developed for the outer scale monitoring such as the Generalized Seeing Monitor (GSM) and the Monitor of Outer Scale Profile (MOSP). The measured values of outer scale from HAR techniques, GSM and MOSP are somewhat coherent and are larger than the in situ results. The main explanation of this difference comes from the definition of the outer scale itself. This paper aims to give a review in a non-exhaustive way of different techniques and instruments for the measurement of the outer scale. Comparisons of outer scale measurements will be discussed in the light of the different definitions of this parameter, the associated observable quantities and the atmospheric turbulence model as well.

Theoretical and experimental evaluation of piezo-optic parameters and photoelastic constant in tetragonal PWO.

PubMed

Natali, Pier Paolo; Montalto, Luigi; Daví, Fabrizio; Mengucci, Paolo; Ciriaco, Andrea; Paone, Nicola; Rinaldi, Daniele

2018-02-01

The tetragonal PbWO 4 (PWO) is one of the most important scintillating crystals, being used both in the Compact Muon Solenoid (CMS) experiment at the European Organization for Nuclear Research (CERN) and in the PANDA project at the Facility for Antiproton and Ion Research (FAIR). Light yield and other relevant scintillation properties depend, among many factors, also on the crystal mechanical quality. Accordingly, a detailed knowledge of crystal piezo-optic properties is a mandatory step toward understanding elasto-optic behavior and performing crystal quality control. In this paper, we evaluate for the first time, to the best of our knowledge, by means of both photoelastic and x-ray measurements, some components of the piezo-optic tensor; moreover, when the crystal is acted upon by a uniaxial stress, we obtain an evaluation for the rotation angle of the optic plane under stress as well as the photoelastic constant. These parameters are necessary to detect the residual stresses within the crystal, if any, and to give an overall quality measure. Such a methodology is in general suitable for any tetragonal crystals.

Differential carrier lifetime and transport effects in electrically injected III-nitride light-emitting diodes

NASA Astrophysics Data System (ADS)

Rashidi, A.; Nami, M.; Monavarian, M.; Aragon, A.; DaVico, K.; Ayoub, F.; Mishkat-Ul-Masabih, S.; Rishinaramangalam, A.; Feezell, D.

2017-07-01

This work describes a small-signal microwave method for determining the differential carrier lifetime and transport effects in electrically injected InGaN/GaN light-emitting diodes (LEDs). By considering the carrier diffusion, capture, thermionic escape, and recombination, the rate equations are used to derive an equivalent small-signal electrical circuit for the LEDs, from which expressions for the input impedance and modulation response are obtained. The expressions are simultaneously fit to the experimental data for the input impedance and modulation response for nonpolar InGaN/GaN micro-LEDs on free-standing GaN substrates. The fittings are used to extract the transport related circuit parameters and differential carrier lifetimes. The dependence of the parameters on the device diameter and current density is reported. We also derive approximations for the modulation response under low and high injection levels and show that the transport of carriers affects the modulation response of the device, especially at low injection levels. The methods presented are relevant to the design of high-speed LEDs for visible-light communication.

Prediction of the chromatographic retention of acid-base compounds in pH buffered methanol-water mobile phases in gradient mode by a simplified model.

PubMed

Andrés, Axel; Rosés, Martí; Bosch, Elisabeth

2015-03-13

Retention of ionizable analytes under gradient elution depends on the pH of the mobile phase, the pKa of the analyte and their evolution along the programmed gradient. In previous work, a model depending on two fitting parameters was recommended because of its very favorable relationship between accuracy and required experimental work. It was developed using acetonitrile as the organic modifier and involves pKa modeling by means of equations that take into account the acidic functional group of the compound (carboxylic acid, protonated amine, etc.). In this work, the two-parameter predicting model is tested and validated using methanol as the organic modifier of the mobile phase and several compounds of higher pharmaceutical relevance and structural complexity as testing analytes. The results have been quite good overall, showing that the predicting model is applicable to a wide variety of acid-base compounds using mobile phases prepared with acetonitrile or methanol. Copyright © 2015 Elsevier B.V. All rights reserved.

Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses

NASA Astrophysics Data System (ADS)

Zhang, Rui; Schweizer, Kenneth

We generalize our force-level, self-consistent nonlinear Langevin equation theory of activated diffusion of a dilute spherical penetrant in hard sphere fluids to predict the long-time diffusivity of molecular penetrants in supercooled polymer liquids and non-aging glasses. Chemical complexity is treated using an a priori mapping to a temperature-dependent hard sphere mixture model where polymers are disconnected into effective spheres based on the Kuhn length as the relevant coarse graining scale. A key parameter for mobility is the penetrant to polymer segment diameter ratio, R. Our calculations agree well with experimental measurements for a wide range of temperatures, penetrant sizes (from gas molecules with R ~0.3 to aromatic molecules with R ~1) and diverse amorphous polymers, over 10 decades variation of penetrant diffusivity. Structural parameter transferability is good. We have also formulated a theory at finite penetrant loading for the coupled penetrant-polymer dynamics in chemically (nearly) matched mixtures (e.g., toluene-polystyrene) which captures well the increase of penetrant diffusivity and decrease of polymer matrix vitrification temperature with increasing loading.

Electric polarization control of magnetoresistance in complex oxide heterojunctions

NASA Astrophysics Data System (ADS)

Swartz, Adrian G.; Inoue, Hisashi; Hwang, Harold Y.

2016-10-01

Lorentzian magnetoresistance (L-MR) has been widely observed in three-terminal ferromagnet-nonmagnet (FM-NM) tunnel junctions. One possible explanation for this behavior is ensemble dephasing (Hanle effect) of a spin accumulation, potentially offering a powerful approach for characterizing the spin lifetime of emerging spintronics materials. However, discrepancies between the extracted spin parameters with known materials properties has cast doubt on this interpretation for most implementations. Here, we have developed a method to control band alignments in perovskite oxide heterostructures through the use of epitaxial interface dipoles, providing a highly effective method for manipulating the Schottky barrier height and contact resistance. Using these atomically engineered heterojunctions, we are able to tune key parameters relevant to various spin accumulation models, providing an experimental platform which can test their applicability. We find that the observed L-MR is inconsistent with an interpretation of spin accumulation in either the NM material or in interface states. Rather, we consider a mechanism analogous to Coulomb blockade in quantum dots, where spin-dependent tunneling through an ensemble of interfacial defect states is controlled by local and external magnetic fields.

Conditionals and inferential connections: A hypothetical inferential theory.

PubMed

Douven, Igor; Elqayam, Shira; Singmann, Henrik; van Wijnbergen-Huitink, Janneke

2018-03-01

Intuition suggests that for a conditional to be evaluated as true, there must be some kind of connection between its component clauses. In this paper, we formulate and test a new psychological theory to account for this intuition. We combined previous semantic and psychological theorizing to propose that the key to the intuition is a relevance-driven, satisficing-bounded inferential connection between antecedent and consequent. To test our theory, we created a novel experimental paradigm in which participants were presented with a soritical series of objects, notably colored patches (Experiments 1 and 4) and spheres (Experiment 2), or both (Experiment 3), and were asked to evaluate related conditionals embodying non-causal inferential connections (such as "If patch number 5 is blue, then so is patch number 4"). All four experiments displayed a unique response pattern, in which (largely determinate) responses were sensitive to parameters determining inference strength, as well as to consequent position in the series, in a way analogous to belief bias. Experiment 3 showed that this guaranteed relevance can be suppressed, with participants reverting to the defective conditional. Experiment 4 showed that this pattern can be partly explained by a measure of inference strength. This pattern supports our theory's "principle of relevant inference" and "principle of bounded inference," highlighting the dual processing characteristics of the inferential connection. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Computational design of short pulse laser driven iron opacity experiments

DOE PAGES

Martin, M. E.; London, R. A.; Goluoglu, S.; ...

2017-02-23

Here, the resolution of current disagreements between solar parameters calculated from models and observations would benefit from the experimental validation of theoretical opacity models. Iron's complex ionic structure and large contribution to the opacity in the radiative zone of the sun make iron a good candidate for validation. Short pulse lasers can be used to heat buried layer targets to plasma conditions comparable to the radiative zone of the sun, and the frequency dependent opacity can be inferred from the target's measured x-ray emission. Target and laser parameters must be optimized to reach specific plasma conditions and meet x-ray emissionmore » requirements. The HYDRA radiation hydrodynamics code is used to investigate the effects of modifying laser irradiance and target dimensions on the plasma conditions, x-ray emission, and inferred opacity of iron and iron-magnesium buried layer targets. It was determined that plasma conditions are dominantly controlled by the laser energy and the tamper thickness. The accuracy of the inferred opacity is sensitive to tamper emission and optical depth effects. Experiments at conditions relevant to the radiative zone of the sun would investigate the validity of opacity theories important to resolving disagreements between solar parameters calculated from models and observations.« less

Computational design of short pulse laser driven iron opacity experiments

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

Martin, M. E.; London, R. A.; Goluoglu, S.

Here, the resolution of current disagreements between solar parameters calculated from models and observations would benefit from the experimental validation of theoretical opacity models. Iron's complex ionic structure and large contribution to the opacity in the radiative zone of the sun make iron a good candidate for validation. Short pulse lasers can be used to heat buried layer targets to plasma conditions comparable to the radiative zone of the sun, and the frequency dependent opacity can be inferred from the target's measured x-ray emission. Target and laser parameters must be optimized to reach specific plasma conditions and meet x-ray emissionmore » requirements. The HYDRA radiation hydrodynamics code is used to investigate the effects of modifying laser irradiance and target dimensions on the plasma conditions, x-ray emission, and inferred opacity of iron and iron-magnesium buried layer targets. It was determined that plasma conditions are dominantly controlled by the laser energy and the tamper thickness. The accuracy of the inferred opacity is sensitive to tamper emission and optical depth effects. Experiments at conditions relevant to the radiative zone of the sun would investigate the validity of opacity theories important to resolving disagreements between solar parameters calculated from models and observations.« less

Disentangling the adult attention-deficit hyperactivity disorder endophenotype: parametric measurement of attention.

PubMed

Finke, Kathrin; Schwarzkopf, Wolfgang; Müller, Ulrich; Frodl, Thomas; Müller, Hermann J; Schneider, Werner X; Engel, Rolf R; Riedel, Michael; Möller, Hans-Jürgen; Hennig-Fast, Kristina

2011-11-01

Attention deficit hyperactivity disorder (ADHD) persists frequently into adulthood. The decomposition of endophenotypes by means of experimental neuro-cognitive assessment has the potential to improve diagnostic assessment, evaluation of treatment response, and disentanglement of genetic and environmental influences. We assessed four parameters of attentional capacity and selectivity derived from simple psychophysical tasks (verbal report of briefly presented letter displays) and based on a "theory of visual attention." These parameters are mathematically independent, quantitative measures, and previous studies have shown that they are highly sensitive for subtle attention deficits. Potential reductions of attentional capacity, that is, of perceptual processing speed and working memory storage capacity, were assessed with a whole report paradigm. Furthermore, possible pathologies of attentional selectivity, that is, selection of task-relevant information and bias in the spatial distribution of attention, were measured with a partial report paradigm. A group of 30 unmedicated adult ADHD patients and a group of 30 demographically matched healthy controls were tested. ADHD patients showed significant reductions of working memory storage capacity of a moderate to large effect size. Perceptual processing speed, task-based, and spatial selection were unaffected. The results imply a working memory deficit as an important source of behavioral impairments. The theory of visual attention parameter working memory storage capacity might constitute a quantifiable and testable endophenotype of ADHD.

Mathematics as a Conduit for Translational Research in Post-Traumatic Osteoarthritis

PubMed Central

Ayati, Bruce P.; Kapitanov, Georgi I.; Coleman, Mitchell C.; Anderson, Donald D.; Martin, James A.

2016-01-01

Biomathematical models offer a powerful method of clarifying complex temporal interactions and the relationships among multiple variables in a system. We present a coupled in silico biomathematical model of articular cartilage degeneration in response to impact and/or aberrant loading such as would be associated with injury to an articular joint. The model incorporates fundamental biological and mechanical information obtained from explant and small animal studies to predict post-traumatic osteoarthritis (PTOA) progression, with an eye toward eventual application in human patients. In this sense, we refer to the mathematics as a “conduit of translation”. The new in silico framework presented in this paper involves a biomathematical model for the cellular and biochemical response to strains computed using finite element analysis. The model predicts qualitative responses presently, utilizing system parameter values largely taken from the literature. To contribute to accurate predictions, models need to be accurately parameterized with values that are based on solid science. We discuss a parameter identification protocol that will enable us to make increasingly accurate predictions of PTOA progression using additional data from smaller scale explant and small animal assays as they become available. By distilling the data from the explant and animal assays into parameters for biomathematical models, mathematics can translate experimental data to clinically relevant knowledge. PMID:27653021

Detection of Supernova Neutrinos on the Earth for Large θ13

NASA Astrophysics Data System (ADS)

Xu, Jing; Huang, Ming-Yang; Hu, Li-Jun; Guo, Xin-Heng; Young, Bing-Lin

2014-02-01

Supernova (SN) neutrinos detected on the Earth are subject to the shock wave effects, the Mikheyev—Smirnov—Wolfenstein (MSW) effects, the neutrino collective effects and the Earth matter effects. Considering the recent experimental result about the large mixing angle θ13 (≃ 8.8°) provided by the Daya Bay Collaboration and applying the available knowledge for the neutrino conversion probability in the high resonance region of SN, PH, which is in the form of hypergeometric function in the case of large θ13, we deduce the expression of PH taking into account the shock wave effects. It is found that PH is not zero in a certain range of time due to the shock wave effects. After considering all the four physical effects and scanning relevant parameters, we calculate the event numbers of SN neutrinos for the “Garching” distribution of neutrino energy spectrum. From the numerical results, it is found that the behaviors of neutrino event numbers detected on the Earth depend on the neutrino mass hierarchy and neutrino spectrum parameters including the dimensionless pinching parameter βα (where α refers to neutrino flavor), the average energy , and the SN neutrino luminosities Lα. Finally, we give the ranges of SN neutrino event numbers that will be detected at the Daya Bay experiment.

Capsule Performance Optimization in the National Ignition Campaign

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

Landen, O L; MacGowan, B J; Haan, S W

2009-10-13

A capsule performance optimization campaign will be conducted at the National Ignition Facility to substantially increase the probability of ignition. The campaign will experimentally correct for residual uncertainties in the implosion and hohlraum physics used in our radiation-hydrodynamic computational models before proceeding to cryogenic-layered implosions and ignition attempts. The required tuning techniques using a variety of ignition capsule surrogates have been demonstrated at the Omega facility under scaled hohlraum and capsule conditions relevant to the ignition design and shown to meet the required sensitivity and accuracy. In addition, a roll-up of all expected random and systematic uncertainties in setting themore » key ignition laser and target parameters due to residual measurement, calibration, cross-coupling, surrogacy, and scale-up errors has been derived that meets the required budget.« less

Capsule performance optimization in the national ignition campaign

NASA Astrophysics Data System (ADS)

Landen, O. L.; MacGowan, B. J.; Haan, S. W.; Edwards, J.

2010-08-01

A capsule performance optimization campaign will be conducted at the National Ignition Facility [1] to substantially increase the probability of ignition. The campaign will experimentally correct for residual uncertainties in the implosion and hohlraum physics used in our radiation-hydrodynamic computational models before proceeding to cryogenic-layered implosions and ignition attempts. The required tuning techniques using a variety of ignition capsule surrogates have been demonstrated at the Omega facility under scaled hohlraum and capsule conditions relevant to the ignition design and shown to meet the required sensitivity and accuracy. In addition, a roll-up of all expected random and systematic uncertainties in setting the key ignition laser and target parameters due to residual measurement, calibration, cross-coupling, surrogacy, and scale-up errors has been derived that meets the required budget.

Maximizing fluorescence collection efficiency in multiphoton microscopy

PubMed Central

Zinter, Joseph P.; Levene, Michael J.

2011-01-01

Understanding fluorescence propagation through a multiphoton microscope is of critical importance in designing high performance systems capable of deep tissue imaging. Optical models of a scattering tissue sample and the Olympus 20X 0.95NA microscope objective were used to simulate fluorescence propagation as a function of imaging depth for physiologically relevant scattering parameters. The spatio-angular distribution of fluorescence at the objective back aperture derived from these simulations was used to design a simple, maximally efficient post-objective fluorescence collection system. Monte Carlo simulations corroborated by data from experimental tissue phantoms demonstrate collection efficiency improvements of 50% – 90% over conventional, non-optimized fluorescence collection geometries at large imaging depths. Imaging performance was verified by imaging layer V neurons in mouse cortex to a depth of 850 μm. PMID:21934897

Does computer-synthesized speech manifest personality? Experimental tests of recognition, similarity-attraction, and consistency-attraction.

PubMed

Nass, C; Lee, K M

2001-09-01

Would people exhibit similarity-attraction and consistency-attraction toward unambiguously computer-generated speech even when personality is clearly not relevant? In Experiment 1, participants (extrovert or introvert) heard a synthesized voice (extrovert or introvert) on a book-buying Web site. Participants accurately recognized personality cues in text to speech and showed similarity-attraction in their evaluation of the computer voice, the book reviews, and the reviewer. Experiment 2, in a Web auction context, added personality of the text to the previous design. The results replicated Experiment 1 and demonstrated consistency (voice and text personality)-attraction. To maximize liking and trust, designers should set parameters, for example, words per minute or frequency range, that create a personality that is consistent with the user and the content being presented.

Coaxial airblast atomizers

NASA Technical Reports Server (NTRS)

Hardalupas, Y.; Whitelaw, J. H.

1993-01-01

An experimental investigation was performed to quantify the characteristics of the sprays of coaxial injectors with particular emphasis on those aspects relevant to the performance of rocket engines. Measurements for coaxial air blast atomizers were obtained using air to represent the gaseous stream and water to represent the liquid stream. A wide range of flow conditions were examined for sprays with and without swirl for gaseous streams. The parameters varied include Weber number, gas flow rate, liquid flow rate, swirl, and nozzle geometry. Measurements were made with a phase Doppler velocimeter. Major conclusions of the study focused upon droplet size as a function of Weber number, effect of gas flow rate on atomization and spray spread, effect of nozzle geometry on atomization and spread, effect of swirl on atomization, spread, jet recirculation and breakup, and secondary atomization.

Laboratory simulation of the interaction between a tethered satellite system and the ionosphere

NASA Astrophysics Data System (ADS)

Vannaroni, G.; Giovi, R.; de Venuto, F.

1992-10-01

The authors report on the measurements performed in the IFSI/CNR plasma chamber at Frascati related to the laboratory investigation of the interaction between a plasma source and an ambient plasma of ionospheric type. Such an interaction is of relevant interest for the possibility of using electrodynamic tethered satellite systems, orbiting at ionospheric altitude, for generating electric power or propulsion in space. The interaction region was analyzed at various conditions of ambient magnetic field (/0-0.5/ G) and at different polarization levels of the plasma source (/0-40/ V). The plasma measurements were carried out with a diagnostic system using an array of Langmuir probes movable in the chamber so that a map of the plasma parameters could be obtained at the different experimental conditions.

Stabilization of beam-weibel instability by equilibrium density ripples

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

Mishra, S. K., E-mail: nishfeb@gmail.com; Kaw, Predhiman; Das, A.

In this paper, we present an approach to achieve suppression/complete stabilization of the transverse electromagnetic beam Weibel instability in counter streaming electron beams by modifying the background plasma with an equilibrium density ripple, shorter than the skin depth; this weakening is more pronounced when thermal effects are included. On the basis of a linear two stream fluid model, it is shown that the growth rate of transverse electromagnetic instabilities can be reduced to zero value provided certain threshold values for ripple parameters are exceeded. We point out the relevance of the work to recent experimental investigations on sustained (long length)more » collimation of fast electron beams and integral beam transport for laser induced fast ignition schemes, where beam divergence is suppressed with the assistance of carbon nano-tubes.« less

Calibration-free quantitative surface topography reconstruction in scanning electron microscopy.

PubMed

Faber, E T; Martinez-Martinez, D; Mansilla, C; Ocelík, V; Hosson, J Th M De

2015-01-01

This work presents a new approach to obtain reliable surface topography reconstructions from 2D Scanning Electron Microscopy (SEM) images. In this method a set of images taken at different tilt angles are compared by means of digital image correlation (DIC). It is argued that the strength of the method lies in the fact that precise knowledge about the nature of the rotation (vector and/or magnitude) is not needed. Therefore, the great advantage is that complex calibrations of the measuring equipment are avoided. The paper presents the necessary equations involved in the methods, including derivations and solutions. The method is illustrated with examples of 3D reconstructions followed by a discussion on the relevant experimental parameters. Copyright © 2014 Elsevier B.V. All rights reserved.

Parametric study of the swimming performance of a fish robot propelled by a flexible caudal fin.

PubMed

Low, K H; Chong, C W

2010-12-01

In this paper, we aim to study the swimming performance of fish robots by using a statistical approach. A fish robot employing a carangiform swimming mode had been used as an experimental platform for the performance study. The experiments conducted aim to investigate the effect of various design parameters on the thrust capability of the fish robot with a flexible caudal fin. The controllable parameters associated with the fin include frequency, amplitude of oscillation, aspect ratio and the rigidity of the caudal fin. The significance of these parameters was determined in the first set of experiments by using a statistical approach. A more detailed parametric experimental study was then conducted with only those significant parameters. As a result, the parametric study could be completed with a reduced number of experiments and time spent. With the obtained experimental result, we were able to understand the relationship between various parameters and a possible adjustment of parameters to obtain a higher thrust. The proposed statistical method for experimentation provides an objective and thorough analysis of the effects of individual or combinations of parameters on the swimming performance. Such an efficient experimental design helps to optimize the process and determine factors that influence variability.

Transfer characteristics of optical profilers with respect to rectangular edge and step height measurement

NASA Astrophysics Data System (ADS)

Xie, Weichang; Hagemeier, Sebastian; Bischoff, Jörg; Mastylo, Rostyslav; Manske, Eberhard; Lehmann, Peter

2017-06-01

Optical profilers are mature instruments used in research and industry to study surface topography features. Although the corresponding standards are based on simple step height measurements, in practical applications these instruments are often used to study the fidelity of surface topography. In this context it is well-known that in certain situations a surface profile obtained by an optical profiler will differ from the real profile. With respect to practical applications such deviations often occur in the vicinity of steep walls and in cases of high aspect ratio. In this contribution we compare the transfer characteristics of different 3D optical profiler principles, namely white-light interferometry, focus sensing, and confocal microscopy. Experimental results demonstrate that the transfer characteristics do not only depend on the parameters of the optical measurement system (e. g. wavelength and coherence of light, numerical aperture, evaluated signal feature, polarization) but also on the properties of the measuring object such as step height, aspect ratio, material properties and homogeneity, rounding and steepness of the edges, surface roughness. As a result, typical artefacts such as batwings occur for certain parameter combinations, particularly at certain height-to-wavelength ratio (HWR) values. Understanding of the mechanisms behind these phenomena enables to reduce them by an appropriate parameter adaption. However, it is not only the edge artefacts, but also the position of an edge that may be changed due to the properties of the measuring object. In order to investigate the relevant effects theoretically, several models are introduced. These are based on either an extension of Richards-Wolf modeling or rigorous coupled wave analysis (RCWA). Although these models explain the experimental effects quite well they suffer from different limitations, so that a quantitative correspondence of theoretical modeling and experimental results is hard to achieve. Nevertheless, these models are used to study the characteristics of the measured signals occurring at edges of different step height compared to signals occurring at plateaus. Moreover, a special calibration sample with continuous step height variation was developed to reduce the impact of unknown sample properties. We analyzed the signals in both, the spatial and the spatial frequency domain, and found systematic signal changes that will be discussed. As a consequence, these simulations will help to interpret measurement results appropriately and to improve them by proper parameter settings and calibration and finally to increase the edge detection accuracy.

A versatile mathematical work-flow to explore how Cancer Stem Cell fate influences tumor progression.

PubMed

Fornari, Chiara; Balbo, Gianfranco; Halawani, Sami M; Ba-Rukab, Omar; Ahmad, Ab Rahman; Calogero, Raffaele A; Cordero, Francesca; Beccuti, Marco

2015-01-01

Nowadays multidisciplinary approaches combining mathematical models with experimental assays are becoming relevant for the study of biological systems. Indeed, in cancer research multidisciplinary approaches are successfully used to understand the crucial aspects implicated in tumor growth. In particular, the Cancer Stem Cell (CSC) biology represents an area particularly suited to be studied through multidisciplinary approaches, and modeling has significantly contributed to pinpoint the crucial aspects implicated in this theory. More generally, to acquire new insights on a biological system it is necessary to have an accurate description of the phenomenon, such that making accurate predictions on its future behaviors becomes more likely. In this context, the identification of the parameters influencing model dynamics can be advantageous to increase model accuracy and to provide hints in designing wet experiments. Different techniques, ranging from statistical methods to analytical studies, have been developed. Their applications depend on case-specific aspects, such as the availability and quality of experimental data, and the dimension of the parameter space. The study of a new model on the CSC-based tumor progression has been the motivation to design a new work-flow that helps to characterize possible system dynamics and to identify those parameters influencing such behaviors. In detail, we extended our recent model on CSC-dynamics creating a new system capable of describing tumor growth during the different stages of cancer progression. Indeed, tumor cells appear to progress through lineage stages like those of normal tissues, being their division auto-regulated by internal feedback mechanisms. These new features have introduced some non-linearities in the model, making it more difficult to be studied by solely analytical techniques. Our new work-flow, based on statistical methods, was used to identify the parameters which influence the tumor growth. The effectiveness of the presented work-flow was firstly verified on two well known models and then applied to investigate our extended CSC model. We propose a new work-flow to study in a practical and informative way complex systems, allowing an easy identification, interpretation, and visualization of the key model parameters. Our methodology is useful to investigate possible model behaviors and to establish factors driving model dynamics. Analyzing our new CSC model guided by the proposed work-flow, we found that the deregulation of CSC asymmetric proliferation contributes to cancer initiation, in accordance with several experimental evidences. Specifically, model results indicated that the probability of CSC symmetric proliferation is responsible of a switching-like behavior which discriminates between tumorigenesis and unsustainable tumor growth.

Oxidative DNA damage background estimated by a system model of base excision repair

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

Sokhansanj, B A; Wilson, III, D M

Human DNA can be damaged by natural metabolism through free radical production. It has been suggested that the equilibrium between innate damage and cellular DNA repair results in an oxidative DNA damage background that potentially contributes to disease and aging. Efforts to quantitatively characterize the human oxidative DNA damage background level based on measuring 8-oxoguanine lesions as a biomarker have led to estimates varying over 3-4 orders of magnitude, depending on the method of measurement. We applied a previously developed and validated quantitative pathway model of human DNA base excision repair, integrating experimentally determined endogenous damage rates and model parametersmore » from multiple sources. Our estimates of at most 100 8-oxoguanine lesions per cell are consistent with the low end of data from biochemical and cell biology experiments, a result robust to model limitations and parameter variation. Our results show the power of quantitative system modeling to interpret composite experimental data and make biologically and physiologically relevant predictions for complex human DNA repair pathway mechanisms and capacity.« less

Complex magnetic orders in small cobalt-benzene molecules.

PubMed

González, J W; Alonso-Lanza, T; Delgado, F; Aguilera-Granja, F; Ayuela, A

2017-06-07

Organometallic clusters based on transition metal atoms are interesting because of their possible applications in spintronics and quantum information processing. In addition to the enhanced magnetism at the nanoscale, the organic ligands may provide a natural shield against unwanted magnetic interactions with the matrices required for applications. Here we show that the organic ligands may lead to non-collinear magnetic order as well as the expected quenching of the magnetic moments. We use different density functional theory (DFT) methods to study the experimentally relevant three cobalt atoms surrounded by benzene rings (Co 3 Bz 3 ). We found that the benzene rings induce a ground state with non-collinear magnetization, with the magnetic moments localized on the cobalt centers and lying on the plane formed by the three cobalt atoms. We further analyze the magnetism of such a cluster using an anisotropic Heisenberg model where the involved parameters are obtained by a comparison with the DFT results. These results may also explain the recent observation of the null magnetic moment of Co 3 Bz 3 + . Moreover, we propose an additional experimental verification based on electron paramagnetic resonance.

Use Of Zernike Polynomials And Interferometry In The Optical Design And Assembly Of Large Carbon-Dioxide Laser Systems

NASA Astrophysics Data System (ADS)

Viswanathan, V. K.

1982-02-01

This paper describes the need for non-raytracing schemes in the optical design and analysis of large carbon-dioxide lasers like the Gigawatt,1 Gemini, 2 and Helios3 lasers currently operational at Los Alamos, and the Antares 4 laser fusion system under construction. The scheme currently used at Los Alamos involves characterizing the various optical components with a Zernike polynomial sets obtained by the digitization6 of experimentally produced interferograms of the components. A Fast Fourier Transform code then propagates the complex amplitude and phase of the beam through the whole system and computes the optical parameters of interest. The analysis scheme is illustrated through examples of the Gigawatt, Gemini, and Helios systems. A possible way of using the Zernike polynomials in optical design problems of this type is discussed. Comparisons between the computed values and experimentally obtained results are made and it is concluded that this appears to be a valid approach. As this is a review article, some previously published results are also used where relevant.

Beam-Plasma Interaction Experiments on the Princeton Advanced Test Stand

NASA Astrophysics Data System (ADS)

Stepanov, A.; Gilson, E. P.; Grisham, L.; Kaganovich, I. D.; Davidson, R. C.

2011-10-01

The Princeton Advanced Test Stand (PATS) is a compact experimental facility for studying the fundamental physics of intense beam-plasma interactions relevant to the Neutralized Drift Compression Experiment - II (NDCX-II). The PATS facility consists of a 100 keV ion beam source mounted on a six-foot-long vacuum chamber with numerous ports for diagnostic access. A 100 keV Ar+ beam is launched into a volumetric plasma, which is produced by a ferroelectric plasma source (FEPS). Beam diagnostics upstream and downstream of the FEPS allow for detailed studies of the effects that the plasma has on the beam. This setup is designed for studying the dependence of charge and current neutralization and beam emittance growth on the beam and plasma parameters. This work reports initial measurements of beam quality produced by the extraction electrodes that were recently installed on the PATS device. The transverse beam phase space is measured with double-slit emittance scanners, and the experimental results are compared to WARP simulations of the extraction system. This research is supported by the U.S. Department of Energy.

Promp photon yield and υ2 coefficent from gluon fusion induced by magnetic field in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Castaño-Yepes, Jorge David; Ayala, Alejandro; Dominguez, C. A.; Hernández, L. A.; Hernández-Ortíz, Saúl; Tejeda-Yeomans, María Elena

2018-01-01

We compute the production of prompt photons and the υ2 harmonic coefficient in relativistic heavy-ion collisions induced by gluon fusion in the presence of an intense magnetic field, during the early stages of the reaction. The calculations take into account several parameters which are relevant to the description of the experimental transverse momentum distribution, and elliptic flow for RHIC and LHC energies. The main imput is the strenght of the magnetic field which varies in magnitude from 1 to 3 times the pion mass squared, and allows the gluon fusion that otherwise is forbidden in the absence of the field. The high gluon occupation number and the value of the saturation scale also play an important role in our calculation, as well as a flow velocity and geometrical factors. Our results support the idea that the origin of at least some of the photon excess observed in heavy-ion experiments may arise from magnetic field induced processes, and gives a good description of the experimental data.

Speaker gender identification based on majority vote classifiers

NASA Astrophysics Data System (ADS)

Mezghani, Eya; Charfeddine, Maha; Nicolas, Henri; Ben Amar, Chokri

2017-03-01

Speaker gender identification is considered among the most important tools in several multimedia applications namely in automatic speech recognition, interactive voice response systems and audio browsing systems. Gender identification systems performance is closely linked to the selected feature set and the employed classification model. Typical techniques are based on selecting the best performing classification method or searching optimum tuning of one classifier parameters through experimentation. In this paper, we consider a relevant and rich set of features involving pitch, MFCCs as well as other temporal and frequency-domain descriptors. Five classification models including decision tree, discriminant analysis, nave Bayes, support vector machine and k-nearest neighbor was experimented. The three best perming classifiers among the five ones will contribute by majority voting between their scores. Experimentations were performed on three different datasets spoken in three languages: English, German and Arabic in order to validate language independency of the proposed scheme. Results confirm that the presented system has reached a satisfying accuracy rate and promising classification performance thanks to the discriminating abilities and diversity of the used features combined with mid-level statistics.

Magnetized Collisionless Shock Studies Using High Velocity Plasmoids

NASA Astrophysics Data System (ADS)

Weber, Thomas; Intrator, T.

2013-04-01

Magnetized collisionless shocks are ubiquitous throughout the cosmos and are observed to accelerate particles to relativistic velocities, amplify magnetic fields, transport energy, and create non-thermal distributions. They exhibit transitional scale lengths much shorter than the collisional mean free path and are mediated by collective interactions rather than Coulomb collisions. The Magnetized Shock Experiment (MSX) leverages advances in Field Reversed Configuration (FRC) plasmoid formation and acceleration to produce highly supersonic and super-Alfvénic supercritical shocks with pre-existing magnetic field at perpendicular, parallel or oblique angles to the direction of propagation. Adjustable shock speed, density, and magnetic field provide unique access to a range of parameter space relevant to a variety of naturally occurring shocks. This effort examines experimentally, analytically, and numerically the physics of collisionless shock formation, structure, and kinetic effects in a laboratory setting and draw comparisons between experimental data and astronomical observations. Supported by DOE Office of Fusion Energy Sciences and National Nuclear Security Administration under LANS contract DE-AC52-06NA25369 Approved for Public Release: LA-UR-12-22886

Aerodynamics and Heat Transfer Studies of Parameters Specific to the IGCC-Requirements: Endwall Contouring, Leading Edge and Blade Tip Ejection under Rotating Turbine Conditions

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

Schobeiri, Meinhard; Han, Je-Chin

2014-09-30

This report deals with the specific aerodynamics and heat transfer problematic inherent to high pressure (HP) turbine sections of IGCC-gas turbines. Issues of primary relevance to a turbine stage operating in an IGCC-environment are: (1) decreasing the strength of the secondary flow vortices at the hub and tip regions to reduce (a), the secondary flow losses and (b), the potential for end wall deposition, erosion and corrosion due to secondary flow driven migration of gas flow particles to the hub and tip regions, (2) providing a robust film cooling technology at the hub and that sustains high cooling effectiveness lessmore » sensitive to deposition, (3) investigating the impact of blade tip geometry on film cooling effectiveness. The document includes numerical and experimental investigations of above issues. The experimental investigations were performed in the three-stage multi-purpose turbine research facility at the Turbomachinery Performance and Flow Research Laboratory (TPFL), Texas A&M University. For the numerical investigations a commercial Navier-Stokes solver was utilized.« less

MICROANALYSIS OF MATERIALS USING SYNCHROTRON RADIATION.

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

JONES,K.W.; FENG,H.

2000-12-01

High intensity synchrotron radiation produces photons with wavelengths that extend from the infrared to hard x rays with energies of hundreds of keV with uniquely high photon intensities that can be used to determine the composition and properties of materials using a variety of techniques. Most of these techniques represent extensions of earlier work performed with ordinary tube-type x-ray sources. The properties of the synchrotron source such as the continuous range of energy, high degree of photon polarization, pulsed beams, and photon flux many orders of magnitude higher than from x-ray tubes have made possible major advances in the possiblemore » chemical applications. We describe here ways that materials analyses can be made using the high intensity beams for measurements with small beam sizes and/or high detection sensitivity. The relevant characteristics of synchrotron x-ray sources are briefly summarized to give an idea of the x-ray parameters to be exploited. The experimental techniques considered include x-ray fluorescence, absorption, and diffraction. Examples of typical experimental apparatus used in these experiments are considered together with descriptions of actual applications.« less

The scaling of electron and positron generation in intense laser-solid interactions

DOE PAGES

Chen, Hui; Link, A.; Sentoku, Y.; ...

2015-05-27

This study presents experimental scalings of the electrons and positrons produced by intense laser-target interactions at relativistic laser intensities (10 18–10 20 W cm -2). The data were acquired from three short-pulse laser facilities with laser energies ranging from 80 to 1500 J. We found a non-linear (≈E L 2) scaling of positron yield [Chen et al., Phys. Rev. Lett. 114, 215001 (2015)] and a linear scaling of electron yield with the laser energy. These scalings are explained by theoretical and numerical analyses. Positron acceleration by the target sheath field is confirmed by the positron energy spectrum, which has amore » pronounced peak at energies near the sheath potential, as determined by the observed maximum energies of accelerated protons. The parameters of laser-produced electron-positron jets are summarized together with the theoretical energy scaling. Finally, the measured energy-squared scaling of relativistic electron-positron jets indicates the possibility to create an astrophysically relevant experimental platform with such jets using multi-kilojoule high intensity lasers currently under construction.« less

The scaling of electron and positron generation in intense laser-solid interactions

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

Chen, Hui; Link, A.; Fiuza, F.

2015-05-15

This paper presents experimental scalings of the electrons and positrons produced by intense laser-target interactions at relativistic laser intensities (10{sup 18}–10{sup 20} W cm{sup −2}). The data were acquired from three short-pulse laser facilities with laser energies ranging from 80 to 1500 J. We found a non-linear (≈E{sub L}{sup 2}) scaling of positron yield [Chen et al., Phys. Rev. Lett. 114, 215001 (2015)] and a linear scaling of electron yield with the laser energy. These scalings are explained by theoretical and numerical analyses. Positron acceleration by the target sheath field is confirmed by the positron energy spectrum, which has a pronouncedmore » peak at energies near the sheath potential, as determined by the observed maximum energies of accelerated protons. The parameters of laser-produced electron-positron jets are summarized together with the theoretical energy scaling. The measured energy-squared scaling of relativistic electron-positron jets indicates the possibility to create an astrophysically relevant experimental platform with such jets using multi-kilojoule high intensity lasers currently under construction.« less

Validation of design procedure and performance modeling of a heat and fluid transport field experiment in the unsaturated zone

NASA Astrophysics Data System (ADS)

Nir, A.; Doughty, C.; Tsang, C. F.

Validation methods which developed in the context of deterministic concepts of past generations often cannot be directly applied to environmental problems, which may be characterized by limited reproducibility of results and highly complex models. Instead, validation is interpreted here as a series of activities, including both theoretical and experimental tests, designed to enhance our confidence in the capability of a proposed model to describe some aspect of reality. We examine the validation process applied to a project concerned with heat and fluid transport in porous media, in which mathematical modeling, simulation, and results of field experiments are evaluated in order to determine the feasibility of a system for seasonal thermal energy storage in shallow unsaturated soils. Technical details of the field experiments are not included, but appear in previous publications. Validation activities are divided into three stages. The first stage, carried out prior to the field experiments, is concerned with modeling the relevant physical processes, optimization of the heat-exchanger configuration and the shape of the storage volume, and multi-year simulation. Subjects requiring further theoretical and experimental study are identified at this stage. The second stage encompasses the planning and evaluation of the initial field experiment. Simulations are made to determine the experimental time scale and optimal sensor locations. Soil thermal parameters and temperature boundary conditions are estimated using an inverse method. Then results of the experiment are compared with model predictions using different parameter values and modeling approximations. In the third stage, results of an experiment performed under different boundary conditions are compared to predictions made by the models developed in the second stage. Various aspects of this theoretical and experimental field study are described as examples of the verification and validation procedure. There is no attempt to validate a specific model, but several models of increasing complexity are compared with experimental results. The outcome is interpreted as a demonstration of the paradigm proposed by van der Heijde, 26 that different constituencies have different objectives for the validation process and therefore their acceptance criteria differ also.

Design of experiments for identification of complex biochemical systems with applications to mitochondrial bioenergetics.

PubMed

Vinnakota, Kalyan C; Beard, Daniel A; Dash, Ranjan K

2009-01-01

Identification of a complex biochemical system model requires appropriate experimental data. Models constructed on the basis of data from the literature often contain parameters that are not identifiable with high sensitivity and therefore require additional experimental data to identify those parameters. Here we report the application of a local sensitivity analysis to design experiments that will improve the identifiability of previously unidentifiable model parameters in a model of mitochondrial oxidative phosphorylation and tricaboxylic acid cycle. Experiments were designed based on measurable biochemical reactants in a dilute suspension of purified cardiac mitochondria with experimentally feasible perturbations to this system. Experimental perturbations and variables yielding the most number of parameters above a 5% sensitivity level are presented and discussed.

Translational Rodent Paradigms to Investigate Neuromechanisms Underlying Behaviors Relevant to Amotivation and Altered Reward Processing in Schizophrenia.

PubMed

Young, Jared W; Markou, Athina

2015-09-01

Amotivation and reward-processing deficits have long been described in patients with schizophrenia and considered large contributors to patients' inability to integrate well in society. No effective treatments exist for these symptoms, partly because the neuromechanisms mediating such symptoms are poorly understood. Here, we propose a translational neuroscientific approach that can be used to assess reward/motivational deficits related to the negative symptoms of schizophrenia using behavioral paradigms that can also be conducted in experimental animals. By designing and using objective laboratory behavioral tools that are parallel in their parameters in rodents and humans, the neuromechanisms underlying behaviors with relevance to these symptoms of schizophrenia can be investigated. We describe tasks that measure the motivation of rodents to expend physical and cognitive effort to gain rewards, as well as probabilistic learning tasks that assess both reward learning and feedback-based decision making. The latter tasks are relevant because of demonstrated links of performance deficits correlating with negative symptoms in patients with schizophrenia. These tasks utilize operant techniques in order to investigate neural circuits targeting a specific domain across species. These tasks therefore enable the development of insights into altered mechanisms leading to negative symptom-relevant behaviors in patients with schizophrenia. Such findings will then enable the development of targeted treatments for these altered neuromechanisms and behaviors seen in schizophrenia. © The Author 2015. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.

The Design of PSB-VVER Experiments Relevant to Accident Management

NASA Astrophysics Data System (ADS)

Nevo, Alessandro Del; D'Auria, Francesco; Mazzini, Marino; Bykov, Michael; Elkin, Ilya V.; Suslov, Alexander

Experimental programs carried-out in integral test facilities are relevant for validating the best estimate thermal-hydraulic codes(1), which are used for accident analyses, design of accident management procedures, licensing of nuclear power plants, etc. The validation process, in fact, is based on well designed experiments. It consists in the comparison of the measured and calculated parameters and the determination whether a computer code has an adequate capability in predicting the major phenomena expected to occur in the course of transient and/or accidents. University of Pisa was responsible of the numerical design of the 12 experiments executed in PSB-VVER facility (2), operated at Electrogorsk Research and Engineering Center (Russia), in the framework of the TACIS 2.03/97 Contract 3.03.03 Part A, EC financed (3). The paper describes the methodology adopted at University of Pisa, starting form the scenarios foreseen in the final test matrix until the execution of the experiments. This process considers three key topics: a) the scaling issue and the simulation, with unavoidable distortions, of the expected performance of the reference nuclear power plants; b) the code assessment process involving the identification of phenomena challenging the code models; c) the features of the concerned integral test facility (scaling limitations, control logics, data acquisition system, instrumentation, etc.). The activities performed in this respect are discussed, and emphasis is also given to the relevance of the thermal losses to the environment. This issue affects particularly the small scaled facilities and has relevance on the scaling approach related to the power and volume of the facility.

Principles of parametric estimation in modeling language competition

PubMed Central

Zhang, Menghan; Gong, Tao

2013-01-01

It is generally difficult to define reasonable parameters and interpret their values in mathematical models of social phenomena. Rather than directly fitting abstract parameters against empirical data, we should define some concrete parameters to denote the sociocultural factors relevant for particular phenomena, and compute the values of these parameters based upon the corresponding empirical data. Taking the example of modeling studies of language competition, we propose a language diffusion principle and two language inheritance principles to compute two critical parameters, namely the impacts and inheritance rates of competing languages, in our language competition model derived from the Lotka–Volterra competition model in evolutionary biology. These principles assign explicit sociolinguistic meanings to those parameters and calculate their values from the relevant data of population censuses and language surveys. Using four examples of language competition, we illustrate that our language competition model with thus-estimated parameter values can reliably replicate and predict the dynamics of language competition, and it is especially useful in cases lacking direct competition data. PMID:23716678

Principles of parametric estimation in modeling language competition.

PubMed

Zhang, Menghan; Gong, Tao

2013-06-11

It is generally difficult to define reasonable parameters and interpret their values in mathematical models of social phenomena. Rather than directly fitting abstract parameters against empirical data, we should define some concrete parameters to denote the sociocultural factors relevant for particular phenomena, and compute the values of these parameters based upon the corresponding empirical data. Taking the example of modeling studies of language competition, we propose a language diffusion principle and two language inheritance principles to compute two critical parameters, namely the impacts and inheritance rates of competing languages, in our language competition model derived from the Lotka-Volterra competition model in evolutionary biology. These principles assign explicit sociolinguistic meanings to those parameters and calculate their values from the relevant data of population censuses and language surveys. Using four examples of language competition, we illustrate that our language competition model with thus-estimated parameter values can reliably replicate and predict the dynamics of language competition, and it is especially useful in cases lacking direct competition data.

Inferring the Chemotactic Strategy of P. putida and E. coli Using Modified Kramers-Moyal Coefficients

PubMed Central

Hintsche, Marius; Beta, Carsten; Stark, Holger

2017-01-01

Many bacteria perform a run-and-tumble random walk to explore their surrounding and to perform chemotaxis. In this article we present a novel method to infer the relevant parameters of bacterial motion from experimental trajectories including the tumbling events. We introduce a stochastic model for the orientation angle, where a shot-noise process initiates tumbles, and analytically calculate conditional moments, reminiscent of Kramers-Moyal coefficients. Matching them with the moments calculated from experimental trajectories of the bacteria E. coli and Pseudomonas putida, we are able to infer their respective tumble rates, the rotational diffusion constants, and the distributions of tumble angles in good agreement with results from conventional tumble recognizers. We also define a novel tumble recognizer, which explicitly quantifies the error in recognizing tumbles. In the presence of a chemical gradient we condition the moments on the bacterial direction of motion and thereby explore the chemotaxis strategy. For both bacteria we recover and quantify the classical chemotactic strategy, where the tumble rate is smallest along the chemical gradient. In addition, for E. coli we detect some cells, which bias their mean tumble angle towards smaller values. Our findings are supported by a scaling analysis of appropriate ratios of conditional moments, which are directly calculated from experimental data. PMID:28114420

Assessment of inlet efficiency through a 3D simulation: numerical and experimental comparison.

PubMed

Gómez, Manuel; Recasens, Joan; Russo, Beniamino; Martínez-Gomariz, Eduardo

2016-10-01

Inlet efficiency is a requirement for characterizing the flow transfers between surface and sewer flow during rain events. The dual drainage approach is based on the joint analysis of both upper and lower drainage levels, and the flow transfer is one of the relevant elements to define properly this joint behaviour. This paper presents the results of an experimental and numerical investigation about the inlet efficiency definition. A full scale (1:1) test platform located in the Technical University of Catalonia (UPC) reproduces both the runoff process in streets and the water entering the inlet. Data from tests performed on this platform allow the inlet efficiency to be estimated as a function of significant hydraulic and geometrical parameters. A reproduction of these tests through a numerical three-dimensional code (Flow-3D) has been carried out simulating this type of flow by solving the RANS equations. The aim of the work was to reproduce the hydraulic performance of a previously tested grated inlet under several flow and geometric conditions using Flow-3D as a virtual laboratory. This will allow inlet efficiencies to be obtained without previous experimental tests. Moreover, the 3D model allows a better understanding of the hydraulics of the flow interception and the flow patterns approaching the inlet.

Process auditing and performance improvement in a mixed wastewater-aqueous waste treatment plant.

PubMed

Collivignarelli, Maria Cristina; Bertanza, Giorgio; Abbà, Alessandro; Damiani, Silvestro

2018-02-01

The wastewater treatment process is based on complex chemical, physical and biological mechanisms that are closely interconnected. The efficiency of the system (which depends on compliance with national regulations on wastewater quality) can be achieved through the use of tools such as monitoring, that is the detection of parameters that allow the continuous interpretation of the current situation, and experimental tests, which allow the measurement of real performance (of a sector, a single treatment or equipment) and comparison with the following ones. Experimental tests have a particular relevance in the case of municipal wastewater treatment plants fed with a strong industrial component and especially in the case of plants authorized to treat aqueous waste. In this paper a case study is presented where the application of management tools such as careful monitoring and experimental tests led to the technical and economic optimization of the plant: the main results obtained were the reduction of sludge production (from 4,000 t/year w.w. (wet weight) to about 2,200 t/year w.w.) and operating costs (e.g. from 600,000 €/year down to about 350,000 €/year for reagents), the increase of resource recovery and the improvement of the overall process performance.

Experimental investigation of effective parameters on signal enhancement in spark assisted laser induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Hassanimatin, M. M.; Tavassoli, S. H.

2018-05-01

A combination of electrical spark and laser induced breakdown spectroscopy (LIBS), which is called spark assisted LIBS (SA-LIBS), has shown its capability in plasma spectral emission enhancement. The aim of this paper is a detailed study of plasma emission to determine the effect of plasma and experimental parameters on increasing the spectral signal. An enhancement ratio of SA-LIBS spectral lines compared with LIBS is theoretically introduced. The parameters affecting the spectral enhancement ratio including ablated mass, plasma temperature, the lifetime of neutral and ionic spectral lines, plasma volume, and electron density are experimentally investigated and discussed. By substitution of the effective parameters, the theoretical spectral enhancement ratio is calculated and compared with the experimental one. Two samples of granite as a dielectric and aluminum as a metal at different laser pulse energies are studied. There is a good agreement between the calculated and the experimental enhancement ratio.

Drilling of bone: A comprehensive review

PubMed Central

Pandey, Rupesh Kumar; Panda, S.S.

2013-01-01

Background Bone fracture treatment usually involves restoring of the fractured parts to their initial position and immobilizing them until the healing takes place. Drilling of bone is common to produce hole for screw insertion to fix the fractured parts for immobilization. Orthopaedic drilling during surgical process causes increase in the bone temperature and forces which can cause osteonecrosis reducing the stability and strength of the fixation. Methods A comprehensive review of all the relevant investigations carried on bone drilling is conducted. The experimental method used, results obtained and the conclusions made by the various researchers are described and compared. Result Review suggests that the further improvement in the area of bone drilling is possible. The systematic review identified several consequential factors (drilling parameters and drill specifications) affecting bone drilling on which there no general agreement among investigators or are not adequately evaluated. These factors are highlighted and use of more advanced methods of drilling is accentuated. The use of more precise experimental set up which resembles the actual situation and the development of automated bone drilling system to minimize human error is addressed. Conclusion In this review, an attempt has been made to systematically organize the research investigations conducted on bone drilling. Methods of treatment of bone fracture, studies on the determination of the threshold for thermal osteonecrosis, studies on the parameters influencing bone drilling and methods of the temperature measurement used are reviewed and the future work for the further improvement of bone drilling process is highlighted. PMID:26403771

Characterization of commercial magnetorheological fluids at high shear rate: influence of the gap

NASA Astrophysics Data System (ADS)

Golinelli, Nicola; Spaggiari, Andrea

2018-07-01

This paper reports the experimental tests on the behaviour of a commercial MR fluid at high shear rates and the effect of the gap. Three gaps were considered at multiple magnetic fields and shear rates. From an extended set of almost two hundred experimental flow curves, a set of parameters for the apparent viscosity are retrieved by using the Ostwald de Waele model for non-Newtonian fluids. It is possible to simplify the parameter correlation by making the following considerations: the consistency of the model depends only on the magnetic field, the flow index depends on the fluid type and the gap shows an important effect only at null or very low magnetic fields. This lead to a simple and useful model, especially in the design phase of a MR based product. During the off state, with no applied field, it is possible to use a standard viscous model. During the active state, with high magnetic field, a strong non-Newtonian nature becomes prevalent over the viscous one even at very high shear rate; the magnetic field dominates the apparent viscosity change, while the gap does not play any relevant role on the system behaviour. This simple assumption allows the designer to dimension the gap only considering the non-active state, as in standard viscous systems, and taking into account only the magnetic effect in the active state, where the gap does not change the proposed fluid model.

TAMEE: data management and analysis for tissue microarrays.

PubMed

Thallinger, Gerhard G; Baumgartner, Kerstin; Pirklbauer, Martin; Uray, Martina; Pauritsch, Elke; Mehes, Gabor; Buck, Charles R; Zatloukal, Kurt; Trajanoski, Zlatko

2007-03-07

With the introduction of tissue microarrays (TMAs) researchers can investigate gene and protein expression in tissues on a high-throughput scale. TMAs generate a wealth of data calling for extended, high level data management. Enhanced data analysis and systematic data management are required for traceability and reproducibility of experiments and provision of results in a timely and reliable fashion. Robust and scalable applications have to be utilized, which allow secure data access, manipulation and evaluation for researchers from different laboratories. TAMEE (Tissue Array Management and Evaluation Environment) is a web-based database application for the management and analysis of data resulting from the production and application of TMAs. It facilitates storage of production and experimental parameters, of images generated throughout the TMA workflow, and of results from core evaluation. Database content consistency is achieved using structured classifications of parameters. This allows the extraction of high quality results for subsequent biologically-relevant data analyses. Tissue cores in the images of stained tissue sections are automatically located and extracted and can be evaluated using a set of predefined analysis algorithms. Additional evaluation algorithms can be easily integrated into the application via a plug-in interface. Downstream analysis of results is facilitated via a flexible query generator. We have developed an integrated system tailored to the specific needs of research projects using high density TMAs. It covers the complete workflow of TMA production, experimental use and subsequent analysis. The system is freely available for academic and non-profit institutions from http://genome.tugraz.at/Software/TAMEE.

Development and Experimental Validation of Large Eddy Simulation Techniques for the Prediction of Combustion-Dynamic Process in Syngas Combustion: Characterization of Autoignition, Flashback, and Flame-Liftoff at Gas-Turbine Relevant Operating Conditions

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

Ihme, Matthias; Driscoll, James

2015-08-31

The objective of this closely coordinated experimental and computational research effort is the development of simulation techniques for the prediction of combustion processes, relevant to the oxidation of syngas and high hydrogen content (HHC) fuels at gas-turbine relevant operating conditions. Specifically, the research goals are (i) the characterization of the sensitivity of syngas ignition processes to hydrodynamic processes and perturbations in temperature and mixture composition in rapid compression machines and ow-reactors and (ii) to conduct comprehensive experimental investigations in a swirl-stabilized gas turbine (GT) combustor under realistic high-pressure operating conditions in order (iii) to obtain fundamental understanding about mechanisms controllingmore » unstable flame regimes in HHC-combustion.« less

40 CFR 63.2990 - Can I conduct short-term experimental production runs that cause parameters to deviate from...

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Can I conduct short-term experimental... Plan § 63.2990 Can I conduct short-term experimental production runs that cause parameters to deviate from operating limits? With the approval of the Administrator, you may conduct short-term experimental...